data_r5cr8sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-09-16 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5cr8 
_cell.length_a      48.6800 
_cell.length_b      47.6800 
_cell.length_c      97.5388 
_cell.angle_alpha   90.0000 
_cell.angle_beta    101.3910 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97625 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.050 
_diffrn_reflns.pdbx_d_res_low    47.809 
_diffrn_reflns.limit_h_max       23 
_diffrn_reflns.limit_h_min       -23 
_diffrn_reflns.limit_k_max       23 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       47 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            13920 
_diffrn_reflns.pdbx_number_obs   13832 
# 
_entry.id   5cr8 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5cr8 
_symmetry.space_group_name_H-M   "I 1 2 1" 
_symmetry.Int_Tables_number      4005 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-X,  Y,  -Z"             
3 "X+1/2,  Y+1/2,  Z+1/2"   
4 "-X+1/2,  Y+1/2,  -Z+1/2" 
# 
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 -23 0  1  o 131.887 43.711 66.005    27.491  66.005    27.491  66.005    27.491  131.887 43.711 131.887 43.711 -0.000000      0.000000 
1 1 1 -23 0  3  o 56.176  35.351 7.7743    22.396  7.7743    22.396  7.7743    22.396  56.176  35.351 56.176  35.351 -0.000000      0.000000 
1 1 1 -23 0  5  o 47.188  32.486 -14.5771  27.096  -14.5771  27.096  -14.5771  27.096  47.188  32.486 47.188  32.486 -0.000000      0.000000 
1 1 1 -23 0  7  o 120.071 49.583 61.845    31.665  61.845    31.665  61.845    31.665  120.071 49.583 120.071 49.583 -0.000000      0.000000 
1 1 1 -23 0  9  o 60.982  36.692 13.323    21.720  13.323    21.720  13.323    21.720  60.982  36.692 60.982  36.692 0.000000       0.000000 
1 1 1 -23 0  11 o 76.511  49.628 14.593    48.423  14.593    48.423  14.593    48.423  76.511  49.628 76.511  49.628 0.000000       0.000000 
1 1 1 -23 0  13 o 75.165  50.248 3.8179    55.819  3.8179    55.819  3.8179    55.819  75.165  50.248 75.165  50.248 0.000000       0.000000 
1 1 1 -23 0  15 o 127.276 67.336 92.561    61.560  92.561    61.560  92.561    61.560  127.276 67.336 127.276 67.336 -0.000000      0.000000 
1 1 1 -23 0  17 o 53.187  37.985 -54.5125  48.836  -54.5125  48.836  -54.5125  48.836  53.187  37.985 53.187  37.985 0.000000       0.000000 
1 1 1 -23 0  19 o 174.797 52.866 117.670   43.220  117.670   43.220  117.670   43.220  174.797 52.866 174.797 52.866 0.000000       0.000000 
1 1 1 -23 1  2  o 117.689 27.100 42.205    16.746  44.558    23.396  39.732    23.980  117.577 34.718 111.316 35.575 6.261559       49.70824 
1 1 1 -23 1  4  o 81.238  28.888 18.138    15.820  7.3136    26.720  23.981    19.631  81.090  34.657 91.206  32.207 -10.11613      47.31152 
1 1 1 -23 1  6  o 89.373  30.311 23.243    17.317  0.6905    28.526  36.404    21.792  78.721  34.696 107.968 33.843 -29.24746      48.46793 
1 1 1 -23 1  8  o 73.329  29.054 10.826    16.981  1.5273    24.411  19.545    23.638  74.427  32.467 89.155  34.587 -14.72874      47.43813 
1 1 1 -23 1  10 o 77.506  32.679 7.3372    23.214  0.0000    0.0000  7.3372    23.214  ?       ?      77.506  32.679 0.000000       32.67858 
1 1 1 -23 1  12 o 180.238 31.288 99.400    29.138  217.359   51.809  44.829    35.239  260.943 38.161 118.340 42.985 142.6029       57.48023 
1 1 1 -23 1  14 o 100.860 34.829 30.736    22.886  30.736    22.886  0.0000    0.0000  100.860 34.829 ?       ?      0.000000       34.82924 
1 1 1 -23 1  16 o 111.243 34.331 39.312    22.524  29.356    24.139  106.307   62.616  99.320  35.645 160.187 57.417 -60.86756      67.58209 
1 1 1 -23 1  18 o 96.659  33.903 28.180    21.726  21.418    23.047  82.140    65.107  89.691  34.320 142.115 56.705 -52.42369      66.28212 
1 1 1 -23 1  20 o 147.197 41.087 75.854    33.662  41.247    41.223  145.111   58.316  113.352 45.154 188.118 54.605 -74.76619      70.85609 
1 1 1 -23 2  1  o 180.622 29.573 99.937    27.646  95.506    33.826  108.852   47.979  169.670 38.116 169.388 49.634 0.2816010      62.58057 
1 1 1 -23 2  3  o 160.716 23.517 75.558    19.664  71.856    28.652  78.854    27.035  148.594 36.281 158.299 32.928 -9.704758      48.99526 
1 1 1 -23 2  5  o 59.387  25.678 0.5558    14.995  12.634    20.972  -12.0775  21.449  79.543  32.027 60.938  28.126 18.60570       42.62419 
1 1 1 -23 2  7  o 151.626 23.962 67.279    18.832  60.766    28.031  72.637    25.425  136.587 37.250 152.978 32.027 -16.39043      49.12529 
1 1 1 -23 2  9  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -23 2  11 o 80.715  32.191 13.619    20.974  21.625    48.515  11.778    23.259  107.535 46.343 81.339  33.363 26.19555       57.10302 
1 1 1 -23 2  13 o 72.592  30.369 6.7472    19.802  14.229    21.079  -49.4357  57.765  81.343  32.326 87.068  41.913 -5.724594      52.93038 
1 1 1 -23 2  15 o 139.472 29.403 59.667    21.293  40.786    22.636  204.850   62.766  113.256 34.315 237.261 50.871 -124.0053      61.36224 
1 1 1 -23 2  17 o 83.528  32.901 16.342    21.659  8.2660    23.397  64.715    57.262  77.822  32.809 132.868 53.124 -55.04580      62.43851 
1 1 1 -23 2  19 o 112.886 47.858 35.461    50.230  28.253    59.432  53.484    93.978  112.666 49.847 130.038 59.599 -17.37129      77.69647 
1 1 1 -23 3  2  o 108.498 28.504 36.406    16.796  22.178    24.973  48.155    22.695  91.736  35.561 122.378 33.577 -30.64185      48.90758 
1 1 1 -23 3  4  o 138.609 31.724 60.198    23.066  51.415    26.916  84.475    44.751  125.115 37.310 151.248 48.626 -26.13253      61.29000 
1 1 1 -23 3  6  o 110.282 32.460 38.120    20.480  199.609   60.541  17.252    21.763  236.541 49.336 84.986  33.126 151.5546       59.42510 
1 1 1 -23 3  8  o 59.376  26.173 -1.9345   16.236  -1.8237   22.771  -2.0491   23.155  69.707  30.847 70.081  31.055 -0.3745346     43.77153 
1 1 1 -23 3  10 o 223.849 28.995 150.094   33.980  150.094   33.980  0.0000    0.0000  223.849 28.995 ?       ?      0.000000       28.99497 
1 1 1 -23 3  12 o 84.947  34.709 13.994    25.054  8.7297    27.806  36.709    57.759  83.422  35.496 119.259 50.962 -35.83614      62.10534 
1 1 1 -23 3  14 f 83.665  32.727 16.461    21.299  17.843    22.115  -1.2496   79.152  85.805  33.407 113.271 52.875 -27.46556      62.54446 
1 1 1 -23 3  16 o 78.987  32.659 10.659    22.521  3.3155    23.496  93.684    79.004  74.059  32.082 147.675 61.124 -73.61623      69.03227 
1 1 1 -23 3  18 o 212.977 40.229 152.173   44.251  152.173   44.251  0.0000    0.0000  212.977 40.229 ?       ?      0.000000       40.22873 
1 1 1 -23 4  1  o 176.156 27.011 93.617    24.696  113.899   52.042  87.722    28.056  168.957 52.192 166.328 32.628 2.628754       61.55112 
1 1 1 -23 4  3  o 187.352 43.136 121.446   42.432  69.335    60.022  173.507   59.993  135.227 54.275 212.967 52.805 -77.73953      75.72369 
1 1 1 -23 4  5  o 178.639 32.498 99.458    29.978  101.975   34.932  92.427    58.394  176.470 38.042 151.803 55.304 24.66719       67.12510 
1 1 1 -23 4  7  o 68.679  28.094 7.4676    16.436  7.3677    23.723  7.5599    22.794  77.785  32.928 76.869  32.394 0.9161835      46.19166 
1 1 1 -23 4  9  o 119.482 36.323 46.070    25.332  51.034    28.184  25.199    57.792  124.644 38.392 113.438 49.708 11.20635       62.80786 
1 1 1 -23 4  11 o 54.698  25.655 -15.6831  19.011  -15.6831  19.011  0.0000    0.0000  54.698  25.655 ?       ?      0.000000       25.65541 
1 1 1 -23 4  13 o 65.235  29.283 -4.8650   21.290  -8.1165   22.781  17.576    59.847  65.328  29.712 110.589 49.407 -45.26062      57.65302 
1 1 1 -23 4  15 o 88.996  33.913 20.924    22.446  19.876    23.396  33.044    79.559  88.581  34.397 123.073 55.800 -34.49171      65.55018 
1 1 1 -23 4  17 o 139.845 35.319 63.912    26.487  65.582    27.833  47.884    86.230  140.836 36.546 127.952 58.044 12.88445       68.59032 
1 1 1 -23 5  4  o 153.698 23.763 69.558    18.950  85.836    27.356  54.543    26.274  165.525 31.984 128.591 36.444 36.93384       48.48845 
1 1 1 -23 5  6  o 112.826 35.412 40.898    23.851  50.829    26.277  -5.5773   56.844  124.432 36.808 99.200  45.787 25.23119       58.74776 
1 1 1 -23 5  8  o 120.457 35.266 46.842    24.232  34.384    26.467  111.382   60.242  105.503 37.381 164.863 56.532 -59.36030      67.77325 
1 1 1 -23 5  10 o 93.289  33.928 24.871    21.963  33.137    23.455  -33.9633  62.577  103.515 35.276 94.305  44.916 9.209976       57.11224 
1 1 1 -23 5  12 o 126.087 37.311 52.318    26.995  52.318    26.995  0.0000    0.0000  126.087 37.311 ?       ?      0.000000       37.31067 
1 1 1 -23 5  14 o 145.094 40.393 71.751    32.579  71.942    36.400  70.984    73.041  142.907 43.563 136.701 57.819 6.206177       72.39304 
1 1 1 -22 0  2  o 179.267 32.681 99.454    28.320  99.454    28.320  99.454    28.320  179.267 32.681 179.267 32.681 0.000000       0.000000 
1 1 1 -22 0  4  o 176.262 34.997 97.938    29.379  97.938    29.379  97.938    29.379  176.262 34.997 176.262 34.997 -0.000000      0.000000 
1 1 1 -22 0  6  o 164.090 34.440 85.449    26.683  85.449    26.683  85.449    26.683  164.090 34.440 164.090 34.440 -0.000000      0.000000 
1 1 1 -22 0  8  f 283.343 39.934 247.917   57.196  247.917   57.196  247.917   57.196  283.343 39.934 283.343 39.934 0.000000       0.000000 
1 1 1 -22 0  10 o 169.316 39.906 94.633    31.464  94.633    31.464  94.633    31.464  169.316 39.906 169.316 39.906 -0.000000      0.000000 
1 1 1 -22 0  12 o 252.891 40.087 199.648   50.263  199.648   50.263  199.648   50.263  252.891 40.087 252.891 40.087 0.000000       0.000000 
1 1 1 -22 0  14 o 98.338  44.022 41.346    24.721  41.346    24.721  41.346    24.721  98.338  44.022 98.338  44.022 0.000000       0.000000 
1 1 1 -22 0  16 o 167.207 63.746 120.602   53.818  120.602   53.818  120.602   53.818  167.207 63.746 167.207 63.746 0.000000       0.000000 
1 1 1 -22 0  18 o 110.649 53.973 57.930    37.744  57.930    37.744  57.930    37.744  110.649 53.973 110.649 53.973 -0.000000      0.000000 
1 1 1 -22 0  20 o 75.272  46.258 21.073    36.126  21.073    36.126  21.073    36.126  75.272  46.258 75.272  46.258 0.000000       0.000000 
1 1 1 -22 0  22 f 65.112  44.449 -12.3368  48.354  -12.3368  48.354  -12.3368  48.354  65.112  44.449 65.112  44.449 0.000000       0.000000 
1 1 1 -22 0  24 o 131.999 58.168 82.454    43.186  82.454    43.186  82.454    43.186  131.999 58.168 131.999 58.168 -0.000000      0.000000 
1 1 1 -22 0  26 o 123.666 61.712 82.602    49.806  82.602    49.806  82.602    49.806  123.666 61.712 123.666 61.712 -0.000000      0.000000 
1 1 1 -22 1  1  o 143.789 29.821 62.774    22.235  62.949    25.606  62.239    44.829  141.636 34.125 135.067 48.564 6.568619       59.35487 
1 1 1 -22 1  3  o 169.571 25.576 83.964    22.529  58.341    26.497  150.820   42.800  135.814 35.860 218.975 37.825 -83.16150      52.12159 
1 1 1 -22 1  5  f 185.322 20.947 97.343    20.447  138.883   30.308  62.644    27.700  218.524 26.405 140.780 36.423 77.74371       44.98706 
1 1 1 -22 1  7  o 75.472  30.724 9.2380    19.540  0.0000    0.0000  9.2380    19.540  ?       ?      75.472  30.724 0.000000       30.72416 
1 1 1 -22 1  9  o 39.540  18.950 -15.3423  11.515  -4.5475   17.268  -23.9870  15.453  59.591  26.587 43.769  21.218 15.82138       34.01583 
1 1 1 -22 1  11 o 62.469  26.202 3.4153    14.799  13.035    18.503  -13.6655  24.656  78.276  30.535 65.746  30.278 12.52925       43.00149 
1 1 1 -22 1  13 o 197.426 22.959 111.445   23.848  114.979   28.972  104.021   41.995  197.613 28.141 176.547 44.409 21.06653       52.57421 
1 1 1 -22 1  15 o 103.132 42.576 22.210    38.186  32.613    53.880  11.712    54.127  118.417 49.849 107.949 47.675 10.46783       68.97680 
1 1 1 -22 1  17 o 146.733 45.641 73.916    39.721  53.461    53.259  99.555    59.627  129.779 51.443 161.365 56.190 -31.58601      76.18215 
1 1 1 -22 1  19 o 56.076  27.013 -30.8583  24.096  -29.7062  32.277  -32.3089  36.218  68.152  32.402 71.970  34.248 -3.817535      47.14734 
1 1 1 -22 1  21 o 195.586 33.915 119.931   34.274  96.641    55.450  134.330   43.600  156.595 54.206 199.730 42.046 -43.13553      68.60150 
1 1 1 -22 1  23 o 100.826 39.354 28.966    30.749  13.548    38.246  57.147    51.708  94.330  40.898 126.604 50.528 -32.27306      65.00595 
1 1 1 -22 1  25 o 105.443 41.702 34.524    34.927  -0.0011   52.327  62.263    46.904  95.535  44.038 127.346 48.905 -31.81097      65.81075 
1 1 1 -22 2  2  o 166.241 20.652 78.623    18.010  91.803    26.310  67.001    24.706  175.279 29.012 147.505 32.149 27.77411       43.30469 
1 1 1 -22 2  4  o 196.044 46.072 129.900   47.605  0.0000    0.0000  129.900   47.605  ?       ?      196.044 46.072 0.000000       46.07197 
1 1 1 -22 2  6  o 214.804 28.470 135.822   31.979  135.822   31.979  0.0000    0.0000  214.804 28.470 ?       ?      0.000000       28.47024 
1 1 1 -22 2  8  o 146.838 30.065 64.950    22.872  102.090   28.242  -5.8266   38.987  185.411 29.392 87.616  39.452 97.79547       49.19719 
1 1 1 -22 2  10 o 97.935  31.099 28.410    18.348  19.827    20.911  57.122    38.246  88.290  32.931 132.352 45.046 -44.06242      55.79944 
1 1 1 -22 2  12 o 216.800 45.571 156.292   51.287  156.292   51.287  0.0000    0.0000  216.800 45.571 ?       ?      0.000000       45.57125 
1 1 1 -22 2  14 o 78.984  29.957 14.718    17.462  14.855    18.503  13.601    52.811  80.207  30.737 108.156 47.452 -27.94849      56.53743 
1 1 1 -22 2  16 o 180.787 42.821 108.489   40.865  92.710    54.470  128.805   61.808  158.378 53.759 183.126 56.929 -24.74863      78.29993 
1 1 1 -22 2  18 o 206.641 26.561 125.443   28.745  124.812   31.093  129.151   75.408  204.316 29.217 173.950 62.927 30.36610       69.37858 
1 1 1 -22 2  20 o 97.642  42.570 11.952    41.911  7.6611    47.685  26.520    87.863  99.544  44.314 125.455 57.546 -25.91086      72.63107 
1 1 1 -22 2  22 o 71.972  32.377 -4.5225   26.185  13.301    34.336  -29.2969  40.481  91.715  39.244 76.829  36.458 14.88624       53.56569 
1 1 1 -22 2  24 o 171.781 37.134 98.215    33.202  117.349   40.131  56.699    59.113  183.533 41.728 125.164 52.426 58.36900       67.00572 
1 1 1 -22 3  1  o 230.021 19.455 149.009   23.767  181.327   38.999  129.915   29.977  246.054 30.197 209.916 27.281 36.13838       40.69511 
1 1 1 -22 3  3  o 277.694 20.272 217.116   29.972  255.084   64.809  206.786   33.805  277.398 45.128 268.636 23.715 8.761963       50.98018 
1 1 1 -22 3  5  o 341.379 18.924 325.240   34.500  373.583   42.403  230.566   59.340  363.582 21.855 266.639 42.971 96.94354       48.20911 
1 1 1 -22 3  7  o 284.531 21.698 228.810   32.850  212.640   38.998  268.312   60.954  270.269 27.288 291.508 40.060 -21.23941      48.47099 
1 1 1 -22 3  9  f 234.380 17.670 152.797   22.041  179.361   31.226  126.421   31.115  250.673 23.509 206.975 28.823 43.69798       37.19464 
1 1 1 -22 3  11 o 207.620 27.686 126.387   30.050  87.409    34.970  236.391   58.748  164.563 40.022 271.936 41.620 -107.3727      57.74037 
1 1 1 -22 3  13 o 331.716 19.835 308.265   35.113  308.265   35.113  0.0000    0.0000  331.716 19.835 ?       ?      0.000000       19.83466 
1 1 1 -22 3  15 o 214.040 24.638 132.355   27.757  132.355   27.757  0.0000    0.0000  214.040 24.638 ?       ?      0.000000       24.63801 
1 1 1 -22 3  17 o 139.619 34.125 61.285    25.328  60.892    26.853  64.450    76.246  138.195 35.915 139.409 59.025 -1.214493      69.09293 
1 1 1 -22 3  19 f 52.771  25.448 -28.5602  21.519  -28.5487  22.422  -28.6947  76.585  54.284  26.127 105.462 50.074 -51.17742      56.48039 
1 1 1 -22 3  21 o 119.516 33.582 45.636    22.410  42.747    23.256  83.151    83.814  115.402 34.741 143.161 61.288 -27.75900      70.44962 
1 1 1 -22 3  23 o 124.039 45.147 54.455    38.902  54.455    38.902  0.0000    0.0000  124.039 45.147 ?       ?      0.000000       45.14714 
1 1 1 -22 3  25 o 114.856 42.686 46.235    35.073  36.558    40.234  76.859    71.576  107.964 44.035 132.497 56.677 -24.53339      71.77317 
1 1 1 -22 4  2  o 122.494 30.556 46.137    20.001  47.461    29.006  44.936    27.615  121.507 39.157 118.750 38.200 2.756371       54.70382 
1 1 1 -22 4  4  f 154.715 22.004 68.707    17.737  40.014    26.084  93.387    24.192  113.447 37.173 178.634 26.024 -65.18677      45.37717 
1 1 1 -22 4  6  o 141.278 42.834 66.167    35.261  57.290    53.204  73.121    47.088  133.315 51.841 145.041 49.966 -11.72614      72.00100 
1 1 1 -22 4  8  o 111.045 43.074 33.667    36.659  -10.9895  52.653  75.681    51.071  97.360  44.618 146.879 51.939 -49.51848      68.47150 
1 1 1 -22 4  10 o 192.917 22.622 106.328   22.953  105.297   25.148  111.473   56.176  190.576 25.234 174.040 54.301 16.53505       59.87823 
1 1 1 -22 4  12 o 126.044 30.648 48.501    20.510  54.858    22.205  11.558    53.526  133.803 31.480 107.601 47.471 26.20198       56.96016 
1 1 1 -22 4  14 o 101.887 32.943 31.233    20.518  31.233    20.518  0.0000    0.0000  101.887 32.943 ?       ?      0.000000       32.94327 
1 1 1 -22 4  16 o 153.223 30.393 71.387    24.085  71.387    24.085  0.0000    0.0000  153.223 30.393 ?       ?      0.000000       30.39261 
1 1 1 -22 4  18 o 191.004 26.745 107.799   26.637  123.703   29.415  35.334    62.788  204.224 27.570 121.217 52.479 83.00689       59.28017 
1 1 1 -22 4  20 o 115.361 45.124 40.976    40.492  94.231    52.926  -34.1946  62.881  155.778 52.991 94.533  45.025 61.24443       69.53581 
1 1 1 -22 4  22 o 90.684  38.602 14.057    32.908  45.568    36.890  -108.7511 72.825  116.881 43.710 84.097  41.780 32.78367       60.46644 
1 1 1 -22 4  24 o 147.519 47.122 83.820    42.078  83.820    42.078  0.0000    0.0000  147.519 47.122 ?       ?      0.000000       47.12202 
1 1 1 -22 5  1  o 149.174 28.904 67.385    22.282  69.246    52.132  66.969    24.646  138.797 51.951 146.768 32.206 -7.971008      61.12420 
1 1 1 -22 5  3  o 90.770  41.201 -6.1331   43.529  -6.1331   43.529  0.0000    0.0000  90.770  41.201 ?       ?      0.000000       41.20091 
1 1 1 -22 5  5  o 69.843  29.654 3.9180    19.330  7.3053    44.266  3.1199    21.487  98.367  43.294 72.206  30.975 26.16047       53.23328 
1 1 1 -22 5  7  o 39.239  19.535 -39.0957  16.262  -31.9131  17.295  -93.9379  47.788  43.917  21.538 68.402  33.959 -24.48529      40.21367 
1 1 1 -22 5  9  o 105.716 34.504 33.841    22.480  26.946    24.729  66.662    53.954  98.453  35.971 139.676 52.733 -41.22244      63.83374 
1 1 1 -22 5  11 o 142.553 30.601 61.800    22.689  71.519    24.836  12.778    55.778  153.243 31.288 109.380 48.347 43.86305       57.58793 
1 1 1 -22 5  13 o 71.735  30.437 4.4137    20.344  4.4137    20.344  0.0000    0.0000  71.735  30.437 ?       ?      0.000000       30.43735 
1 1 1 -22 5  15 o 192.532 26.926 109.174   27.033  93.705    28.939  215.112   75.734  175.001 32.024 234.728 59.963 -59.72685      67.97881 
1 1 1 -22 5  17 f 72.404  29.611 8.4551    18.256  8.7460    19.062  5.2335    63.432  73.729  30.218 108.986 49.572 -35.25643      58.05586 
1 1 1 -22 5  19 o 97.850  34.284 28.558    22.214  28.558    22.214  0.0000    0.0000  97.850  34.284 ?       ?      0.000000       34.28393 
1 1 1 -22 5  21 o 122.365 35.224 48.879    24.357  40.401    26.132  105.019   67.244  111.539 37.238 154.938 58.781 -43.39835      69.58341 
1 1 1 -22 5  23 o 60.058  29.107 -36.7077  29.038  -37.5037  31.968  -32.9511  69.443  63.537  30.732 96.041  46.162 -32.50404      55.45635 
1 1 1 -22 6  2  o 54.060  24.591 -7.1620   15.614  3.8944    34.829  -9.9428   17.467  87.400  38.436 55.577  25.554 31.82296       46.15538 
1 1 1 -22 6  4  o 119.800 36.388 45.682    25.430  45.682    25.430  0.0000    0.0000  119.800 36.388 ?       ?      0.000000       36.38794 
1 1 1 -22 6  6  o 191.385 21.999 104.701   22.162  120.865   25.225  50.002    46.402  204.989 23.370 125.869 48.562 79.11982       53.89303 
1 1 1 -22 6  8  o 202.052 21.991 116.475   23.438  134.931   26.526  50.764    50.051  216.925 23.166 127.506 50.082 89.41903       55.18044 
1 1 1 -22 6  10 o 322.741 21.338 294.509   36.713  330.574   44.405  216.600   65.265  339.173 24.587 248.909 50.630 90.26385       56.28416 
1 1 1 -22 6  12 o 182.104 28.854 98.941    27.231  113.431   31.008  50.095    56.933  193.859 30.870 128.563 52.403 65.29581       60.81958 
1 1 1 -22 6  14 o 100.363 33.903 30.132    21.663  30.132    21.663  0.0000    0.0000  100.363 33.903 ?       ?      0.000000       33.90318 
1 1 1 -22 6  16 o 100.883 34.654 30.592    22.642  30.592    22.642  0.0000    0.0000  100.883 34.654 ?       ?      0.000000       34.65393 
1 1 1 -22 6  18 o 117.310 33.580 43.722    22.193  43.722    22.193  0.0000    0.0000  117.310 33.580 ?       ?      0.000000       33.58027 
1 1 1 -22 6  20 o 79.468  38.026 -36.8779  45.962  -36.8779  45.962  0.0000    0.0000  79.468  38.026 ?       ?      0.000000       38.02576 
1 1 1 -22 7  1  o 235.127 22.629 159.420   28.173  165.801   33.547  144.150   51.894  236.465 26.943 199.303 48.927 37.16127       55.85480 
1 1 1 -22 7  3  o 187.065 26.088 103.206   25.452  107.476   29.849  91.830    48.717  187.833 30.702 157.138 50.757 30.69548       59.32018 
1 1 1 -22 7  5  o 87.887  33.750 19.200    22.336  19.200    22.336  0.0000    0.0000  87.887  33.750 ?       ?      0.000000       33.74959 
1 1 1 -22 7  7  o 89.676  32.603 21.981    20.279  30.542    22.528  -14.5871  46.559  101.081 34.571 89.724  41.422 11.35730       53.95334 
1 1 1 -22 7  9  o 44.122  21.585 -30.0049  17.040  -37.6766  18.670  8.2620    41.698  44.239  21.829 96.414  42.236 -52.17594      47.54364 
1 1 1 -22 7  11 o 79.740  31.244 13.942    19.438  21.517    20.969  -32.3295  51.826  89.589  33.063 87.923  41.584 1.665581       53.12610 
1 1 1 -22 7  13 o 118.568 33.699 44.233    22.433  32.951    24.878  93.314    51.889  104.432 36.299 157.997 52.462 -53.56599      63.79528 
1 1 1 -22 7  15 f 146.106 33.956 67.460    26.092  67.460    26.092  0.0000    0.0000  146.106 33.956 ?       ?      0.000000       33.95574 
1 1 1 -22 7  17 o 104.232 39.953 31.349    31.266  55.567    34.763  -71.1985  71.532  127.676 42.948 91.428  44.618 36.24810       61.92999 
1 1 1 -22 7  19 o 117.170 40.407 45.753    30.799  50.614    33.826  22.187    74.479  121.819 42.328 116.739 53.337 5.079971       68.09121 
1 1 1 -22 8  2  o 140.624 39.688 66.768    31.228  70.844    38.630  59.082    53.049  140.997 45.162 129.497 51.338 11.49973       68.37528 
1 1 1 -22 8  4  o 129.190 33.741 53.123    23.624  61.868    26.672  21.287    50.892  138.395 35.709 107.999 47.001 30.39596       59.02746 
1 1 1 -22 8  6  o 58.211  27.760 -25.5567  24.063  -39.6314  28.643  8.2031    44.361  59.408  28.819 97.638  43.139 -38.23031      51.87954 
1 1 1 -22 8  8  o 63.537  27.905 -1.2312   18.304  7.9862    19.742  -57.6792  48.855  73.802  30.552 77.287  37.526 -3.485481      48.39019 
1 1 1 -22 8  10 o 67.658  29.509 0.3130    20.157  -18.8944  22.026  99.323    50.007  58.220  27.405 163.445 51.272 -105.2246      58.13648 
1 1 1 -22 8  12 o 90.810  32.883 23.048    20.600  40.211    22.245  -80.2280  54.569  112.967 33.971 76.985  37.857 35.98254       50.86426 
1 1 1 -22 8  14 o 139.187 40.849 65.425    32.476  70.445    38.609  53.281    60.051  141.615 45.128 128.306 53.214 13.30829       69.77254 
1 1 1 -21 0  1  o 202.714 27.507 120.667   28.342  120.667   28.342  120.667   28.342  202.714 27.507 202.714 27.507 -0.000000      0.000000 
1 1 1 -21 0  3  o 159.119 59.900 104.507   47.802  104.507   47.802  104.507   47.802  159.119 59.900 159.119 59.900 0.000000       0.000000 
1 1 1 -21 0  5  o 108.915 55.561 55.952    40.868  55.952    40.868  55.952    40.868  108.915 55.561 108.915 55.561 0.000000       0.000000 
1 1 1 -21 0  7  o 52.049  32.201 6.8226    17.781  6.8226    17.781  6.8226    17.781  52.049  32.201 52.049  32.201 0.000000       0.000000 
1 1 1 -21 0  9  o 65.913  35.668 18.171    17.628  18.171    17.628  18.171    17.628  65.913  35.668 65.913  35.668 -0.000000      0.000000 
1 1 1 -21 0  11 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -21 0  13 o 172.709 30.690 90.882    25.742  90.882    25.742  90.882    25.742  172.709 30.690 172.709 30.690 -0.000000      0.000000 
1 1 1 -21 0  15 o 111.177 50.710 54.276    32.839  54.276    32.839  54.276    32.839  111.177 50.710 111.177 50.710 0.000000       0.000000 
1 1 1 -21 0  17 o 83.784  46.183 31.142    30.125  31.142    30.125  31.142    30.125  83.784  46.183 83.784  46.183 -0.000000      0.000000 
1 1 1 -21 0  19 o 71.915  47.241 4.1403    45.917  4.1403    45.917  4.1403    45.917  71.915  47.241 71.915  47.241 0.000000       0.000000 
1 1 1 -21 0  21 o 80.530  47.854 26.648    36.058  26.648    36.058  26.648    36.058  80.530  47.854 80.530  47.854 0.000000       0.000000 
1 1 1 -21 0  23 o 121.205 54.728 66.566    38.210  66.566    38.210  66.566    38.210  121.205 54.728 121.205 54.728 0.000000       0.000000 
1 1 1 -21 0  25 o 174.910 60.243 124.796   50.844  124.796   50.844  124.796   50.844  174.910 60.243 174.910 60.243 0.000000       0.000000 
1 1 1 -21 0  27 o 96.900  53.934 47.330    41.537  47.330    41.537  47.330    41.537  96.900  53.934 96.900  53.934 0.000000       0.000000 
1 1 1 -21 0  29 o 134.758 79.316 136.142   97.402  136.142   97.402  136.142   97.402  134.758 79.316 134.758 79.316 -0.000000      0.000000 
1 1 1 -21 1  2  o 164.018 20.464 76.105    17.603  105.774   25.541  49.259    24.296  191.193 25.556 125.955 34.816 65.23853       43.18884 
1 1 1 -21 1  4  o 284.333 21.711 227.740   32.846  0.0000    0.0000  227.740   32.846  ?       ?      284.333 21.711 0.000000       21.71103 
1 1 1 -21 1  6  o 247.200 20.324 171.262   26.697  134.649   32.450  247.953   46.964  214.228 28.998 290.228 30.646 -76.00055      42.19117 
1 1 1 -21 1  8  o 123.817 32.884 46.893    22.198  46.893    22.198  0.0000    0.0000  123.817 32.884 ?       ?      0.000000       32.88443 
1 1 1 -21 1  10 o 105.342 28.028 33.078    16.106  63.045    24.271  9.4973    21.530  144.061 32.231 78.533  32.142 65.52833       45.51854 
1 1 1 -21 1  12 o 224.334 27.894 146.567   32.825  206.520   48.397  95.492    44.670  260.798 35.538 168.163 47.470 92.63545       59.29916 
1 1 1 -21 1  14 o 198.869 23.465 112.918   24.536  112.918   24.536  0.0000    0.0000  198.869 23.465 ?       ?      0.000000       23.46454 
1 1 1 -21 1  16 o 220.122 26.591 140.531   30.745  110.938   36.633  211.052   56.550  188.376 37.589 256.763 42.571 -68.38701      56.79145 
1 1 1 -21 1  18 o 115.139 37.609 40.945    26.707  39.866    31.965  43.441    48.605  114.985 41.044 123.487 49.082 -8.501289      63.98198 
1 1 1 -21 1  20 o 70.065  31.694 -8.0186   25.498  57.924    44.321  -40.6418  31.174  132.351 48.187 63.017  30.448 69.33487       57.00050 
1 1 1 -21 1  22 o 137.880 36.880 61.226    27.794  18.224    36.348  121.772   43.129  98.191  41.118 190.596 43.205 -92.40501      59.64312 
1 1 1 -21 1  24 o 90.353  37.392 15.970    29.559  44.474    45.586  -4.7100   38.829  119.424 47.512 86.073  39.007 33.35148       61.47356 
1 1 1 -21 1  26 o 139.628 38.395 65.972    29.637  66.070    38.490  65.828    46.448  134.915 45.193 132.631 49.156 2.284576       66.77379 
1 1 1 -21 1  28 o 81.912  35.027 10.406    27.321  32.321    36.075  -19.0682  41.837  103.525 41.891 80.058  37.710 23.46662       56.36399 
1 1 1 -21 2  1  o 119.638 27.045 42.607    16.939  53.614    22.069  26.823    26.428  132.585 31.511 99.752  37.057 32.83296       48.64302 
1 1 1 -21 2  3  f 221.377 19.350 137.089   22.735  141.460   36.713  134.369   28.955  217.117 32.542 215.927 25.504 1.190414       41.34496 
1 1 1 -21 2  5  o 102.151 27.440 31.027    15.348  34.748    24.008  28.455    19.958  107.909 35.678 98.776  32.524 9.133430       48.27728 
1 1 1 -21 2  7  o 90.166  36.275 15.944    26.881  15.944    26.881  0.0000    0.0000  90.166  36.275 ?       ?      0.000000       36.27473 
1 1 1 -21 2  9  o 109.917 37.602 35.780    26.651  35.780    26.651  0.0000    0.0000  109.917 37.602 ?       ?      0.000000       37.60155 
1 1 1 -21 2  11 o 89.928  31.300 22.276    18.500  17.181    20.469  45.002    43.230  85.281  32.412 123.965 47.106 -38.68373      57.18022 
1 1 1 -21 2  13 o 303.753 19.686 257.436   31.887  281.603   37.126  189.467   62.261  316.197 22.038 235.873 50.740 80.32365       55.31898 
1 1 1 -21 2  15 o 171.044 37.223 91.517    33.165  91.517    33.165  0.0000    0.0000  171.044 37.223 ?       ?      0.000000       37.22337 
1 1 1 -21 2  17 o 85.976  30.762 19.748    17.965  19.343    19.508  22.009    46.089  86.660  31.906 108.968 46.000 -22.30771      55.98186 
1 1 1 -21 2  19 o 117.040 39.860 42.571    29.947  9.6103    33.237  184.777   69.037  90.649  38.695 222.348 57.489 -131.6992      69.29863 
1 1 1 -21 2  21 o 138.235 41.940 63.541    33.797  67.613    56.856  61.316    42.029  139.342 53.756 134.492 47.156 4.849182       71.50826 
1 1 1 -21 2  23 o 93.544  38.130 18.924    30.145  34.355    44.439  5.7716    41.028  112.965 46.200 93.807  41.464 19.15776       62.07819 
1 1 1 -21 2  25 o 144.115 39.479 70.274    31.403  67.092    38.564  76.537    54.103  136.916 45.216 140.535 52.860 -3.619049      69.56067 
1 1 1 -21 2  27 o 85.870  35.501 15.537    26.607  13.964    36.463  17.329    38.911  92.199  39.954 95.841  41.403 -3.641739      57.53667 
1 1 1 -21 2  29 o 82.865  37.034 4.7872    33.657  -3.5129   40.118  24.513    61.846  83.907  38.634 106.538 48.648 -22.63116      62.12228 
1 1 1 -21 3  2  f 208.711 19.219 121.943   21.264  151.010   27.082  75.223    34.336  230.893 22.150 152.374 41.090 78.51965       46.67995 
1 1 1 -21 3  4  o 360.883 17.499 359.421   33.856  459.798   58.375  308.542   41.560  399.180 27.443 329.769 23.664 69.41083       36.23719 
1 1 1 -21 3  6  o 281.099 23.652 224.340   35.314  239.654   47.365  205.172   52.992  284.618 31.572 256.355 39.851 28.26352       50.84171 
1 1 1 -21 3  8  o 82.122  31.911 14.588    20.148  14.926    23.301  13.589    40.113  85.746  34.014 100.265 42.648 -14.51875      54.55075 
1 1 1 -21 3  10 o 123.399 28.242 45.388    18.280  60.340    19.718  -46.0496  48.763  143.442 26.620 82.428  39.367 61.01424       47.52234 
1 1 1 -21 3  12 o 250.103 20.993 175.727   27.889  175.727   27.889  0.0000    0.0000  250.103 20.993 ?       ?      0.000000       20.99334 
1 1 1 -21 3  14 o 402.407 25.335 462.411   54.379  465.583   75.737  459.036   78.127  391.270 36.527 386.380 38.216 4.889984       52.86471 
1 1 1 -21 3  16 o 304.896 17.783 257.817   28.942  256.899   32.556  261.277   63.206  302.920 20.161 286.097 42.499 16.82285       47.03864 
1 1 1 -21 3  18 o 104.135 32.907 32.666    20.562  36.317    21.585  -3.1542   67.613  109.092 33.598 110.930 50.735 -1.837296      60.85062 
1 1 1 -21 3  20 f 92.683  34.291 22.996    22.584  24.580    23.738  7.8751    73.344  95.157  35.166 116.878 53.217 -21.72110      63.78606 
1 1 1 -21 3  22 o 88.024  36.355 14.115    27.861  84.861    42.094  -41.0400  37.167  155.189 46.744 70.030  33.688 85.15884       57.61844 
1 1 1 -21 3  24 o 138.654 37.532 63.412    28.582  65.031    39.968  61.718    40.890  135.380 46.049 132.202 46.504 3.178635       65.44537 
1 1 1 -21 3  26 o 75.840  34.379 -5.1428   30.182  -27.7637  37.127  38.937    51.827  73.265  34.809 114.868 48.651 -41.60403      59.82139 
1 1 1 -21 3  28 o 131.358 44.180 65.235    36.786  68.864    42.248  53.862    74.797  132.148 47.185 121.862 54.780 10.28625       72.30006 
1 1 1 -21 4  1  o 206.037 19.647 119.186   21.440  145.898   36.401  104.996   26.530  220.793 31.656 189.647 26.843 31.14673       41.50496 
1 1 1 -21 4  3  o 166.501 20.797 78.487    18.160  94.986    24.588  58.688    26.936  180.817 26.121 136.929 36.157 43.88838       44.60485 
1 1 1 -21 4  5  o 142.908 23.602 58.913    17.452  46.522    24.482  71.714    24.884  122.662 35.316 154.382 31.139 -31.72028      47.08290 
1 1 1 -21 4  7  o 111.101 31.837 37.321    19.939  39.953    22.609  28.110    42.295  114.475 34.207 111.266 45.239 3.209587       56.71555 
1 1 1 -21 4  9  o 223.597 20.146 140.100   23.891  148.308   26.847  108.866   52.371  229.096 22.134 176.605 51.886 52.49168       56.40977 
1 1 1 -21 4  11 o 144.429 30.994 62.836    23.281  65.261    26.576  54.835    48.272  145.517 34.576 132.853 49.938 12.66354       60.73996 
1 1 1 -21 4  13 o 205.133 22.425 119.398   24.260  119.398   24.260  0.0000    0.0000  205.133 22.425 ?       ?      0.000000       22.42453 
1 1 1 -21 4  15 o 184.784 34.719 104.585   33.132  104.585   33.132  0.0000    0.0000  184.784 34.719 ?       ?      0.000000       34.71881 
1 1 1 -21 4  17 o 69.681  28.816 6.1776    17.537  5.9187    18.509  8.4496    54.828  70.833  29.474 107.653 47.741 -36.81995      56.10640 
1 1 1 -21 4  19 o 103.727 37.374 31.060    26.563  20.213    30.620  64.054    53.402  96.111  38.698 137.796 52.357 -41.68418      65.10619 
1 1 1 -21 4  21 o 144.467 35.928 66.541    27.711  42.506    31.317  153.240   59.480  116.197 40.707 203.212 53.763 -87.01505      67.43526 
1 1 1 -21 4  23 o 219.652 31.422 147.508   35.948  174.273   42.504  80.259    67.374  236.047 34.615 143.694 57.563 92.35297       67.16888 
1 1 1 -21 4  25 o 104.909 41.136 32.272    33.713  50.931    39.193  -20.8145  66.108  121.572 45.135 98.938  46.845 22.63338       65.05082 
1 1 1 -21 4  27 o 110.936 41.841 41.561    33.945  55.458    38.398  -8.1522   72.625  122.915 44.836 103.077 48.890 19.83805       66.33613 
1 1 1 -21 5  2  o 80.545  27.126 17.969    13.867  39.561    19.964  -2.1618   19.277  113.950 31.583 64.962  28.581 48.98790       42.59556 
1 1 1 -21 5  4  o 95.434  29.127 26.836    16.265  47.829    21.827  0.6170    24.392  125.079 32.318 74.777  32.541 50.30138       45.86235 
1 1 1 -21 5  6  o 83.507  31.505 16.664    19.249  21.299    21.089  -6.4735   47.118  90.494  33.195 95.659  43.195 -5.165504      54.47646 
1 1 1 -21 5  8  o 131.873 35.217 53.877    25.368  45.412    29.675  76.858    48.893  121.179 39.647 150.309 50.933 -29.12988      64.54446 
1 1 1 -21 5  10 o 118.354 42.459 41.757    34.248  118.306   50.024  -25.7809  46.987  186.301 49.312 87.613  40.844 98.68819       64.03047 
1 1 1 -21 5  12 o 128.714 29.440 49.704    19.875  49.028    21.411  53.919    53.435  127.014 31.577 133.286 51.919 -6.271919      60.76779 
1 1 1 -21 5  14 o 70.313  28.658 7.3636    17.025  2.1312    17.940  54.782    54.007  66.536  28.416 133.581 52.151 -67.04488      59.39042 
1 1 1 -21 5  16 o 166.518 26.541 81.136    22.899  81.136    22.899  0.0000    0.0000  166.518 26.541 ?       ?      0.000000       26.54099 
1 1 1 -21 5  18 o 88.659  34.139 18.848    22.897  13.854    24.568  51.855    63.159  85.380  34.563 132.467 54.726 -47.08698      64.72686 
1 1 1 -21 5  20 o 49.697  23.684 -19.9522  17.455  -24.0244  18.200  26.725    61.620  49.062  23.595 118.012 51.530 -68.95037      56.67461 
1 1 1 -21 5  22 o 115.509 32.524 41.875    20.997  30.105    22.056  155.706   68.589  99.947  34.207 194.115 59.909 -94.16783      68.98709 
1 1 1 -21 5  24 o 158.416 37.156 82.587    31.012  77.344    33.923  109.262   76.515  150.065 41.000 154.965 61.586 -4.899780      73.98539 
1 1 1 -21 5  26 o 82.863  37.964 -5.9598   38.086  -5.9598   38.086  0.0000    0.0000  82.863  37.964 ?       ?      0.000000       37.96400 
1 1 1 -21 6  1  o 173.198 26.919 88.045    24.185  75.763    27.832  125.905   48.866  156.454 34.141 191.837 47.711 -35.38225      58.66780 
1 1 1 -21 6  3  o 108.513 39.907 33.476    30.508  -2.2927   40.234  81.858    46.794  90.853  40.556 153.885 49.749 -63.03167      64.18566 
1 1 1 -21 6  5  o 158.031 36.860 78.175    30.657  78.175    30.657  0.0000    0.0000  158.031 36.860 ?       ?      0.000000       36.85984 
1 1 1 -21 6  7  o 83.538  29.165 18.834    16.069  26.638    18.023  -11.4155  35.483  95.645  30.870 81.505  37.074 14.14002       48.24326 
1 1 1 -21 6  9  o 67.570  28.037 5.1767    16.680  11.862    18.724  -20.5380  36.722  77.500  30.571 78.669  36.483 -1.169510      47.59777 
1 1 1 -21 6  11 o 137.661 34.412 58.532    25.329  47.269    27.812  113.279   61.320  123.121 38.174 175.579 56.970 -52.45811      68.57717 
1 1 1 -21 6  13 o 101.983 33.140 30.775    20.747  27.440    21.972  58.210    63.014  98.211  34.114 137.837 55.509 -39.62537      65.15392 
1 1 1 -21 6  15 o 221.101 25.042 140.745   29.161  135.004   32.054  168.316   70.246  214.320 28.611 210.519 59.564 3.800919       66.07901 
1 1 1 -21 6  17 o 111.709 35.462 38.413    23.858  38.413    23.858  0.0000    0.0000  111.709 35.462 ?       ?      0.000000       35.46163 
1 1 1 -21 6  19 o 125.512 35.616 49.934    25.078  54.667    27.123  22.049    65.833  130.619 37.031 118.119 52.351 12.49969       64.12453 
1 1 1 -21 6  21 f 134.918 35.106 58.195    25.637  62.510    27.577  30.720    69.583  139.072 36.518 121.455 53.826 17.61661       65.04501 
1 1 1 -21 6  23 o 123.312 39.299 50.800    29.280  46.434    31.917  73.987    73.555  118.292 41.115 138.417 58.255 -20.12457      71.30248 
1 1 1 -21 6  25 o 125.064 41.227 54.763    32.065  76.371    35.104  -54.1071  78.796  146.307 42.336 96.723  47.120 49.58332       63.34529 
1 1 1 -21 7  2  o 119.601 36.278 44.774    25.290  49.652    33.953  38.697    37.902  124.758 42.443 115.718 44.076 9.039848       61.18868 
1 1 1 -21 7  4  o 96.893  30.071 27.795    17.254  22.170    19.281  50.403    38.655  89.998  31.904 126.437 45.135 -36.43893      55.27216 
1 1 1 -21 7  6  o 167.874 26.479 82.275    23.042  82.275    23.042  0.0000    0.0000  167.874 26.479 ?       ?      0.000000       26.47896 
1 1 1 -21 7  8  o 166.235 23.873 79.478    20.666  87.477    23.005  46.031    47.040  173.773 25.446 125.606 48.773 48.16685       55.01205 
1 1 1 -21 7  10 f 123.446 29.592 45.899    19.330  55.623    21.238  -1.0366   46.660  135.978 29.943 97.539  43.598 38.43879       52.88994 
1 1 1 -21 7  12 o 285.960 24.932 234.099   37.841  207.165   49.056  273.676   59.465  260.171 36.146 297.412 38.175 -37.24106      52.57182 
1 1 1 -21 7  14 o 130.078 33.948 52.481    23.927  49.852    26.816  62.749    52.995  125.806 37.175 137.978 52.222 -12.17214      64.10226 
1 1 1 -21 7  16 o 168.744 28.604 84.662    24.954  84.662    24.954  0.0000    0.0000  168.744 28.604 ?       ?      0.000000       28.60442 
1 1 1 -21 7  18 o 271.964 20.823 209.063   30.131  191.976   34.015  271.321   64.928  257.714 24.930 287.525 43.477 -29.81036      50.11747 
1 1 1 -21 7  20 o 189.311 28.541 107.273   28.068  72.603    30.524  297.082   71.421  149.128 38.053 294.669 46.771 -145.5410      60.29551 
1 1 1 -21 7  22 o 82.274  39.255 -35.8028  48.244  81.938    65.715  -173.4442 71.052  143.193 57.022 74.222  37.476 68.97062       68.23409 
1 1 1 -21 7  24 o 108.563 39.600 38.147    29.954  26.880    33.262  86.489    68.897  99.754  40.274 141.352 57.635 -41.59840      70.31180 
1 1 1 -21 8  1  o 129.044 28.019 50.123    18.829  84.832    33.272  33.771    22.838  161.952 38.824 105.386 34.795 56.56569       52.13455 
1 1 1 -21 8  3  o 163.427 28.308 79.389    23.905  105.413   28.432  16.626    44.155  188.325 29.098 103.831 44.468 84.49377       53.14230 
1 1 1 -21 8  5  o 166.447 23.985 79.978    20.786  91.938    23.432  35.814    45.028  177.994 25.263 116.830 46.967 61.16446       53.33072 
1 1 1 -21 8  7  o 195.768 23.437 109.717   24.110  109.717   24.110  0.0000    0.0000  195.768 23.437 ?       ?      0.000000       23.43664 
1 1 1 -21 8  9  o 255.391 25.401 187.674   34.318  187.674   34.318  0.0000    0.0000  255.391 25.401 ?       ?      0.000000       25.40112 
1 1 1 -21 8  11 o 291.108 25.526 243.705   39.436  328.343   51.566  124.456   61.208  334.980 28.999 182.654 56.631 152.3255       63.62340 
1 1 1 -21 8  13 o 184.838 23.807 98.279    23.044  100.193   25.575  90.019    53.124  185.199 26.514 158.110 53.093 27.08923       59.34532 
1 1 1 -21 8  15 f 303.674 17.985 256.700   29.151  247.683   32.507  293.718   65.867  296.599 20.570 302.327 41.751 -5.727753      46.54309 
1 1 1 -21 8  17 o 149.059 28.851 66.905    22.223  74.397    24.169  25.928    56.524  156.814 29.838 115.150 49.822 41.66408       58.07341 
1 1 1 -21 8  19 o 204.464 40.252 136.917   42.553  136.917   42.553  0.0000    0.0000  204.464 40.252 ?       ?      0.000000       40.25171 
1 1 1 -21 8  21 o 123.192 55.995 31.759    80.760  31.759    80.760  0.0000    0.0000  123.192 55.995 ?       ?      0.000000       55.99511 
1 1 1 -21 8  23 o 90.552  39.939 8.3134    37.866  10.443    45.387  3.4361    68.679  96.960  43.194 106.779 49.646 -9.818901      65.80587 
1 1 1 -21 9  2  o 86.391  34.765 15.351    24.698  10.796    31.065  23.176    40.717  88.759  37.633 104.655 43.645 -15.89627      57.62975 
1 1 1 -21 9  4  o 64.826  28.461 -1.4665   19.026  5.3190    21.902  -22.3378  38.412  74.621  31.617 78.922  36.839 -4.300537      48.54587 
1 1 1 -21 9  6  o 105.553 35.477 33.490    23.720  33.490    23.720  0.0000    0.0000  105.553 35.477 ?       ?      0.000000       35.47738 
1 1 1 -21 9  8  o 129.852 28.707 50.742    19.454  44.550    21.741  75.608    43.570  120.063 32.832 148.135 48.017 -28.07130      58.16867 
1 1 1 -21 9  10 o 87.457  35.401 14.842    25.772  46.839    30.400  -66.9226  48.596  121.616 40.144 75.558  36.852 46.05782       54.49424 
1 1 1 -21 9  12 o 217.731 24.746 136.872   28.373  143.915   32.988  116.853   55.618  220.826 28.531 178.128 53.748 42.69772       60.85114 
1 1 1 -21 9  14 o 188.706 23.453 102.574   23.215  89.588    25.651  161.370   54.583  173.359 28.596 216.117 48.321 -42.75729      56.14838 
1 1 1 -21 9  16 f 70.248  32.827 -20.1746  30.640  -20.1746  30.640  0.0000    0.0000  70.248  32.827 ?       ?      0.000000       32.82740 
1 1 1 -21 9  18 o 114.622 39.551 41.970    29.509  67.621    34.106  -34.4148  58.854  141.051 41.983 92.149  43.795 48.90239       60.66772 
1 1 1 -21 9  20 o 116.763 42.805 44.723    35.061  -14.9587  40.714  215.989   68.970  82.748  38.388 235.704 55.497 -152.9566      67.48066 
1 1 1 -21 10 1  o 82.388  28.226 19.250    15.017  6.2444    23.743  27.923    19.389  76.997  32.782 96.347  32.072 -19.34934      45.86171 
1 1 1 -21 10 3  o 84.252  30.601 19.064    17.858  -14.0515  31.755  34.382    21.597  74.446  34.313 105.571 33.763 -31.12453      48.13865 
1 1 1 -21 10 5  o 155.579 22.600 69.880    18.300  119.847   27.006  27.461    24.883  202.754 25.402 98.576  36.073 104.1776       44.11893 
1 1 1 -21 10 7  o 125.024 33.323 48.852    22.741  48.852    22.741  0.0000    0.0000  125.024 33.323 ?       ?      0.000000       33.32274 
1 1 1 -21 10 9  o 94.499  31.476 26.216    18.674  26.518    20.209  24.448    48.845  95.474  32.742 110.578 47.048 -15.10367      57.32032 
1 1 1 -21 10 11 o 175.322 39.527 99.726    36.267  105.364   46.558  91.025    57.835  172.788 48.353 155.410 55.237 17.37749       73.41100 
1 1 1 -21 10 13 o 67.308  30.709 -9.9383   24.582  -22.5636  27.668  37.367    53.557  65.143  30.679 119.484 49.962 -54.34069      58.62946 
1 1 1 -21 10 15 o 217.599 33.134 145.890   37.434  145.890   37.434  0.0000    0.0000  217.599 33.134 ?       ?      0.000000       33.13370 
1 1 1 -20 0  2  o 81.050  47.234 26.805    33.964  26.805    33.964  26.805    33.964  81.050  47.234 81.050  47.234 0.000000       0.000000 
1 1 1 -20 0  4  o 220.922 23.656 138.959   27.208  138.959   27.208  138.959   27.208  220.922 23.656 220.922 23.656 0.000000       0.000000 
1 1 1 -20 0  6  o 267.472 37.513 215.357   50.759  215.357   50.759  215.357   50.759  267.472 37.513 267.472 37.513 0.000000       0.000000 
1 1 1 -20 0  8  o 93.836  38.618 34.855    19.228  34.855    19.228  34.855    19.228  93.836  38.618 93.836  38.618 0.000000       0.000000 
1 1 1 -20 0  10 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -20 0  12 o 198.902 24.982 114.213   25.500  114.213   25.500  114.213   25.500  198.902 24.982 198.902 24.982 0.000000       0.000000 
1 1 1 -20 0  14 o 53.731  36.578 -13.5258  32.265  -13.5258  32.265  -13.5258  32.265  53.731  36.578 53.731  36.578 0.000000       0.000000 
1 1 1 -20 0  16 o 249.742 25.334 178.110   33.121  178.110   33.121  178.110   33.121  249.742 25.334 249.742 25.334 -0.000000      0.000000 
1 1 1 -20 0  18 o 127.406 48.268 64.105    30.940  64.105    30.940  64.105    30.940  127.406 48.268 127.406 48.268 0.000000       0.000000 
1 1 1 -20 0  20 o 144.910 45.800 76.331    31.285  76.331    31.285  76.331    31.285  144.910 45.800 144.910 45.800 0.000000       0.000000 
1 1 1 -20 0  22 o 187.539 41.656 114.699   36.606  114.699   36.606  114.699   36.606  187.539 41.656 187.539 41.656 0.000000       0.000000 
1 1 1 -20 0  24 o 275.066 30.108 220.876   43.048  220.876   43.048  220.876   43.048  275.066 30.108 275.066 30.108 -0.000000      0.000000 
1 1 1 -20 0  26 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -20 0  28 o 183.159 47.750 117.395   40.517  117.395   40.517  117.395   40.517  183.159 47.750 183.159 47.750 0.000000       0.000000 
1 1 1 -20 0  30 o 309.343 52.250 324.387   79.233  324.387   79.233  324.387   79.233  309.343 52.250 309.343 52.250 -0.000000      0.000000 
1 1 1 -20 0  32 o 368.264 49.538 455.782   92.832  455.782   92.832  455.782   92.832  368.264 49.538 368.264 49.538 -0.000000      0.000000 
1 1 1 -20 1  1  o 146.064 34.407 65.643    26.500  0.0000    0.0000  65.643    26.500  ?       ?      146.064 34.407 0.000000       34.40696 
1 1 1 -20 1  3  o 217.666 22.772 134.104   26.180  0.0000    0.0000  134.104   26.180  ?       ?      217.666 22.772 0.000000       22.77151 
1 1 1 -20 1  5  o 87.533  32.435 19.017    20.221  19.370    35.977  18.854    24.448  101.470 41.542 91.121  35.223 10.34985       54.46481 
1 1 1 -20 1  7  o 118.466 26.803 41.305    16.626  44.992    21.986  36.380    25.409  121.930 32.880 110.982 36.705 10.94835       49.27829 
1 1 1 -20 1  9  o 108.433 31.446 35.064    19.348  51.199    24.811  10.027    30.908  129.380 34.946 90.110  37.835 39.27007       51.50433 
1 1 1 -20 1  11 o 102.297 34.025 30.244    21.824  25.843    33.607  33.454    28.698  104.739 41.070 108.876 38.887 -4.136787      56.55975 
1 1 1 -20 1  13 o 216.117 38.284 143.989   42.735  0.0000    0.0000  143.989   42.735  ?       ?      216.117 38.284 0.000000       38.28400 
1 1 1 -20 1  15 o 202.674 28.264 119.918   29.876  119.918   29.876  0.0000    0.0000  202.674 28.264 ?       ?      0.000000       28.26444 
1 1 1 -20 1  17 o 86.162  32.675 17.810    20.773  32.102    29.047  2.8494    29.718  106.775 38.989 83.002  36.019 23.77293       53.08043 
1 1 1 -20 1  19 o 143.572 30.427 62.255    22.693  40.586    32.099  83.908    32.086  115.869 41.154 163.048 37.489 -47.17911      55.66963 
1 1 1 -20 1  21 o 172.790 33.664 91.781    30.064  98.378    50.911  88.249    37.254  165.507 51.703 163.613 42.196 1.894165       66.73571 
1 1 1 -20 1  23 o 111.817 35.730 38.833    24.191  64.029    31.439  2.2656    37.875  139.855 39.945 90.106  39.833 49.74857       56.41160 
1 1 1 -20 1  25 o 200.032 32.154 122.640   33.315  215.944   51.041  53.383    43.974  260.885 37.576 126.801 47.664 134.0840       60.69424 
1 1 1 -20 1  27 o 187.200 31.931 108.799   30.897  96.559    37.525  134.564   54.444  167.885 41.841 187.253 52.248 -19.36845      66.93683 
1 1 1 -20 1  29 o 228.928 26.307 157.205   31.702  172.332   45.255  142.629   44.423  227.045 38.557 201.933 42.383 25.11203       57.29723 
1 1 1 -20 1  31 o 140.387 44.065 76.026    36.931  58.525    42.963  125.551   72.273  121.912 46.809 152.391 60.078 -30.47930      76.16043 
1 1 1 -20 2  2  o 119.109 32.188 43.097    21.043  84.071    40.715  28.163    24.581  159.503 45.423 100.702 35.987 58.80076       57.95150 
1 1 1 -20 2  4  o 129.828 25.558 49.198    17.156  54.040    21.499  40.709    28.468  134.211 30.563 116.309 38.867 17.90183       49.44387 
1 1 1 -20 2  6  o 242.433 23.929 166.658   30.696  166.658   30.696  0.0000    0.0000  242.433 23.929 ?       ?      0.000000       23.92874 
1 1 1 -20 2  8  o 156.074 24.250 69.915    19.633  70.761    24.401  68.361    33.060  154.238 30.589 147.014 40.603 7.223572       50.83644 
1 1 1 -20 2  10 o 269.260 18.541 200.933   26.602  188.493   32.676  225.387   45.812  257.992 23.895 277.185 31.380 -19.19333      39.44216 
1 1 1 -20 2  12 o 136.118 27.183 54.438    19.143  44.683    21.443  92.728    42.483  121.454 32.351 167.915 45.884 -46.46124      56.14251 
1 1 1 -20 2  14 o 95.982  33.872 25.408    21.711  37.641    25.225  -9.5495   42.641  111.979 36.549 90.385  40.927 21.59395       54.87160 
1 1 1 -20 2  16 o 160.522 26.547 75.217    22.048  75.217    22.048  0.0000    0.0000  160.522 26.547 ?       ?      0.000000       26.54716 
1 1 1 -20 2  18 o 110.645 36.505 37.038    25.139  42.306    29.387  22.664    48.539  117.291 39.488 111.111 47.072 6.179588       61.44162 
1 1 1 -20 2  20 o 67.980  30.096 -3.0803   21.699  -33.1447  28.726  36.871    33.114  62.566  29.971 112.463 41.540 -49.89709      51.22324 
1 1 1 -20 2  22 f 157.305 37.495 78.891    31.175  160.040   53.257  36.592    38.451  217.051 47.118 113.854 44.128 103.1973       64.55497 
1 1 1 -20 2  24 o 163.310 31.388 81.588    26.483  51.236    34.299  126.397   41.675  125.062 42.658 196.522 40.886 -71.45972      59.08779 
1 1 1 -20 2  26 o 130.627 36.870 55.718    26.949  47.940    35.792  65.898    40.949  120.569 43.390 136.445 46.610 -15.87648      63.68039 
1 1 1 -20 2  28 o 91.169  36.340 20.817    26.715  26.239    36.346  14.445    39.399  101.204 41.631 95.445  41.446 5.759537       58.74426 
1 1 1 -20 2  30 o 179.517 39.887 112.467   37.392  119.398   43.263  92.002    74.340  178.827 45.125 138.063 58.359 40.76347       73.77024 
1 1 1 -20 2  32 o 76.814  37.230 -36.5846  47.521  -112.4991 63.033  63.379    72.331  72.801  36.567 119.121 53.679 -46.31951      64.95055 
1 1 1 -20 3  1  o 192.685 20.432 104.483   20.785  58.623    37.856  124.276   24.869  134.758 44.813 209.294 22.518 -74.53625      50.15196 
1 1 1 -20 3  3  o 250.817 15.613 173.010   20.890  154.229   29.781  191.202   29.311  232.652 24.232 261.053 21.124 -28.40071      32.14640 
1 1 1 -20 3  5  o 272.018 23.478 209.320   33.904  209.320   33.904  0.0000    0.0000  272.018 23.478 ?       ?      0.000000       23.47762 
1 1 1 -20 3  7  o 173.152 25.036 86.175    22.567  95.867    26.804  62.583    41.818  181.066 28.559 139.541 47.104 41.52548       55.08552 
1 1 1 -20 3  9  o 154.238 30.809 70.943    24.585  70.943    24.585  0.0000    0.0000  154.238 30.809 ?       ?      0.000000       30.80892 
1 1 1 -20 3  11 o 248.884 20.526 173.220   27.144  155.272   31.899  220.327   51.679  232.669 26.018 269.591 36.710 -36.92282      44.99475 
1 1 1 -20 3  13 o 284.023 20.360 225.341   30.798  220.210   36.660  237.648   56.777  278.048 24.854 277.486 39.260 0.5621643      46.46605 
1 1 1 -20 3  15 o 246.241 22.073 171.099   28.831  153.088   33.903  218.144   54.793  229.290 28.172 264.643 39.855 -35.35269      48.80642 
1 1 1 -20 3  17 o 279.589 25.471 224.236   37.761  224.236   37.761  0.0000    0.0000  279.589 25.471 ?       ?      0.000000       25.47078 
1 1 1 -20 3  19 o 120.591 35.912 45.288    24.950  30.620    29.553  81.684    46.553  105.220 39.167 153.606 49.617 -48.38621      63.21365 
1 1 1 -20 3  21 o 177.433 27.792 92.881    25.570  94.467    35.537  91.179    36.819  171.491 39.470 167.080 41.331 4.411057       57.15058 
1 1 1 -20 3  23 o 92.645  37.372 18.352    28.614  98.380    52.106  -16.2022  34.239  163.580 52.457 76.774  35.471 86.80583       63.32431 
1 1 1 -20 3  25 o 125.349 36.487 50.704    26.005  64.383    35.463  34.792    38.248  137.348 43.192 110.762 43.692 26.58593       61.43742 
1 1 1 -20 3  27 o 115.341 39.568 43.770    29.513  32.370    34.350  75.920    57.683  105.696 41.498 139.526 54.056 -33.82998      68.14808 
1 1 1 -20 3  29 o 106.626 42.419 35.294    36.335  -19.4073  45.635  130.034   60.058  83.691  39.410 171.689 56.413 -87.99709      68.81561 
1 1 1 -20 3  31 o 123.017 42.770 57.591    34.540  49.532    38.685  89.269    76.699  114.885 44.336 131.899 57.544 -17.01466      72.64317 
1 1 1 -20 4  2  o 110.214 24.129 35.528    13.863  27.047    19.603  44.011    19.607  96.849  32.249 120.779 30.323 -23.93073      44.26642 
1 1 1 -20 4  4  o 131.885 27.114 51.269    18.531  52.837    21.001  45.750    39.389  132.685 30.200 123.798 45.373 8.887489       54.50436 
1 1 1 -20 4  6  o 137.695 37.257 59.098    28.172  59.098    28.172  0.0000    0.0000  137.695 37.257 ?       ?      0.000000       37.25700 
1 1 1 -20 4  8  o 143.168 25.283 59.465    18.697  61.475    21.027  51.876    40.859  144.396 28.173 129.779 46.396 14.61685       54.28005 
1 1 1 -20 4  10 o 192.254 22.887 104.909   23.126  104.909   23.126  0.0000    0.0000  192.254 22.887 ?       ?      0.000000       22.88654 
1 1 1 -20 4  12 o 101.598 30.822 30.573    18.254  20.289    20.276  74.552    41.929  88.899  32.558 150.138 46.924 -61.23859      57.11302 
1 1 1 -20 4  14 o 150.054 29.389 66.951    22.797  44.248    26.986  123.536   42.603  119.850 37.675 196.870 41.663 -77.01981      56.17157 
1 1 1 -20 4  16 o 137.512 32.210 57.589    23.330  22.536    26.865  165.102   47.049  96.146  36.991 229.611 39.654 -133.4648      54.22863 
1 1 1 -20 4  18 o 95.603  37.369 21.450    27.756  21.450    27.756  0.0000    0.0000  95.603  37.369 ?       ?      0.000000       37.36942 
1 1 1 -20 4  20 o 176.648 22.214 89.028    20.573  87.766    22.286  96.307    53.513  174.256 24.533 163.460 53.229 10.79613       58.61028 
1 1 1 -20 4  22 o 169.918 55.438 108.630   58.038  0.0000    0.0000  108.630   58.038  ?       ?      169.918 55.438 0.000000       55.43834 
1 1 1 -20 4  24 o 89.993  35.890 18.170    26.069  28.321    38.578  9.6386    35.366  106.594 43.255 91.688  39.540 14.90605       58.60366 
1 1 1 -20 4  26 o 180.926 31.043 100.732   29.027  157.837   39.507  33.736    42.791  224.719 33.841 110.842 45.334 113.8773       56.57177 
1 1 1 -20 4  28 o 194.887 33.784 121.340   34.020  144.785   41.757  75.058    58.669  208.039 38.867 136.146 53.984 71.89336       66.52011 
1 1 1 -20 4  30 o 106.216 40.878 37.783    32.815  36.851    36.637  41.562    73.785  106.151 42.475 116.427 53.152 -10.27556      68.03875 
1 1 1 -20 5  1  o 185.875 19.951 97.099    19.571  80.445    33.905  105.421   23.967  158.736 39.888 191.962 23.798 -33.22577      46.44768 
1 1 1 -20 5  3  o 138.838 24.149 55.779    17.323  62.829    26.559  50.560    22.852  142.621 34.996 128.607 32.984 14.01392       48.09047 
1 1 1 -20 5  5  o 230.049 17.513 146.584   21.438  142.193   24.275  162.148   45.702  225.319 20.313 229.001 38.597 -3.682434      43.61591 
1 1 1 -20 5  7  o 186.672 21.754 98.501    21.363  98.501    21.363  0.0000    0.0000  186.672 21.754 ?       ?      0.000000       21.75378 
1 1 1 -20 5  9  o 162.651 22.729 75.401    19.279  56.211    21.520  153.424   43.392  137.067 30.107 223.616 37.523 -86.54881      48.10839 
1 1 1 -20 5  11 o 163.159 24.869 76.732    21.066  64.057    23.049  141.016   51.909  146.388 30.364 206.010 47.905 -59.62181      56.71705 
1 1 1 -20 5  13 o 111.061 40.454 35.020    31.243  -2.8498   41.126  86.703    48.044  92.101  41.066 159.360 50.294 -67.25881      64.92987 
1 1 1 -20 5  15 o 223.739 22.044 141.450   26.099  134.791   29.120  168.646   58.846  216.475 25.586 222.774 50.443 -6.298355      56.56067 
1 1 1 -20 5  17 o 129.228 33.234 51.284    23.156  51.284    23.156  0.0000    0.0000  129.228 33.234 ?       ?      0.000000       33.23421 
1 1 1 -20 5  19 o 107.826 29.575 35.037    17.611  28.617    18.291  116.507   65.162  98.325  31.033 175.180 58.802 -76.85489      66.48818 
1 1 1 -20 5  21 o 148.295 42.609 72.848    35.671  76.180    43.475  65.984    62.403  148.700 47.940 140.410 55.675 8.290710       73.47093 
1 1 1 -20 5  23 o 93.279  33.230 24.561    20.942  7.6454    22.226  158.474   62.535  76.857  32.166 205.031 55.522 -128.1746      64.16652 
1 1 1 -20 5  25 o 96.707  40.410 18.705    35.001  44.178    42.593  -34.2712  61.424  118.752 46.327 93.857  44.646 24.89506       64.33850 
1 1 1 -20 5  27 o 125.046 40.245 53.521    30.648  75.077    38.718  17.347    50.156  143.664 45.123 103.634 45.825 40.02950       64.31136 
1 1 1 -20 5  29 o 132.533 43.742 65.521    36.093  67.791    40.189  56.060    82.057  132.695 46.135 124.235 56.459 8.460152       72.91165 
1 1 1 -20 6  2  o 372.356 18.895 384.942   37.597  353.831   44.983  457.037   68.478  353.337 23.886 392.652 32.830 -39.31567      40.60009 
1 1 1 -20 6  4  o 248.946 17.165 171.342   22.770  145.450   25.914  259.055   47.695  227.288 21.522 297.461 30.331 -70.17241      37.19113 
1 1 1 -20 6  6  f 210.433 19.571 123.738   21.827  134.280   24.054  74.574    51.945  218.737 20.760 148.966 52.413 69.77116       56.37434 
1 1 1 -20 6  8  o 54.854  26.254 -27.0091  21.940  -27.0091  21.940  0.0000    0.0000  54.854  26.254 ?       ?      0.000000       26.25425 
1 1 1 -20 6  10 o 177.398 29.132 92.562    26.745  70.861    30.642  161.968   54.801  150.414 37.988 221.721 47.529 -71.30714      60.84475 
1 1 1 -20 6  12 o 295.683 18.047 242.076   28.472  232.518   31.396  286.334   67.562  288.480 20.432 301.013 43.094 -12.53336      47.69263 
1 1 1 -20 6  14 o 342.477 19.719 326.594   36.053  326.594   36.053  0.0000    0.0000  342.477 19.719 ?       ?      0.000000       19.71855 
1 1 1 -20 6  16 o 169.981 25.530 83.646    22.547  83.097    26.482  85.092    42.989  166.776 30.750 159.221 47.075 7.555481       56.22831 
1 1 1 -20 6  18 o 118.972 40.071 43.662    30.262  43.662    30.262  0.0000    0.0000  118.972 40.071 ?       ?      0.000000       40.07106 
1 1 1 -20 6  20 o 108.713 34.010 36.019    22.020  49.202    23.684  -48.0708  59.816  125.758 34.216 91.082  43.528 34.67600       55.36612 
1 1 1 -20 6  22 o 226.444 26.061 149.397   31.062  115.142   34.723  286.614   69.496  192.562 34.920 293.201 45.700 -100.6385      57.51445 
1 1 1 -20 6  24 o 80.124  32.240 12.778    21.237  5.7734    22.660  63.356    60.890  75.433  32.069 134.887 54.479 -59.45403      63.21712 
1 1 1 -20 6  26 o 124.964 40.658 53.137    31.225  47.092    35.255  75.141    67.260  118.528 43.004 138.048 56.692 -19.52011      71.15659 
1 1 1 -20 6  28 o 168.770 40.908 99.933    36.629  87.082    42.283  138.575   73.322  150.289 47.146 166.296 61.735 -16.00734      77.67886 
1 1 1 -20 7  1  o 381.264 21.889 408.470   44.555  300.773   61.327  528.856   64.839  313.746 37.182 427.359 28.462 -113.6136      46.82528 
1 1 1 -20 7  3  f 213.792 39.581 142.777   43.697  0.0000    0.0000  142.777   43.697  ?       ?      213.792 39.581 0.000000       39.58108 
1 1 1 -20 7  5  o 244.940 21.222 168.406   27.594  151.992   33.990  200.137   47.258  228.675 28.331 257.801 35.104 -29.12579      45.11023 
1 1 1 -20 7  7  o 207.881 28.613 125.997   31.045  125.997   31.045  0.0000    0.0000  207.881 28.613 ?       ?      0.000000       28.61312 
1 1 1 -20 7  9  o 233.110 18.411 150.873   22.822  135.728   25.715  207.053   49.528  219.330 22.173 261.495 36.307 -42.16501      42.54245 
1 1 1 -20 7  11 o 241.904 18.178 162.297   23.403  138.649   26.240  254.264   51.747  221.559 22.398 292.287 33.635 -70.72861      40.41044 
1 1 1 -20 7  13 o 186.322 25.629 100.054   24.924  93.017    29.737  116.673   45.697  175.824 32.751 188.480 45.696 -12.65569      56.22056 
1 1 1 -20 7  15 o 398.707 16.310 436.671   34.863  407.164   39.567  539.113   73.723  382.691 19.348 427.184 32.432 -44.49252      37.76462 
1 1 1 -20 7  17 o 413.670 23.272 484.012   51.403  484.012   51.403  0.0000    0.0000  413.670 23.272 ?       ?      0.000000       23.27188 
1 1 1 -20 7  19 o 89.681  35.441 17.598    25.208  34.005    30.828  -15.5050  43.789  108.976 40.110 87.955  40.448 21.02045       56.96331 
1 1 1 -20 7  21 o 221.691 43.527 162.024   49.888  153.665   71.155  170.105   69.965  195.607 61.127 208.807 59.572 -13.19994      85.35444 
1 1 1 -20 7  23 o 138.403 33.158 60.139    24.281  69.909    26.316  4.1950    62.971  149.149 33.704 108.275 49.304 40.87406       59.72244 
1 1 1 -20 7  25 o 179.702 35.156 103.280   32.657  75.038    37.063  201.336   69.061  145.805 43.849 224.318 57.237 -78.51340      72.10271 
1 1 1 -20 7  27 o 140.541 51.989 80.644    51.907  80.644    51.907  0.0000    0.0000  140.541 51.989 ?       ?      0.000000       51.98873 
1 1 1 -20 8  2  o 211.874 17.560 124.587   19.767  144.037   29.499  108.734   26.631  224.198 24.965 193.788 26.313 30.41013       36.27198 
1 1 1 -20 8  4  o 234.266 20.378 153.680   25.339  142.705   30.262  179.424   46.348  222.866 25.805 242.473 36.810 -19.60718      44.95385 
1 1 1 -20 8  6  o 147.431 24.362 62.694    18.584  59.973    20.974  72.631    40.084  142.408 28.466 148.859 45.775 -6.450790      53.90426 
1 1 1 -20 8  8  o 80.097  29.662 15.563    16.906  15.563    16.906  0.0000    0.0000  80.097  29.662 ?       ?      0.000000       29.66201 
1 1 1 -20 8  10 o 182.549 21.072 93.918    20.245  90.413    22.832  106.807   43.787  177.513 24.656 180.653 45.294 -3.140366      51.56965 
1 1 1 -20 8  12 o 149.357 23.987 64.202    18.557  65.045    20.438  60.242    44.287  149.285 26.507 137.158 48.381 12.12662       55.16641 
1 1 1 -20 8  14 o 237.552 21.592 158.900   27.199  143.148   31.652  203.374   53.183  222.356 27.112 255.305 40.183 -32.94843      48.47389 
1 1 1 -20 8  16 o 139.431 28.429 57.812    20.531  77.792    22.646  -34.3771  48.647  163.088 26.834 85.963  40.544 77.12502       48.61936 
1 1 1 -20 8  18 o 190.158 24.087 103.965   24.006  103.965   24.006  0.0000    0.0000  190.158 24.087 ?       ?      0.000000       24.08704 
1 1 1 -20 8  20 o 164.014 33.474 83.055    28.438  95.568    31.307  24.004    68.009  175.559 34.492 120.554 53.331 55.00509       63.51279 
1 1 1 -20 8  22 o 133.008 50.419 60.811    49.448  156.495   77.686  -4.3598   64.113  189.186 64.201 105.990 48.816 83.19648       80.65201 
1 1 1 -20 8  24 o 170.019 40.485 97.357    36.374  70.982    42.837  165.520   68.864  139.624 47.672 197.919 59.827 -58.29482      76.49757 
1 1 1 -20 8  26 o 87.979  37.084 14.523    29.881  -7.5998   33.211  108.538   68.464  77.626  35.523 153.260 59.027 -75.63387      68.89217 
1 1 1 -20 9  1  o 218.195 17.048 132.021   19.785  126.330   29.304  136.787   26.820  208.434 26.848 219.109 23.183 -10.67509      35.47209 
1 1 1 -20 9  3  o 174.606 27.731 89.322    25.092  0.0000    0.0000  89.322    25.092  ?       ?      174.606 27.731 0.000000       27.73113 
1 1 1 -20 9  5  o 102.387 26.685 31.022    14.797  48.371    21.960  16.594    20.026  126.067 32.335 84.301  32.055 41.76601       45.53064 
1 1 1 -20 9  7  o 89.767  31.856 21.652    19.229  21.652    19.229  0.0000    0.0000  89.767  31.856 ?       ?      0.000000       31.85629 
1 1 1 -20 9  9  o 72.870  28.951 9.6460    16.904  1.8664    18.871  41.246    38.033  67.971  29.089 119.577 44.448 -51.60675      53.12109 
1 1 1 -20 9  11 o 141.869 29.132 59.858    21.416  63.752    24.066  45.036    46.950  145.296 31.779 125.738 48.753 19.55761       58.19602 
1 1 1 -20 9  13 o 221.487 22.782 139.110   26.667  144.422   30.959  123.838   52.495  223.739 26.312 189.658 50.665 34.08171       57.09002 
1 1 1 -20 9  15 o 265.879 18.579 196.720   26.317  185.780   29.395  240.910   59.078  256.727 21.556 276.333 41.131 -19.60553      46.43705 
1 1 1 -20 9  17 o 155.675 39.689 78.064    33.226  78.064    33.226  0.0000    0.0000  155.675 39.689 ?       ?      0.000000       39.68873 
1 1 1 -20 9  19 o 179.360 25.734 93.970    24.037  100.698   26.297  59.789    59.273  184.818 27.366 135.326 54.069 49.49174       60.60020 
1 1 1 -20 9  21 o 85.596  37.625 3.0722    33.339  15.095    39.060  -29.1901  63.985  97.921  41.878 97.907  46.275 0.1351166E-01  62.41089 
1 1 1 -20 9  23 o 108.214 41.700 34.935    34.182  30.105    39.353  49.778    68.982  106.662 43.532 127.218 55.042 -20.55630      70.17580 
1 1 1 -20 9  25 f 241.762 37.591 192.305   47.142  92.519    58.425  378.469   79.802  147.473 55.037 323.830 47.366 -176.3565      72.61226 
1 1 1 -20 10 2  o 83.554  31.760 16.600    19.655  13.652    22.689  25.464    39.348  83.506  33.421 106.795 43.551 -23.28921      54.89706 
1 1 1 -20 10 4  o 284.284 25.403 231.745   38.310  306.881   51.625  139.658   57.153  323.284 30.133 198.980 52.728 124.3044       60.73058 
1 1 1 -20 10 6  o 89.319  32.835 20.598    20.650  18.916    23.702  25.898    42.069  90.017  34.714 109.504 44.887 -19.48692      56.74393 
1 1 1 -20 10 8  o 180.718 24.773 93.998    23.371  93.998    23.371  0.0000    0.0000  180.718 24.773 ?       ?      0.000000       24.77341 
1 1 1 -20 10 10 o 119.383 29.795 42.912    19.010  58.611    20.819  -35.8025  46.619  140.395 28.630 83.551  39.492 56.84382       48.77844 
1 1 1 -20 10 12 o 255.975 18.888 182.581   25.737  178.881   28.671  197.936   58.407  251.999 21.425 245.720 46.027 6.278656       50.76891 
1 1 1 -20 10 14 o 93.783  31.634 25.204    18.860  54.171    20.172  -175.9509 53.157  134.504 28.839 60.860  30.912 73.64439       42.27570 
1 1 1 -20 10 16 o 240.549 44.694 190.462   55.518  190.462   55.518  0.0000    0.0000  240.549 44.694 ?       ?      0.000000       44.69365 
1 1 1 -20 10 18 o 240.031 32.693 174.985   40.978  174.985   40.978  0.0000    0.0000  240.031 32.693 ?       ?      0.000000       32.69326 
1 1 1 -20 10 20 o 157.101 41.147 82.679    35.069  82.679    35.069  0.0000    0.0000  157.101 41.147 ?       ?      0.000000       41.14690 
1 1 1 -20 10 22 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -20 11 1  o 120.505 26.164 43.252    16.419  28.432    24.339  55.628    22.243  99.671  35.790 134.535 31.408 -34.86421      47.61731 
1 1 1 -20 11 3  o 105.146 27.599 33.170    15.755  34.543    25.052  32.272    20.264  107.237 36.458 103.456 32.665 3.780281       48.95034 
1 1 1 -20 11 5  o 212.734 18.731 126.534   21.146  112.047   30.198  140.471   29.619  194.052 29.993 220.496 25.528 -26.44336      39.38604 
1 1 1 -20 11 7  o 165.863 22.582 78.706    19.559  174.145   26.371  -37.9859  29.160  249.257 19.900 61.425  29.622 187.8322       35.68542 
1 1 1 -20 11 9  o 214.326 21.049 129.669   23.874  130.025   26.364  128.043   56.281  213.366 23.433 189.077 53.252 24.28860       58.17983 
1 1 1 -20 11 11 o 187.837 23.709 101.264   23.345  91.421    25.298  157.717   60.586  176.301 27.676 210.077 53.614 -33.77696      60.33588 
1 1 1 -20 11 13 o 127.422 42.671 52.248    34.313  84.031    43.146  -2.4494   56.601  156.379 47.374 103.862 47.080 52.51707       66.78988 
1 1 1 -20 11 15 o 160.141 42.755 85.441    37.396  53.449    46.951  140.958   61.849  129.127 49.086 193.166 56.282 -64.03885      74.67994 
1 1 1 -20 11 17 f 123.374 42.291 49.489    33.713  49.489    33.713  0.0000    0.0000  123.374 42.291 ?       ?      0.000000       42.29080 
1 1 1 -20 11 19 o 102.798 42.538 24.195    38.247  34.849    54.004  13.472    54.176  116.926 49.600 106.443 47.318 10.48284       68.55069 
1 1 1 -20 12 2  o 212.520 22.429 129.380   25.169  121.794   43.619  133.167   30.817  190.216 43.692 212.170 27.757 -21.95419      51.76315 
1 1 1 -20 12 4  o 137.429 32.590 58.555    23.648  0.0000    0.0000  58.555    23.648  ?       ?      137.429 32.590 0.000000       32.58976 
1 1 1 -20 12 6  o 92.484  31.907 24.424    19.205  30.137    36.899  22.302    22.492  107.988 42.815 91.908  34.178 16.07996       54.78327 
1 1 1 -20 12 8  o 62.551  27.324 -0.9291   17.341  -18.5345  36.851  4.0779    19.652  78.953  36.590 70.550  29.924 8.402618       47.26840 
1 1 1 -20 12 10 o 67.302  30.979 -13.4476  25.769  -20.3343  28.792  14.283    57.776  68.045  31.806 111.211 49.178 -43.16642      58.56735 
1 1 1 -20 12 12 o 153.693 43.240 79.352    37.128  103.281   46.464  37.084    61.753  171.430 48.422 123.502 52.733 47.92765       71.59187 
1 1 1 -20 12 14 o 179.679 33.308 99.675    30.904  121.280   34.862  20.392    66.783  198.026 34.065 117.452 52.353 80.57314       62.46013 
1 1 1 -19 0  1  o 77.159  39.467 25.012    20.653  25.012    20.653  25.012    20.653  77.159  39.467 77.159  39.467 0.000000       0.000000 
1 1 1 -19 0  3  o 60.622  34.962 13.427    18.311  13.427    18.311  13.427    18.311  60.622  34.962 60.622  34.962 0.000000       0.000000 
1 1 1 -19 0  5  o 314.405 22.297 273.997   37.151  273.997   37.151  273.997   37.151  314.405 22.297 314.405 22.297 -0.000000      0.000000 
1 1 1 -19 0  7  o 210.703 24.264 126.199   26.466  126.199   26.466  126.199   26.466  210.703 24.264 210.703 24.264 -0.000000      0.000000 
1 1 1 -19 0  9  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -19 0  11 o 167.269 29.420 83.723    23.945  83.723    23.945  83.723    23.945  167.269 29.420 167.269 29.420 -0.000000      0.000000 
1 1 1 -19 0  13 o 207.558 27.097 124.406   28.731  124.406   28.731  124.406   28.731  207.558 27.097 207.558 27.097 -0.000000      0.000000 
1 1 1 -19 0  15 o 246.858 24.376 172.081   31.539  172.081   31.539  172.081   31.539  246.858 24.376 246.858 24.376 -0.000000      0.000000 
1 1 1 -19 0  17 f 65.937  42.423 5.2055    34.427  5.2055    34.427  5.2055    34.427  65.937  42.423 65.937  42.423 0.000000       0.000000 
1 1 1 -19 0  19 o 65.339  40.359 11.833    27.819  11.833    27.819  11.833    27.819  65.339  40.359 65.339  40.359 0.000000       0.000000 
1 1 1 -19 0  21 o 74.601  43.267 22.122    28.288  22.122    28.288  22.122    28.288  74.601  43.267 74.601  43.267 -0.000000      0.000000 
1 1 1 -19 0  23 o 55.399  38.675 -31.8863  41.998  -31.8863  41.998  -31.8863  41.998  55.399  38.675 55.399  38.675 -0.000000      0.000000 
1 1 1 -19 0  25 o 91.540  46.621 37.532    28.748  37.532    28.748  37.532    28.748  91.540  46.621 91.540  46.621 -0.000000      0.000000 
1 1 1 -19 0  27 f 100.831 51.188 46.832    34.591  46.832    34.591  46.832    34.591  100.831 51.188 100.831 51.188 0.000000       0.000000 
1 1 1 -19 0  29 o 55.901  37.692 -8.5941   32.668  -8.5941   32.668  -8.5941   32.668  55.901  37.692 55.901  37.692 0.000000       0.000000 
1 1 1 -19 0  31 o 113.206 56.398 62.100    41.570  62.100    41.570  62.100    41.570  113.206 56.398 113.206 56.398 0.000000       0.000000 
1 1 1 -19 0  33 o 191.008 78.169 183.896   78.907  183.896   78.907  183.896   78.907  191.008 78.169 191.008 78.169 0.000000       0.000000 
1 1 1 -19 0  35 o 96.464  62.872 46.174    79.003  46.174    79.003  46.174    79.003  96.464  62.872 96.464  62.872 0.000000       0.000000 
1 1 1 -19 1  2  o 255.139 17.750 179.124   24.129  171.952   30.812  190.497   38.800  247.577 23.495 258.077 28.518 -10.50021      36.94983 
1 1 1 -19 1  4  o 210.824 18.515 122.717   20.715  108.359   25.648  149.660   35.134  195.652 25.024 228.298 29.387 -32.64622      38.59811 
1 1 1 -19 1  6  o 82.346  26.135 18.820    12.959  37.098    20.120  5.8588    16.942  112.351 31.909 69.535  28.492 42.81535       42.77804 
1 1 1 -19 1  8  o 166.466 40.569 84.938    35.876  0.0000    0.0000  84.938    35.876  ?       ?      166.466 40.569 0.000000       40.56897 
1 1 1 -19 1  10 o 64.772  27.829 0.2512    17.394  -6.4079   27.232  4.8402    22.606  75.313  33.510 76.989  32.343 -1.676544      46.57249 
1 1 1 -19 1  12 o 232.676 18.871 149.476   23.338  153.069   28.283  141.809   41.315  233.922 22.843 218.248 36.605 15.67400       43.14817 
1 1 1 -19 1  14 o 152.802 26.140 67.160    20.645  67.619    24.788  66.121    37.301  151.185 31.599 145.469 44.045 5.716568       54.20699 
1 1 1 -19 1  16 o 109.071 33.887 35.057    21.904  12.442    35.178  49.376    27.993  96.652  40.460 127.245 38.072 -30.59241      55.55603 
1 1 1 -19 1  18 o 232.165 21.227 151.088   26.129  133.850   31.187  191.687   47.862  215.178 27.675 251.867 36.509 -36.68878      45.81259 
1 1 1 -19 1  20 o 210.029 21.018 124.227   23.349  109.464   31.162  143.127   35.258  191.532 31.438 219.940 30.741 -28.40790      43.96989 
1 1 1 -19 1  22 o 91.646  34.621 21.292    23.264  29.255    25.240  -23.6747  59.979  101.453 36.445 98.627  46.035 2.825363       58.71517 
1 1 1 -19 1  24 o 104.060 38.441 31.000    28.360  38.766    47.054  26.569    35.540  118.331 47.857 104.080 41.767 14.25088       63.51986 
1 1 1 -19 1  26 o 134.082 32.559 56.208    23.172  85.946    32.565  25.710    32.979  162.828 37.997 101.199 40.364 61.62867       55.43534 
1 1 1 -19 1  28 o 64.908  30.994 -29.9974  30.197  -8.7513   40.666  -56.1125  45.086  85.723  39.258 73.461  35.756 12.26215       53.10009 
1 1 1 -19 1  30 o 151.224 40.714 79.466    33.742  66.839    56.860  86.330    41.922  131.678 52.834 151.770 46.836 -20.09241      70.60508 
1 1 1 -19 1  32 o 184.186 33.250 110.501   31.626  114.824   42.539  105.160   47.287  174.331 45.153 159.725 49.818 14.60522       67.23567 
1 1 1 -19 1  34 o 103.605 48.299 24.935    65.702  24.935    65.702  0.0000    0.0000  103.605 48.299 ?       ?      0.000000       48.29942 
1 1 1 -19 2  1  o 177.208 16.226 86.475    15.245  114.149   21.843  60.191    21.287  202.357 20.412 143.394 28.691 58.96379       35.21160 
1 1 1 -19 2  3  o 79.612  27.912 16.304    14.725  8.4642    17.408  36.022    27.608  72.914  29.242 112.465 38.272 -39.55087      48.16447 
1 1 1 -19 2  5  o 191.818 41.944 113.368   41.934  113.368   41.934  0.0000    0.0000  191.818 41.944 ?       ?      0.000000       41.94450 
1 1 1 -19 2  7  o 300.875 17.788 248.468   28.565  264.940   35.336  217.401   48.528  309.108 21.455 273.175 33.860 35.93301       40.08531 
1 1 1 -19 2  9  o 278.710 16.301 212.519   24.251  224.092   28.532  182.393   46.034  285.304 18.758 248.963 35.493 36.34073       40.14474 
1 1 1 -19 2  11 o 143.246 25.194 58.797    18.642  58.797    18.642  0.0000    0.0000  143.246 25.194 ?       ?      0.000000       25.19431 
1 1 1 -19 2  13 o 98.195  31.083 27.555    18.340  25.853    20.925  33.192    38.091  97.171  33.318 115.252 44.117 -18.08067      55.28440 
1 1 1 -19 2  15 o 286.660 18.578 226.813   28.398  203.601   32.968  293.557   55.905  269.444 23.044 316.674 33.433 -47.22971      40.60549 
1 1 1 -19 2  17 o 297.870 17.396 244.496   27.659  260.368   37.654  225.895   40.763  304.221 23.263 280.686 27.439 23.53497       35.97291 
1 1 1 -19 2  19 o 200.785 24.569 115.352   25.896  89.215    32.133  163.777   43.738  170.047 36.348 231.877 36.380 -61.83003      51.42675 
1 1 1 -19 2  21 o 157.272 32.750 75.464    26.717  64.017    29.623  125.386   61.862  141.910 38.123 183.505 56.939 -41.59464      68.52278 
1 1 1 -19 2  23 o 97.221  34.066 27.169    21.932  23.030    27.289  34.719    36.859  96.030  37.188 111.615 43.220 -15.58472      57.01663 
1 1 1 -19 2  25 o 118.450 33.291 43.918    22.020  3.2573    29.306  96.639    33.370  81.695  35.608 174.208 36.878 -92.51354      51.26318 
1 1 1 -19 2  27 o 106.386 37.208 34.822    26.159  70.874    38.799  4.7752    35.420  142.255 45.229 88.247  38.786 54.00734       59.58184 
1 1 1 -19 2  29 o 90.822  36.422 19.780    27.006  20.096    31.870  18.974    50.858  94.491  38.940 105.315 46.377 -10.82336      60.55687 
1 1 1 -19 2  31 o 215.674 33.784 149.759   37.782  127.450   44.098  211.336   73.263  186.882 44.628 216.007 60.729 -29.12511      75.36351 
1 1 1 -19 2  33 o 83.870  39.581 -13.4563  46.493  -110.3334 61.253  118.226   71.413  72.433  36.336 145.881 58.972 -73.44749      69.26714 
1 1 1 -19 2  35 o 118.791 55.071 87.255    83.575  0.0000    0.0000  87.255    83.575  ?       ?      118.791 55.071 0.000000       55.07092 
1 1 1 -19 3  2  o 188.337 19.649 98.726    19.549  69.859    35.737  111.053   23.352  149.290 42.570 198.857 22.287 -49.56749      48.05094 
1 1 1 -19 3  4  o 47.300  21.352 -5.4865   11.503  -0.0483   13.483  -20.0340  22.052  57.023  24.501 58.943  27.641 -1.919643      36.93700 
1 1 1 -19 3  6  o 145.775 29.728 62.219    22.446  62.219    22.446  0.0000    0.0000  145.775 29.728 ?       ?      0.000000       29.72796 
1 1 1 -19 3  8  o 189.374 22.782 100.726   22.666  115.210   27.214  67.924    40.954  201.475 25.786 147.518 46.419 53.95711       53.10048 
1 1 1 -19 3  10 o 148.028 22.281 61.908    17.135  56.507    18.831  87.908    41.316  140.038 26.040 166.891 45.103 -26.85352      52.08051 
1 1 1 -19 3  12 o 153.725 23.594 67.137    18.824  59.848    21.220  94.063    40.783  143.159 28.647 172.862 43.918 -29.70328      52.43521 
1 1 1 -19 3  14 f 104.532 37.357 29.605    26.487  45.266    35.240  9.2706    40.156  124.106 43.199 99.479  42.500 24.62736       60.60021 
1 1 1 -19 3  16 o 150.487 23.155 64.583    18.082  68.533    19.728  43.829    45.220  154.528 24.641 125.763 48.085 28.76492       54.03112 
1 1 1 -19 3  18 o 229.691 25.829 151.251   31.255  151.251   31.255  0.0000    0.0000  229.691 25.829 ?       ?      0.000000       25.82852 
1 1 1 -19 3  20 o 143.920 33.146 63.437    25.047  69.603    29.368  46.984    47.972  148.912 36.959 126.650 49.233 22.26251       61.56179 
1 1 1 -19 3  22 o 113.803 33.660 39.940    21.975  28.595    29.970  53.134    32.319  103.188 39.219 128.355 41.329 -25.16759      56.97583 
1 1 1 -19 3  24 o 145.648 37.925 68.416    29.906  112.859   51.219  45.426    36.838  176.531 51.155 120.290 43.910 56.24106       67.41611 
1 1 1 -19 3  26 o 71.842  32.326 -5.7591   26.119  0.0001    37.813  -11.0146  36.122  88.193  39.346 80.898  37.030 7.294464       54.03111 
1 1 1 -19 3  28 o 83.060  34.325 12.458    24.858  -3.8911   32.523  35.429    38.551  79.968  36.019 110.290 43.751 -30.32276      56.67032 
1 1 1 -19 3  30 o 86.568  36.702 12.926    29.544  16.848    33.014  -2.8462   66.203  92.037  38.897 103.223 48.242 -11.18531      61.97009 
1 1 1 -19 3  32 o 96.913  39.544 26.867    32.464  31.301    36.373  9.4982    71.988  101.684 41.716 105.389 49.588 -3.705017      64.80109 
1 1 1 -19 3  34 o 98.466  47.575 -1.7676   76.089  0.0000    0.0000  -1.7676   76.089  ?       ?      98.466  47.575 0.000000       47.57475 
1 1 1 -19 4  1  o 184.628 20.145 95.314    19.617  92.119    24.656  100.826   32.385  178.852 26.516 183.368 34.200 -4.515533      43.27524 
1 1 1 -19 4  3  o 141.936 24.976 57.931    18.312  67.908    21.168  28.263    36.503  153.254 26.735 109.761 42.869 43.49349       50.52221 
1 1 1 -19 4  5  o 93.425  28.904 24.957    15.954  24.316    18.046  27.253    34.142  93.422  30.934 107.585 41.614 -14.16211      51.85233 
1 1 1 -19 4  7  o 208.351 21.054 121.063   23.196  121.063   23.196  0.0000    0.0000  208.351 21.054 ?       ?      0.000000       21.05421 
1 1 1 -19 4  9  o 71.013  28.549 7.7952    16.637  -1.3791   18.682  42.951    36.570  65.437  28.477 122.872 43.897 -57.43475      52.32510 
1 1 1 -19 4  11 o 68.704  27.615 7.2414    15.563  13.278    17.287  -18.5683  35.747  78.236  29.775 79.701  36.613 -1.464867      47.19111 
1 1 1 -19 4  13 o 104.769 30.538 32.277    18.206  33.521    21.156  28.727    35.738  106.943 33.317 109.522 42.516 -2.578781      54.01526 
1 1 1 -19 4  15 o 155.947 21.815 68.829    17.740  76.274    19.227  26.222    45.998  164.057 22.449 113.999 46.857 50.05789       51.95687 
1 1 1 -19 4  17 o 150.118 29.869 66.928    23.194  75.464    26.098  34.851    50.593  158.693 31.783 121.212 49.402 37.48089       58.74288 
1 1 1 -19 4  19 o 167.250 32.861 84.742    28.415  84.742    28.415  0.0000    0.0000  167.250 32.861 ?       ?      0.000000       32.86102 
1 1 1 -19 4  21 o 96.876  34.417 26.341    22.450  26.790    24.633  24.139    54.545  98.579  35.919 115.039 49.350 -16.45991      61.03791 
1 1 1 -19 4  23 o 208.651 22.889 124.576   25.185  184.866   35.256  61.754    35.989  252.057 26.485 136.301 43.584 115.7549       51.00005 
1 1 1 -19 4  25 o 125.869 44.203 51.976    36.938  0.0000    0.0000  51.976    36.938  ?       ?      125.869 44.203 0.000000       44.20332 
1 1 1 -19 4  27 o 163.507 30.994 82.220    26.176  80.623    34.768  84.308    39.770  154.503 41.213 154.887 45.132 -0.3836823     61.11835 
1 1 1 -19 4  29 o 165.373 34.985 88.378    30.050  56.862    35.803  163.495   55.275  127.176 43.582 209.132 49.980 -81.95541      66.31310 
1 1 1 -19 4  31 o 104.691 40.490 35.213    32.320  47.450    36.491  -9.3276   69.619  115.631 43.428 100.781 47.820 14.85001       64.59656 
1 1 1 -19 4  33 o 104.554 45.653 34.408    48.366  26.825    63.402  44.965    74.805  105.098 48.456 113.148 52.330 -8.049728      71.31899 
1 1 1 -19 5  2  o 341.689 18.121 322.100   33.077  346.617   40.119  270.057   58.450  352.592 21.323 299.585 37.191 53.00668       42.87025 
1 1 1 -19 5  4  o 284.568 15.833 221.906   24.061  227.186   27.272  203.363   51.106  287.125 17.804 259.710 37.814 27.41534       41.79562 
1 1 1 -19 5  6  o 100.145 28.948 29.304    16.420  36.476    18.395  1.1901    36.421  111.022 30.134 90.823  39.638 20.19865       49.79166 
1 1 1 -19 5  8  o 223.193 23.736 140.452   27.966  140.452   27.966  0.0000    0.0000  223.193 23.736 ?       ?      0.000000       23.73557 
1 1 1 -19 5  10 o 200.772 19.759 112.188   20.993  118.984   23.376  83.855    47.727  206.150 21.465 160.077 50.069 46.07260       54.47618 
1 1 1 -19 5  12 f 184.280 25.521 97.131    24.537  93.581    27.871  109.366   51.738  178.686 30.167 180.910 51.094 -2.224167      59.33559 
1 1 1 -19 5  14 o 228.856 22.905 147.660   27.726  174.137   31.430  54.771    58.870  248.159 23.920 137.948 54.273 110.2103       59.31071 
1 1 1 -19 5  16 o 227.277 26.499 148.505   31.683  135.949   37.167  181.885   60.601  213.111 33.646 233.725 49.881 -20.61406      60.16815 
1 1 1 -19 5  18 o 178.290 22.503 90.417    21.031  77.516    22.476  181.192   59.619  163.043 26.632 232.348 49.382 -69.30458      56.10550 
1 1 1 -19 5  20 o 166.081 21.536 78.443    18.724  82.493    20.846  61.523    42.605  169.445 23.586 136.731 47.504 32.71367       53.03713 
1 1 1 -19 5  22 o 144.673 32.230 64.175    24.359  64.043    27.072  64.738    55.823  142.800 35.510 138.997 53.360 3.803452       64.09528 
1 1 1 -19 5  24 o 152.656 40.485 76.528    33.676  0.0000    0.0000  76.528    33.676  ?       ?      152.656 40.485 0.000000       40.48480 
1 1 1 -19 5  26 o 134.769 38.761 59.676    29.506  58.469    34.056  63.311    59.087  131.845 42.422 135.110 53.983 -3.264404      68.65755 
1 1 1 -19 5  28 o 127.840 36.691 53.813    26.464  68.251    34.895  34.268    40.601  139.891 42.655 109.781 44.435 30.10957       61.59447 
1 1 1 -19 5  30 o 130.832 44.321 63.040    37.023  63.040    37.023  0.0000    0.0000  130.832 44.321 ?       ?      0.000000       44.32115 
1 1 1 -19 5  32 o 79.297  36.158 -1.7605   34.017  32.638    38.543  -122.9409 72.344  102.379 42.561 78.035  39.193 24.34460       57.85771 
1 1 1 -19 6  1  o 165.552 29.709 80.956    25.400  82.197    32.501  79.009    40.713  162.469 37.992 155.273 45.784 7.195984       59.49433 
1 1 1 -19 6  3  o 117.280 32.989 41.464    21.613  41.584    26.507  41.226    37.330  117.437 37.389 120.147 44.150 -2.710548      57.85500 
1 1 1 -19 6  5  o 119.836 25.691 41.897    16.010  40.401    17.424  50.011    40.578  116.932 28.135 129.200 46.231 -12.26852      54.11939 
1 1 1 -19 6  7  o 101.333 27.618 30.153    15.415  29.282    16.554  35.837    42.282  99.963  29.115 118.630 46.192 -18.66674      54.60180 
1 1 1 -19 6  9  o 57.397  25.416 -3.7174   15.484  -3.7174   15.484  0.0000    0.0000  57.397  25.416 ?       ?      0.000000       25.41628 
1 1 1 -19 6  11 o 162.856 26.258 76.589    22.147  76.589    22.147  0.0000    0.0000  162.856 26.258 ?       ?      0.000000       26.25766 
1 1 1 -19 6  13 o 274.922 25.211 214.826   36.746  214.826   36.746  0.0000    0.0000  274.922 25.211 ?       ?      0.000000       25.21092 
1 1 1 -19 6  15 o 274.306 26.103 215.268   37.925  216.484   53.597  214.049   53.670  265.559 38.789 263.745 39.143 1.814270       55.10724 
1 1 1 -19 6  17 o 328.346 16.981 297.419   29.790  293.407   34.276  309.807   60.232  324.481 19.797 320.386 35.671 4.095184       40.79682 
1 1 1 -19 6  19 o 126.336 36.968 49.934    26.633  49.934    26.633  0.0000    0.0000  126.336 36.968 ?       ?      0.000000       36.96840 
1 1 1 -19 6  21 o 223.140 28.555 146.253   33.378  123.306   44.633  175.369   50.276  193.467 44.022 234.108 41.580 -40.64168      60.55419 
1 1 1 -19 6  23 o 164.031 28.361 80.024    24.039  64.576    26.105  166.184   61.652  143.846 34.327 214.254 53.760 -70.40802      63.78458 
1 1 1 -19 6  25 o 142.857 27.873 61.260    20.581  61.302    21.702  60.884    64.869  142.069 29.459 135.421 55.651 6.648743       62.96746 
1 1 1 -19 6  27 o 202.729 27.241 122.465   28.859  153.977   40.295  89.280    41.351  220.737 35.234 157.994 46.016 62.74315       57.95552 
1 1 1 -19 6  29 o 76.625  35.958 -19.6289  37.427  -19.6289  37.427  0.0000    0.0000  76.625  35.958 ?       ?      0.000000       35.95814 
1 1 1 -19 6  31 o 128.739 43.973 63.274    36.447  54.400    41.971  90.487    73.496  119.539 46.167 135.353 57.654 -15.81461      73.86033 
1 1 1 -19 7  2  o 326.106 15.281 290.913   26.717  275.586   37.578  306.581   37.993  313.030 22.542 330.905 21.533 -17.87592      31.17355 
1 1 1 -19 7  4  o 246.502 31.336 178.496   40.476  178.496   40.476  0.0000    0.0000  246.502 31.336 ?       ?      0.000000       31.33550 
1 1 1 -19 7  6  o 121.362 23.825 42.597    14.949  42.368    16.687  43.530    33.639  120.117 26.612 121.004 42.201 -0.8874283     49.89118 
1 1 1 -19 7  8  o 158.345 21.877 71.008    18.076  77.602    20.464  47.600    38.559  164.862 23.846 126.225 45.077 38.63694       50.99540 
1 1 1 -19 7  10 o 117.886 32.016 41.811    20.758  48.381    25.847  29.878    34.837  125.671 36.317 109.124 42.084 16.54720       55.58789 
1 1 1 -19 7  12 o 194.076 23.406 106.953   23.862  107.754   28.933  105.251   42.196  192.062 29.001 180.775 43.961 11.28697       52.66589 
1 1 1 -19 7  14 o 87.906  30.846 20.803    17.985  27.294    20.601  0.0005    36.878  97.913  33.062 89.654  39.486 8.259262       51.49940 
1 1 1 -19 7  16 o 192.346 23.461 105.422   23.692  108.646   28.426  98.089    42.876  192.797 28.347 172.370 45.667 20.42789       53.74964 
1 1 1 -19 7  18 o 176.848 30.191 92.923    27.598  111.324   34.338  59.351    46.381  191.053 34.806 135.935 49.324 55.11804       60.36844 
1 1 1 -19 7  20 o 66.577  29.028 -0.6494   19.490  6.3042    22.624  -20.6588  38.379  76.890  32.331 80.324  37.266 -3.434013      49.33667 
1 1 1 -19 7  22 o 44.891  21.816 -26.5958  16.610  -19.1461  17.637  -85.0266  49.394  50.636  24.039 72.133  35.576 -21.49671      42.93628 
1 1 1 -19 7  24 o 167.651 40.338 92.062    35.817  60.870    42.902  163.805   65.066  134.019 47.581 207.215 56.853 -73.19670      74.13624 
1 1 1 -19 7  26 f 100.189 34.209 30.417    22.058  20.950    23.619  95.032    61.704  90.270  34.695 153.895 56.731 -63.62457      66.49913 
1 1 1 -19 7  28 o 172.152 40.807 101.645   37.089  101.645   37.089  0.0000    0.0000  172.152 40.807 ?       ?      0.000000       40.80652 
1 1 1 -19 7  30 o 116.254 43.140 48.491    35.796  65.321    40.864  -7.0173   74.213  129.773 46.398 102.965 49.006 26.80771       67.48599 
1 1 1 -19 8  1  o 94.656  30.018 25.992    17.099  25.265    20.699  27.555    30.343  95.290  33.111 103.704 39.451 -8.414360      51.50444 
1 1 1 -19 8  3  o 132.541 33.873 53.656    24.160  49.276    33.588  58.353    34.779  126.275 42.218 135.614 42.790 -9.339607      60.11107 
1 1 1 -19 8  5  o 76.025  34.370 -9.8278   29.934  0.0000    0.0000  -9.8278   29.934  ?       ?      76.025  34.370 0.000000       34.36972 
1 1 1 -19 8  7  o 90.559  31.363 22.408    18.564  36.794    22.423  -8.9371   33.098  110.914 34.258 80.587  36.313 30.32688       49.92236 
1 1 1 -19 8  9  f 73.583  28.613 10.889    16.208  10.889    16.208  0.0000    0.0000  73.583  28.613 ?       ?      0.000000       28.61345 
1 1 1 -19 8  11 o 84.791  28.169 19.976    14.960  20.889    16.597  16.019    34.543  87.169  29.674 97.865  40.455 -10.69595      50.17113 
1 1 1 -19 8  13 o 119.585 26.700 42.118    16.685  49.482    18.495  9.9096    38.679  129.545 27.480 97.380  41.660 32.16556       49.90732 
1 1 1 -19 8  15 o 349.088 22.037 341.953   41.032  341.953   41.032  0.0000    0.0000  349.088 22.037 ?       ?      0.000000       22.03673 
1 1 1 -19 8  17 o 199.268 32.435 118.773   33.460  107.860   45.670  131.418   49.160  179.962 46.870 199.276 46.810 -19.31403      66.24190 
1 1 1 -19 8  19 o 127.486 42.518 51.342    34.068  51.342    34.068  0.0000    0.0000  127.486 42.518 ?       ?      0.000000       42.51754 
1 1 1 -19 8  21 o 50.764  24.498 -28.0810  20.032  -32.0901  21.789  -6.1758   50.931  52.143  25.257 98.294  44.597 -46.15035      51.25228 
1 1 1 -19 8  23 o 72.197  31.254 1.7719    22.266  2.0410    23.897  -0.0000   61.324  74.593  32.335 107.122 48.731 -32.52957      58.48250 
1 1 1 -19 8  25 o 109.961 38.710 37.617    28.338  51.661    32.456  -7.4352   58.131  124.791 41.493 100.608 46.390 24.18314       62.23915 
1 1 1 -19 8  27 o 124.382 40.602 52.770    31.129  50.092    34.715  63.761    70.334  121.091 42.821 132.022 56.321 -10.93036      70.75116 
1 1 1 -19 8  29 o 109.482 47.089 34.240    49.892  23.556    74.033  43.129    67.531  112.601 52.071 117.959 52.607 -5.357292      74.01968 
1 1 1 -19 9  2  o 148.040 20.527 61.922    15.853  76.466    24.121  50.861    21.035  161.120 28.990 130.166 30.649 30.95393       42.18742 
1 1 1 -19 9  4  o 113.951 24.921 37.921    14.801  34.270    21.987  40.946    20.015  107.517 34.033 116.705 31.331 -9.188339      46.25891 
1 1 1 -19 9  6  o 129.556 22.981 48.209    15.378  39.046    23.021  55.592    20.664  113.896 34.628 136.987 29.037 -23.09068      45.19114 
1 1 1 -19 9  8  o 116.731 26.694 40.092    16.343  43.615    18.120  24.732    37.834  121.302 28.369 107.005 43.040 14.29686       51.54858 
1 1 1 -19 9  10 f 66.521  27.279 5.6150    15.546  20.429    17.016  -69.1479  38.227  86.853  30.030 64.391  31.668 22.46175       43.64278 
1 1 1 -19 9  12 o 113.020 28.637 37.968    17.373  31.322    18.994  71.985    42.974  103.010 31.483 148.341 47.646 -45.33123      57.10828 
1 1 1 -19 9  14 o 88.109  33.291 18.549    21.515  2.9630    25.379  58.369    40.565  78.267  33.621 135.676 46.390 -57.40862      57.29277 
1 1 1 -19 9  16 o 129.503 29.380 50.096    19.930  39.244    22.654  87.261    41.924  113.802 34.294 162.447 46.034 -48.64468      57.40402 
1 1 1 -19 9  18 f 109.245 32.480 36.032    20.422  36.032    20.422  0.0000    0.0000  109.245 32.480 ?       ?      0.000000       32.48006 
1 1 1 -19 9  20 o 148.461 31.820 67.046    24.566  60.700    27.847  89.317    52.166  138.711 36.829 158.551 52.599 -19.84010      64.21085 
1 1 1 -19 9  22 o 106.570 38.553 33.260    28.305  36.489    32.208  22.309    59.318  111.160 40.985 115.532 50.499 -4.371437      65.03828 
1 1 1 -19 9  24 o 185.202 51.442 126.834   52.903  15.848    82.491  204.372   68.949  121.101 55.626 231.645 56.111 -110.5442      79.01077 
1 1 1 -19 9  26 o 133.800 47.045 64.939    41.845  44.576    52.055  102.129   70.349  119.647 49.577 152.596 59.536 -32.94891      77.47518 
1 1 1 -19 9  28 o 119.810 54.889 39.674    79.603  39.674    79.603  0.0000    0.0000  119.810 54.889 ?       ?      0.000000       54.88918 
1 1 1 -19 10 1  o 220.005 19.189 134.935   22.407  127.173   28.017  148.712   37.325  210.600 25.321 223.857 32.011 -13.25690      40.81532 
1 1 1 -19 10 3  o 173.859 19.486 84.619    17.851  88.510    26.265  81.279    24.335  173.516 29.276 166.622 28.250 6.893997       40.68352 
1 1 1 -19 10 5  o 90.314  29.597 23.065    16.535  4.7787    29.638  31.328    19.924  84.917  36.402 103.208 32.361 -18.29089      48.70631 
1 1 1 -19 10 7  o 146.771 21.910 61.207    16.713  67.624    24.113  55.275    23.185  150.640 30.894 135.319 32.390 15.32091       44.76065 
1 1 1 -19 10 9  o 88.337  32.229 19.875    19.841  19.875    19.841  0.0000    0.0000  88.337  32.229 ?       ?      0.000000       32.22860 
1 1 1 -19 10 11 o 155.664 28.091 70.987    22.581  99.619    25.664  -27.1599  47.516  185.805 26.515 88.363  41.154 97.44173       48.95623 
1 1 1 -19 10 13 o 71.749  34.527 -47.4627  39.123  0.0000    0.0000  -47.4627  39.123  ?       ?      71.749  34.527 0.000000       34.52702 
1 1 1 -19 10 15 o 96.166  30.237 26.963    17.381  15.056    18.806  96.736    45.524  81.401  31.036 169.906 47.907 -88.50455      57.08210 
1 1 1 -19 10 17 o 92.810  31.296 24.437    18.459  21.053    19.953  44.517    48.608  89.379  32.364 125.535 49.340 -36.15701      59.00709 
1 1 1 -19 10 19 o 152.641 31.661 70.718    25.060  70.718    25.060  0.0000    0.0000  152.641 31.661 ?       ?      0.000000       31.66105 
1 1 1 -19 10 21 f 123.982 45.302 48.809    39.223  48.809    39.223  0.0000    0.0000  123.982 45.302 ?       ?      0.000000       45.30157 
1 1 1 -19 10 23 o 142.924 49.754 73.747    46.747  131.855   81.047  44.777    57.226  171.359 64.646 123.955 51.722 47.40361       82.79109 
1 1 1 -19 10 25 o 150.460 55.234 92.456    58.406  92.456    58.406  0.0000    0.0000  150.460 55.234 ?       ?      0.000000       55.23428 
1 1 1 -19 10 27 f 149.599 62.900 117.463   85.620  117.463   85.620  0.0000    0.0000  149.599 62.900 ?       ?      0.000000       62.89996 
1 1 1 -19 11 2  o 90.689  31.429 22.675    18.644  3.9948    21.007  91.963    40.458  72.996  30.948 167.663 44.332 -94.66723      54.06567 
1 1 1 -19 11 4  o 120.691 37.131 44.659    26.371  79.845    33.241  -15.0959  43.318  159.314 39.188 88.747  40.597 70.56744       56.42507 
1 1 1 -19 11 6  o 112.729 32.067 38.213    20.303  46.093    23.282  13.196    41.484  122.971 34.116 101.869 43.351 21.10185       55.16528 
1 1 1 -19 11 8  o 84.397  29.447 19.044    16.379  39.411    21.846  -7.1067   24.753  114.296 33.491 70.415  31.594 43.88081       46.04197 
1 1 1 -19 11 10 o 196.962 24.533 110.792   25.345  93.401    29.205  163.839   51.007  176.934 31.964 227.038 43.488 -50.10457      53.97169 
1 1 1 -19 11 12 o 168.817 37.481 88.414    33.039  89.162    45.259  87.561    48.342  163.169 48.317 160.688 50.412 2.481018       69.82730 
1 1 1 -19 11 14 o 178.783 26.370 92.665    24.517  94.042    27.788  87.825    52.084  178.158 30.170 159.318 52.544 18.83926       60.58917 
1 1 1 -19 11 16 o 173.465 25.165 86.985    22.721  94.321    24.939  51.166    55.106  179.992 26.649 131.768 52.297 48.22401       58.69519 
1 1 1 -19 11 18 o 107.180 43.665 26.082    39.503  26.082    39.503  0.0000    0.0000  107.180 43.665 ?       ?      0.000000       43.66483 
1 1 1 -19 11 20 o 86.947  37.087 8.6826    30.489  11.241    38.115  4.1368    50.808  95.557  41.129 101.686 45.470 -6.128952      61.31141 
1 1 1 -19 11 22 o 192.802 56.189 145.581   61.638  145.581   61.638  0.0000    0.0000  192.802 56.189 ?       ?      0.000000       56.18874 
1 1 1 -19 11 24 o 81.613  38.613 -27.1786  44.758  -56.5274  75.716  -11.4146  55.491  96.176  46.702 95.695  44.537 0.4813995      64.53359 
1 1 1 -19 12 1  f 86.910  29.123 21.309    15.984  0.1952    22.258  43.790    22.967  71.389  31.076 119.137 34.178 -47.74810      46.19361 
1 1 1 -19 12 3  o 89.308  28.440 22.988    15.337  39.114    20.868  4.0479    22.616  113.443 32.588 75.121  31.989 38.32214       45.66525 
1 1 1 -19 12 5  o 94.148  29.428 25.841    16.490  35.318    23.748  17.016    22.915  108.771 35.461 87.527  34.026 21.24462       49.14523 
1 1 1 -19 12 7  o 94.261  29.764 25.820    16.825  22.919    24.292  28.494    23.326  94.891  35.473 100.500 35.136 -5.609428      49.92912 
1 1 1 -19 12 9  o 44.537  21.212 -16.7300  13.955  14.986    21.902  -38.4024  18.105  84.494  33.148 43.210  21.354 41.28481       39.43074 
1 1 1 -19 12 11 o 94.252  32.516 24.884    19.944  27.979    21.606  7.0501    51.864  98.977  33.856 106.080 46.768 -7.102348      57.73608 
1 1 1 -19 12 13 o 86.885  37.908 2.6090    33.288  35.175    42.547  -48.7841  53.449  116.210 46.006 86.011  41.116 30.19927       61.70129 
1 1 1 -19 12 15 o 183.653 34.726 103.551   32.940  92.675    38.476  133.396   63.737  168.266 42.607 188.667 57.673 -20.40167      71.70435 
1 1 1 -19 12 17 o 179.607 40.676 104.509   38.258  104.509   38.258  0.0000    0.0000  179.607 40.676 ?       ?      0.000000       40.67561 
1 1 1 -19 12 19 o 88.204  36.986 12.068    29.474  16.491    38.932  6.1293    45.112  99.165  42.093 98.037  43.399 1.128471       60.45876 
1 1 1 -19 12 21 o 87.785  39.377 -0.9312   38.425  52.566    67.634  -26.4289  46.693  129.644 55.266 84.553  39.830 45.09150       68.12358 
1 1 1 -19 13 2  o 75.727  30.219 10.827    18.493  34.877    31.363  -1.9916   22.896  109.774 40.448 70.480  31.073 39.29423       51.00594 
1 1 1 -19 13 4  o 142.990 37.530 64.821    29.134  0.0000    0.0000  64.821    29.134  ?       ?      142.990 37.530 0.000000       37.52953 
1 1 1 -19 13 6  o 161.121 28.106 76.677    23.396  113.973   43.728  61.719    27.693  185.842 44.481 140.194 36.490 45.64774       57.53308 
1 1 1 -19 13 8  o 71.175  34.006 -38.0891  36.460  -38.0891  36.460  0.0000    0.0000  71.175  34.006 ?       ?      0.000000       34.00552 
1 1 1 -19 13 10 o 88.189  33.357 19.072    21.613  -52.4019  59.110  30.103    23.221  89.729  42.985 101.867 35.089 -12.13823      55.48831 
1 1 1 -19 13 12 o 96.519  39.780 17.398    33.266  -13.9988  41.583  73.211    55.441  86.471  39.636 145.592 53.755 -59.12201      66.78781 
1 1 1 -19 13 14 o 238.402 29.941 168.612   37.425  178.480   44.987  146.432   67.445  240.480 36.000 194.413 59.306 46.06638       69.37677 
1 1 1 -19 13 16 o 132.909 54.566 55.132    62.288  55.132    62.288  0.0000    0.0000  132.909 54.566 ?       ?      0.000000       54.56570 
1 1 1 -18 0  2  o 166.323 28.479 81.965    23.160  81.965    23.160  81.965    23.160  166.323 28.479 166.323 28.479 0.000000       0.000000 
1 1 1 -18 0  4  o 201.704 36.656 122.989   35.760  122.989   35.760  122.989   35.760  201.704 36.656 201.704 36.656 0.000000       0.000000 
1 1 1 -18 0  6  o 104.880 43.944 43.361    24.796  43.361    24.796  43.361    24.796  104.880 43.944 104.880 43.944 0.000000       0.000000 
1 1 1 -18 0  8  o 136.632 48.019 68.555    31.905  68.555    31.905  68.555    31.905  136.632 48.019 136.632 48.019 0.000000       0.000000 
1 1 1 -18 0  10 o 249.566 22.728 173.655   29.831  173.655   29.831  173.655   29.831  249.566 22.728 249.566 22.728 -0.000000      0.000000 
1 1 1 -18 0  12 o 217.512 35.362 140.730   37.967  140.730   37.967  140.730   37.967  217.512 35.362 217.512 35.362 -0.000000      0.000000 
1 1 1 -18 0  14 o 273.351 22.442 207.538   32.379  207.538   32.379  207.538   32.379  273.351 22.442 273.351 22.442 0.000000       0.000000 
1 1 1 -18 0  16 o 65.786  36.994 16.655    19.791  16.655    19.791  16.655    19.791  65.786  36.994 65.786  36.994 0.000000       0.000000 
1 1 1 -18 0  18 o 82.516  42.335 28.632    23.805  28.632    23.805  28.632    23.805  82.516  42.335 82.516  42.335 0.000000       0.000000 
1 1 1 -18 0  20 o 314.522 24.140 275.908   40.155  275.908   40.155  275.908   40.155  314.522 24.140 314.522 24.140 -0.000000      0.000000 
1 1 1 -18 0  22 o 72.833  40.787 21.459    23.923  21.459    23.923  21.459    23.923  72.833  40.787 72.833  40.787 0.000000       0.000000 
1 1 1 -18 0  24 o 108.009 47.094 48.625    28.318  48.625    28.318  48.625    28.318  108.009 47.094 108.009 47.094 0.000000       0.000000 
1 1 1 -18 0  26 o 94.205  47.406 39.535    29.518  39.535    29.518  39.535    29.518  94.205  47.406 94.205  47.406 0.000000       0.000000 
1 1 1 -18 0  28 o 72.462  42.804 20.172    28.548  20.172    28.548  20.172    28.548  72.462  42.804 72.462  42.804 0.000000       0.000000 
1 1 1 -18 0  30 o 67.854  45.540 -6.4247   46.650  -6.4247   46.650  -6.4247   46.650  67.854  45.540 67.854  45.540 0.000000       0.000000 
1 1 1 -18 0  32 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -18 0  34 o 94.258  54.143 43.063    43.637  43.063    43.637  43.063    43.637  94.258  54.143 94.258  54.143 0.000000       0.000000 
1 1 1 -18 0  36 o 61.898  44.051 -57.8157  63.523  -57.8157  63.523  -57.8157  63.523  61.898  44.051 61.898  44.051 -0.000000      0.000000 
1 1 1 -18 1  1  f 271.261 21.155 203.349   30.523  174.821   40.599  240.438   46.291  246.979 31.368 290.825 30.126 -43.84604      43.49179 
1 1 1 -18 1  3  o 278.867 17.204 212.551   25.596  186.061   42.111  228.072   32.234  255.143 31.451 287.559 21.054 -32.41641      37.84733 
1 1 1 -18 1  5  o 392.622 14.627 417.851   30.789  443.925   44.167  393.201   42.944  402.033 20.560 377.984 21.278 24.04944       29.58795 
1 1 1 -18 1  7  o 449.728 17.105 550.369   41.243  639.185   51.093  384.260   69.874  483.481 19.711 365.051 36.178 118.4294       41.19922 
1 1 1 -18 1  9  o 362.427 16.999 357.392   33.030  388.119   40.845  299.327   56.148  375.978 20.339 323.871 32.788 52.10632       38.58381 
1 1 1 -18 1  11 o 316.365 17.825 273.637   30.110  281.219   37.703  260.285   50.030  319.047 22.180 302.483 31.303 16.56369       38.36475 
1 1 1 -18 1  13 o 252.982 22.842 177.794   30.647  201.999   43.791  154.557   42.906  265.885 31.321 229.889 35.993 35.99565       47.71288 
1 1 1 -18 1  15 o 128.875 24.918 47.547    16.594  28.211    21.334  77.165    26.403  100.989 33.644 162.680 31.410 -61.69121      46.02761 
1 1 1 -18 1  17 o 117.548 27.167 40.194    16.778  27.312    22.277  57.080    25.505  100.126 34.375 138.233 34.519 -38.10693      48.71493 
1 1 1 -18 1  19 o 99.134  34.643 26.610    22.675  27.897    29.612  24.785    35.254  105.086 39.189 106.480 41.965 -1.394463      57.41853 
1 1 1 -18 1  21 o 195.764 21.685 107.723   22.377  97.454    30.647  119.448   32.750  180.906 32.806 201.530 31.329 -20.62440      45.36232 
1 1 1 -18 1  23 f 144.767 28.239 62.044    21.131  67.286    29.493  56.516    30.289  146.402 37.431 133.588 39.519 12.81476       54.43189 
1 1 1 -18 1  25 o 145.023 39.471 68.346    31.510  61.625    43.990  75.429    45.159  135.327 48.166 147.027 48.947 -11.70033      68.67143 
1 1 1 -18 1  27 o 201.182 27.840 120.427   29.224  131.680   48.277  113.920   36.715  193.835 46.952 188.205 37.700 5.630219       60.21497 
1 1 1 -18 1  29 o 84.141  34.984 12.389    26.048  75.230    44.641  -20.0500  32.073  142.911 48.666 71.416  33.441 71.49509       59.04868 
1 1 1 -18 1  31 o 76.836  35.124 -7.8581   32.351  -7.8581   32.351  0.0000    0.0000  76.836  35.124 ?       ?      0.000000       35.12360 
1 1 1 -18 1  33 o 133.944 37.855 62.540    28.390  133.945   38.823  -19.5279  41.621  198.553 37.852 79.390  37.461 119.1635       53.25534 
1 1 1 -18 1  35 o 98.611  44.792 21.167    51.569  49.548    70.673  -11.1524  75.417  113.164 51.798 97.416  47.139 15.74792       70.03661 
1 1 1 -18 1  37 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -18 2  2  o 367.917 14.596 367.162   28.790  359.198   40.546  375.261   40.887  361.069 21.036 369.217 20.739 -8.148712      29.54068 
1 1 1 -18 2  4  o 169.925 20.929 80.316    18.663  88.597    22.301  60.961    34.095  177.613 24.037 142.370 41.876 35.24368       48.28400 
1 1 1 -18 2  6  o 248.828 15.092 168.550   20.038  213.706   28.877  126.609   27.830  278.964 19.429 212.596 24.887 66.36848       31.57321 
1 1 1 -18 2  8  o 123.041 34.855 44.417    24.039  44.417    24.039  0.0000    0.0000  123.041 34.855 ?       ?      0.000000       34.85506 
1 1 1 -18 2  10 f 288.121 15.720 226.086   24.191  224.359   28.071  231.069   47.689  286.190 18.393 284.598 31.798 1.591949       36.73455 
1 1 1 -18 2  12 o 266.752 16.167 194.144   23.012  169.238   26.034  283.125   49.208  247.900 19.752 316.478 29.335 -68.57796      35.36501 
1 1 1 -18 2  14 o 242.555 19.021 161.901   24.538  161.977   29.196  161.718   45.280  241.252 22.845 234.248 37.306 7.003448       43.74456 
1 1 1 -18 2  16 o 192.961 20.007 103.272   20.397  93.210    27.232  116.130   30.785  179.857 29.246 201.087 29.426 -21.23032      41.48815 
1 1 1 -18 2  18 o 80.566  32.333 10.736    21.300  11.286    29.585  10.145    30.691  90.742  37.469 91.077  37.930 -0.3356552     53.31653 
1 1 1 -18 2  20 o 215.801 23.136 131.185   26.351  131.205   32.072  131.142   46.224  213.077 28.814 204.163 43.558 8.913742       52.22604 
1 1 1 -18 2  22 o 131.372 34.296 52.874    24.415  52.027    28.471  55.228    47.464  129.275 38.331 133.927 49.680 -4.652267      62.74861 
1 1 1 -18 2  24 o 84.797  32.497 16.908    20.683  22.158    24.658  4.4489    37.988  93.665  35.580 92.160  40.345 1.504417       53.79260 
1 1 1 -18 2  26 f 128.533 41.455 54.505    32.505  0.0000    0.0000  54.505    32.505  ?       ?      128.533 41.455 0.000000       41.45479 
1 1 1 -18 2  28 o 133.122 32.797 55.923    23.255  56.520    31.950  55.252    33.913  129.618 41.026 127.816 42.410 1.801682       59.00621 
1 1 1 -18 2  30 o 202.800 28.154 124.087   29.786  84.550    36.558  202.155   51.371  155.554 42.589 246.627 40.239 -91.07349      58.59184 
1 1 1 -18 2  32 o 122.094 37.009 50.617    26.325  57.903    35.878  42.120    38.746  126.238 43.608 112.440 44.097 13.79801       62.01738 
1 1 1 -18 2  34 o 122.501 41.008 55.937    31.692  47.814    35.174  90.977    73.057  113.630 42.645 132.965 57.079 -19.33522      71.25056 
1 1 1 -18 2  36 o 85.467  40.722 -8.3089   51.537  33.005    64.180  -83.3117  86.475  102.930 47.902 86.329  43.288 16.60121       64.56356 
1 1 1 -18 3  1  o 71.327  27.494 9.9663    14.863  9.9663    14.863  0.0000    0.0000  71.327  27.494 ?       ?      0.000000       27.49381 
1 1 1 -18 3  3  o 203.854 22.596 115.826   24.280  115.826   24.280  0.0000    0.0000  203.854 22.596 ?       ?      0.000000       22.59590 
1 1 1 -18 3  5  o 79.897  30.442 13.339    18.085  32.288    30.006  2.5280    22.664  110.976 39.751 75.554  32.095 35.42164       51.09016 
1 1 1 -18 3  7  o 80.138  31.600 11.379    19.999  31.083    27.344  -11.2815  29.324  108.138 38.029 75.874  34.186 32.26398       51.13599 
1 1 1 -18 3  9  o 60.018  25.367 1.4579    14.044  1.4579    14.044  0.0000    0.0000  60.018  25.367 ?       ?      0.000000       25.36722 
1 1 1 -18 3  11 o 170.989 19.128 80.872    17.235  73.359    19.527  107.364   36.666  161.566 23.209 190.337 37.265 -28.77087      43.90145 
1 1 1 -18 3  13 o 108.929 31.817 34.426    19.744  45.974    23.497  6.6796    36.421  124.763 34.137 95.596  40.649 29.16663       53.08202 
1 1 1 -18 3  15 o 199.749 43.616 122.798   45.400  0.0000    0.0000  122.798   45.400  ?       ?      199.749 43.616 0.000000       43.61603 
1 1 1 -18 3  17 o 80.532  30.880 13.646    18.683  17.870    21.380  0.0009    38.427  88.232  33.221 92.966  40.640 -4.734566      52.49083 
1 1 1 -18 3  19 o 51.908  23.771 -9.2023   14.910  -19.5316  19.566  5.1024    23.025  54.641  25.753 77.439  32.592 -22.79739      41.53878 
1 1 1 -18 3  21 o 89.403  33.788 19.074    22.164  14.682    26.002  30.747    42.388  88.791  35.693 114.316 45.706 -25.52528      57.99158 
1 1 1 -18 3  23 o 136.659 32.810 57.233    23.735  74.510    27.588  8.0170    46.563  155.723 33.998 101.913 44.639 53.81023       56.11113 
1 1 1 -18 3  25 o 113.081 35.460 39.822    23.921  32.860    27.567  61.047    48.133  105.750 38.077 134.583 50.008 -28.83266      62.85428 
1 1 1 -18 3  27 o 206.134 28.029 126.516   30.173  144.424   35.457  79.497    57.453  217.926 31.241 145.270 54.505 72.65588       62.82385 
1 1 1 -18 3  29 o 61.095  28.796 -20.2017  24.464  -28.0414  34.082  -11.8688  35.138  70.498  33.453 78.692  36.204 -8.193687      49.29380 
1 1 1 -18 3  31 f 98.945  37.560 28.937    27.466  32.113    32.604  21.174    50.970  103.796 40.521 105.303 46.397 -1.506691      61.60097 
1 1 1 -18 3  33 o 65.219  30.465 -14.4510  26.344  -24.1197  34.480  -0.8902   40.834  70.546  33.526 86.154  39.412 -15.60756      51.74265 
1 1 1 -18 3  35 o 83.445  40.804 -41.7296  60.708  -41.7296  60.708  0.0000    0.0000  83.445  40.804 ?       ?      0.000000       40.80408 
1 1 1 -18 4  2  o 109.182 35.049 34.021    23.257  38.389    33.419  29.920    32.386  118.429 42.000 109.847 40.980 8.581390       58.67992 
1 1 1 -18 4  4  o 155.965 40.100 73.651    33.717  73.651    33.717  0.0000    0.0000  155.965 40.100 ?       ?      0.000000       40.09980 
1 1 1 -18 4  6  o 323.602 15.064 284.220   26.135  285.391   29.650  280.139   55.340  323.240 17.171 312.265 33.583 10.97519       37.71831 
1 1 1 -18 4  8  o 189.336 18.420 98.751    18.461  108.070   20.908  65.788    39.322  197.686 20.003 147.198 45.350 50.48782       49.56548 
1 1 1 -18 4  10 o 376.942 17.965 387.720   36.305  387.720   36.305  0.0000    0.0000  376.942 17.965 ?       ?      0.000000       17.96458 
1 1 1 -18 4  12 o 181.106 19.331 90.758    18.480  92.768    20.772  83.128    40.470  182.409 21.664 163.956 44.776 18.45341       49.74183 
1 1 1 -18 4  14 o 120.410 29.168 42.393    18.630  39.684    21.255  51.378    38.706  116.177 32.727 132.482 45.315 -16.30500      55.89718 
1 1 1 -18 4  16 o 165.807 31.021 80.403    26.563  62.558    32.651  115.325   45.677  142.910 40.670 191.809 45.165 -48.89890      60.77754 
1 1 1 -18 4  18 o 255.547 16.725 179.298   22.788  168.605   24.957  232.923   55.891  246.931 18.997 278.548 38.451 -31.61766      42.88811 
1 1 1 -18 4  20 o 147.193 32.367 65.083    24.848  65.083    24.848  0.0000    0.0000  147.193 32.367 ?       ?      0.000000       32.36748 
1 1 1 -18 4  22 o 88.503  36.456 12.756    27.918  -13.4754  32.024  95.835    56.992  76.339  34.915 163.896 54.992 -87.55741      65.13961 
1 1 1 -18 4  24 o 117.704 35.468 43.254    24.231  46.126    27.869  34.356    49.052  120.810 38.324 117.253 48.313 3.557190       61.66764 
1 1 1 -18 4  26 o 131.274 39.728 56.605    30.354  106.390   50.716  28.820    37.889  170.020 51.330 106.645 43.009 63.37558       66.96712 
1 1 1 -18 4  28 o 69.730  31.393 -5.6108   24.674  45.999    35.860  -52.0125  34.002  119.025 43.343 62.431  30.530 56.59378       53.01583 
1 1 1 -18 4  30 o 216.626 29.888 143.391   33.788  93.440    40.409  259.462   61.599  161.279 45.017 275.872 43.054 -114.5936      62.29131 
1 1 1 -18 4  32 o 140.321 36.861 66.983    28.090  90.115    37.953  38.963    41.771  156.674 43.591 110.269 44.909 46.40558       62.58620 
1 1 1 -18 4  34 f 97.131  40.440 27.826    34.873  17.821    40.077  59.016    70.764  93.247  41.111 118.610 53.304 -25.36277      67.31580 
1 1 1 -18 4  36 o 116.818 54.176 83.013    80.988  0.0000    0.0000  83.013    80.988  ?       ?      116.818 54.176 0.000000       54.17594 
1 1 1 -18 5  1  o 273.889 17.075 205.534   24.949  242.501   42.324  185.849   30.885  292.895 27.266 258.317 22.527 34.57849       35.36776 
1 1 1 -18 5  3  o 163.512 19.088 74.153    16.419  64.475    18.647  107.534   34.632  150.891 23.843 190.937 35.126 -40.04558      42.45348 
1 1 1 -18 5  5  o 234.870 18.795 151.801   23.468  158.069   28.171  137.586   42.424  238.472 22.293 215.191 38.169 23.28035       44.20264 
1 1 1 -18 5  7  o 329.460 14.770 294.594   26.089  283.103   29.742  332.939   54.330  321.794 17.303 342.695 29.869 -20.90134      34.51892 
1 1 1 -18 5  9  o 258.548 19.471 184.060   26.792  209.247   31.657  120.480   50.297  274.926 21.653 195.842 48.223 79.08401       52.86161 
1 1 1 -18 5  11 o 84.225  30.700 17.089    17.997  17.089    17.997  0.0000    0.0000  84.225  30.700 ?       ?      0.000000       30.69956 
1 1 1 -18 5  13 f 115.352 28.356 38.837    17.413  43.744    19.166  15.642    41.670  122.187 29.576 106.079 44.189 16.10749       53.17316 
1 1 1 -18 5  15 o 190.675 19.320 100.792   19.477  108.276   21.008  54.995    51.969  197.420 20.130 138.864 51.891 58.55685       55.65838 
1 1 1 -18 5  17 o 135.842 25.825 53.327    18.120  47.891    19.366  91.559    51.358  127.561 28.977 166.707 51.905 -39.14568      59.44577 
1 1 1 -18 5  19 o 91.659  32.507 22.374    20.019  12.257    23.877  46.316    36.732  84.463  34.115 124.718 44.054 -40.25520      55.71836 
1 1 1 -18 5  21 o 84.017  29.250 19.046    16.157  19.046    16.157  0.0000    0.0000  84.017  29.250 ?       ?      0.000000       29.25013 
1 1 1 -18 5  23 o 65.904  28.963 -1.8105   19.746  17.865    21.999  -83.3597  44.787  86.997  33.473 67.759  33.504 19.23789       47.36040 
1 1 1 -18 5  25 f 159.911 27.994 76.246    23.126  85.221    32.472  67.008    32.944  162.911 37.893 142.351 40.961 20.56055       55.80044 
1 1 1 -18 5  27 f 124.539 37.744 50.293    27.383  144.189   42.204  -17.9752  35.986  211.670 38.612 77.474  35.993 134.1961       52.78622 
1 1 1 -18 5  29 o 131.633 36.011 56.557    26.150  49.837    35.676  64.359    38.442  121.693 43.369 134.904 45.165 -13.21138      62.61595 
1 1 1 -18 5  31 o 199.078 29.328 122.008   30.364  143.587   40.026  92.753    46.604  208.596 37.152 153.446 49.653 55.15004       62.01359 
1 1 1 -18 5  33 o 118.775 43.253 52.911    35.712  16.297    41.131  165.065   71.987  94.162  41.574 176.828 61.731 -82.66565      74.42487 
1 1 1 -18 5  35 o 119.363 54.710 78.295    79.209  0.0000    0.0000  78.295    79.209  ?       ?      119.363 54.710 0.000000       54.70962 
1 1 1 -18 6  2  o 210.229 16.851 121.389   18.833  114.695   25.674  129.188   27.711  201.762 24.219 214.128 24.584 -12.36542      34.50996 
1 1 1 -18 6  4  o 199.484 17.727 109.561   18.761  105.763   20.893  125.368   42.628  195.187 20.261 203.373 40.519 -8.186264      45.30232 
1 1 1 -18 6  6  o 117.734 32.753 40.824    21.428  45.929    26.006  30.033    37.814  124.377 36.569 113.481 43.823 10.89524       57.07695 
1 1 1 -18 6  8  f 87.663  30.638 19.949    17.735  19.949    17.735  0.0000    0.0000  87.663  30.638 ?       ?      0.000000       30.63827 
1 1 1 -18 6  10 o 263.984 18.494 191.605   26.009  191.605   26.009  0.0000    0.0000  263.984 18.494 ?       ?      0.000000       18.49360 
1 1 1 -18 6  12 o 128.658 23.945 47.316    15.909  36.024    17.957  88.513    34.300  110.897 29.636 171.006 38.357 -60.10883      48.47243 
1 1 1 -18 6  14 o 245.829 17.170 165.975   22.487  180.981   25.817  118.800   45.775  256.101 18.937 194.592 44.803 61.50876       48.64080 
1 1 1 -18 6  16 o 226.477 22.854 144.036   27.370  178.212   34.331  84.427    45.339  250.581 25.929 161.373 48.491 89.20837       54.98857 
1 1 1 -18 6  18 f 153.410 32.829 70.749    26.185  67.435    36.146  74.410    37.986  145.540 43.198 152.273 44.033 -6.733643      61.68461 
1 1 1 -18 6  20 o 159.859 36.872 79.418    30.957  79.418    30.957  0.0000    0.0000  159.859 36.872 ?       ?      0.000000       36.87228 
1 1 1 -18 6  22 o 115.991 27.776 40.253    17.045  36.408    18.553  61.053    43.156  109.666 30.465 136.159 47.782 -26.49311      56.66777 
1 1 1 -18 6  24 o 137.568 25.835 55.833    18.354  54.059    19.665  67.832    51.138  134.211 28.224 140.224 51.652 -6.013657      58.86063 
1 1 1 -18 6  26 o 81.470  36.289 -1.9701   32.028  0.0000    0.0000  -1.9701   32.028  ?       ?      81.470  36.289 0.000000       36.28939 
1 1 1 -18 6  28 o 125.884 39.939 52.674    30.266  80.441    37.727  2.5362    50.695  152.079 43.856 99.085  44.768 52.99375       62.66973 
1 1 1 -18 6  30 o 78.276  34.848 0.0888    29.492  9.4017    35.654  -20.0911  52.483  89.676  39.176 89.885  42.308 -0.2092438     57.65989 
1 1 1 -18 6  32 f 146.430 42.888 79.586    35.831  94.719    41.197  32.580    72.606  156.590 46.023 113.838 52.252 42.75150       69.63000 
1 1 1 -18 6  34 o 198.167 67.951 248.702   87.037  0.0000    0.0000  248.702   87.037  ?       ?      198.167 67.951 0.000000       67.95114 
1 1 1 -18 7  1  f 137.761 24.793 54.555    17.638  46.219    21.301  72.739    31.460  124.482 31.801 153.900 38.285 -29.41805      49.77002 
1 1 1 -18 7  3  o 59.507  24.956 2.3630    13.422  0.6305    16.048  6.3963    24.486  62.635  26.816 80.664  33.761 -18.02914      43.11482 
1 1 1 -18 7  5  o 95.995  31.909 25.573    19.195  40.546    24.600  2.2679    30.690  117.179 35.831 85.520  36.857 31.65914       51.40344 
1 1 1 -18 7  7  o 133.639 22.810 50.731    15.756  60.753    17.740  13.283    34.290  146.334 23.400 97.291  40.269 49.04323       46.57456 
1 1 1 -18 7  9  o 144.113 22.009 58.616    16.465  62.059    18.739  46.951    34.488  147.525 24.556 126.491 42.777 21.03429       49.32375 
1 1 1 -18 7  11 o 172.474 21.923 83.501    19.814  83.501    19.814  0.0000    0.0000  172.474 21.923 ?       ?      0.000000       21.92286 
1 1 1 -18 7  13 o 192.544 22.653 104.247   22.938  112.992   27.125  82.298    42.974  199.129 26.030 160.345 46.970 38.78441       53.70088 
1 1 1 -18 7  15 o 267.965 24.778 202.972   35.194  197.126   49.211  209.092   50.351  256.390 36.860 264.431 36.488 -8.041351      51.86590 
1 1 1 -18 7  17 o 213.647 27.653 131.826   30.932  127.435   41.915  137.078   45.835  202.511 40.024 208.489 42.449 -5.978577      58.34241 
1 1 1 -18 7  19 o 78.735  30.271 13.582    17.982  24.946    21.099  -16.5880  34.377  95.064  33.407 77.912  35.832 17.15267       48.98959 
1 1 1 -18 7  21 o 175.464 26.309 89.653    23.987  89.653    23.987  0.0000    0.0000  175.464 26.309 ?       ?      0.000000       26.30911 
1 1 1 -18 7  23 o 113.673 40.733 38.845    31.510  16.761    41.131  70.219    49.026  101.941 43.268 142.861 50.848 -40.92003      66.76539 
1 1 1 -18 7  25 o 101.293 33.035 30.856    20.609  36.429    22.268  -2.4184   54.408  108.759 34.230 101.446 46.053 7.313232       57.38073 
1 1 1 -18 7  27 o 161.994 33.305 81.968    27.959  81.622    31.452  83.273    61.049  158.655 37.558 147.310 55.979 11.34508       67.41097 
1 1 1 -18 7  29 o 216.180 32.827 146.084   36.850  179.958   48.840  101.310   56.150  231.901 40.771 157.574 54.547 74.32616       68.10023 
1 1 1 -18 7  31 o 237.127 46.357 206.479   56.822  206.479   56.822  0.0000    0.0000  237.127 46.357 ?       ?      0.000000       46.35680 
1 1 1 -18 7  33 o 119.514 50.274 60.694    54.737  76.883    83.529  48.509    72.465  124.239 56.655 114.698 52.482 9.540855       77.22772 
1 1 1 -18 8  2  o 327.730 17.375 295.387   30.420  324.147   53.259  281.461   37.059  335.280 29.944 317.540 21.902 17.74030       37.09914 
1 1 1 -18 8  4  o 202.626 20.004 114.307   21.447  135.597   25.901  67.870    38.253  219.910 22.276 146.657 44.647 73.25342       49.89545 
1 1 1 -18 8  6  o 233.116 23.936 153.063   29.490  209.893   40.917  91.627    42.542  270.696 28.628 169.370 45.765 101.3256       53.98116 
1 1 1 -18 8  8  o 188.843 18.669 98.864    18.653  100.144   21.164  94.407    39.489  189.175 21.233 173.544 42.727 15.63187       47.71215 
1 1 1 -18 8  10 o 279.627 22.725 218.764   33.774  218.764   33.774  0.0000    0.0000  279.627 22.725 ?       ?      0.000000       22.72505 
1 1 1 -18 8  12 o 146.431 32.455 64.097    24.810  64.097    24.810  0.0000    0.0000  146.431 32.455 ?       ?      0.000000       32.45513 
1 1 1 -18 8  14 o 207.634 26.439 123.585   28.764  123.585   28.764  0.0000    0.0000  207.634 26.439 ?       ?      0.000000       26.43949 
1 1 1 -18 8  16 o 90.995  30.894 22.991    17.990  34.367    21.205  -6.2244   33.981  107.565 33.330 83.146  37.182 24.41877       49.93359 
1 1 1 -18 8  18 f 66.637  27.957 3.8653    16.855  -4.3054   19.311  29.992    34.533  63.630  28.270 108.377 41.871 -44.74690      50.52098 
1 1 1 -18 8  20 o 274.695 27.663 218.753   40.186  218.753   40.186  0.0000    0.0000  274.695 27.663 ?       ?      0.000000       27.66333 
1 1 1 -18 8  22 o 79.096  31.851 11.312    20.746  13.847    23.191  1.1574    46.425  84.255  33.765 98.061  43.684 -13.80605      55.21210 
1 1 1 -18 8  24 o 78.963  30.647 13.759    18.567  14.540    19.996  8.8757    50.003  81.327  31.738 103.791 45.831 -22.46426      55.74772 
1 1 1 -18 8  26 o 241.168 28.702 172.877   36.382  174.487   44.176  169.483   64.140  235.989 36.061 211.030 55.828 24.95918       66.46195 
1 1 1 -18 8  28 o 161.358 39.959 87.623    34.387  78.765    39.729  114.080   68.660  148.146 45.574 161.704 59.798 -13.55875      75.18491 
1 1 1 -18 8  30 o 117.586 42.428 48.228    34.249  46.218    40.541  53.237    64.008  116.021 45.215 123.145 53.150 -7.123489      69.78050 
1 1 1 -18 8  32 f 155.680 54.081 113.075   55.219  124.196   77.924  101.857   78.259  146.822 60.733 136.582 58.860 10.24031       84.57486 
1 1 1 -18 9  1  o 197.654 19.539 109.006   20.434  111.779   25.857  104.392   33.349  197.819 24.934 185.960 34.727 11.85909       42.75153 
1 1 1 -18 9  3  o 106.099 26.704 33.088    15.179  59.126    28.302  22.576    17.984  138.447 37.294 90.591  30.889 47.85609       48.42461 
1 1 1 -18 9  5  o 49.481  22.503 -7.0521   13.064  -24.3146  24.056  0.1691    15.559  59.944  28.345 61.071  26.282 -1.127663      38.65428 
1 1 1 -18 9  7  o 139.468 24.175 55.846    17.421  45.690    31.758  60.217    20.836  123.307 41.047 143.436 28.099 -20.12918      49.74355 
1 1 1 -18 9  9  o 92.747  27.318 24.924    14.501  9.6660    16.053  92.579    33.804  72.099  28.349 173.980 37.356 -101.8811      46.89537 
1 1 1 -18 9  11 f 145.255 25.324 60.886    19.004  60.886    19.004  0.0000    0.0000  145.255 25.324 ?       ?      0.000000       25.32388 
1 1 1 -18 9  13 o 117.873 29.368 41.331    18.491  50.838    21.310  12.355    37.203  130.319 30.959 98.033  41.353 32.28595       51.65791 
1 1 1 -18 9  15 o 122.537 30.654 45.045    20.088  51.006    23.238  27.415    39.962  129.566 33.278 110.300 44.280 19.26649       55.39092 
1 1 1 -18 9  17 o 135.257 30.411 54.835    21.517  63.200    24.804  29.398    43.255  144.355 32.795 113.352 45.870 31.00371       56.38740 
1 1 1 -18 9  19 o 162.764 28.600 78.110    24.046  75.665    28.055  84.881    46.681  157.237 34.249 157.994 49.533 -0.7577209     60.22099 
1 1 1 -18 9  21 o 232.072 22.412 152.606   27.538  133.719   31.720  210.406   55.489  213.704 28.388 257.617 41.593 -43.91367      50.35676 
1 1 1 -18 9  23 o 190.187 26.582 105.657   26.364  92.156    29.409  160.903   59.491  173.842 32.756 212.816 52.473 -38.97437      61.85728 
1 1 1 -18 9  25 o 113.006 37.153 39.995    26.048  22.556    29.016  112.378   59.115  96.347  38.040 170.548 55.965 -74.20094      67.66972 
1 1 1 -18 9  27 o 230.061 32.101 163.015   38.515  163.881   46.149  161.026   69.917  223.086 40.057 194.475 60.563 28.61040       72.61220 
1 1 1 -18 9  29 o 153.589 45.923 87.917    40.739  87.917    40.739  0.0000    0.0000  153.589 45.923 ?       ?      0.000000       45.92327 
1 1 1 -18 9  31 o 210.272 49.548 175.939   54.941  239.582   81.633  123.241   74.284  214.322 65.217 150.221 60.349 64.10167       88.85472 
1 1 1 -18 10 2  o 182.963 18.220 93.045    17.634  99.612    25.364  86.900    24.534  186.045 26.151 173.019 27.359 13.02615       37.84649 
1 1 1 -18 10 4  o 214.956 24.455 131.306   27.681  131.306   27.681  0.0000    0.0000  214.956 24.455 ?       ?      0.000000       24.45451 
1 1 1 -18 10 6  o 150.966 24.621 65.466    19.241  92.774    33.492  52.013    23.507  174.077 37.025 131.113 33.360 42.96461       49.83702 
1 1 1 -18 10 8  o 106.201 25.605 33.008    14.409  39.213    20.545  27.002    20.214  114.447 32.153 97.729  32.751 16.71725       45.89622 
1 1 1 -18 10 10 o 187.233 28.742 102.047   27.930  102.047   27.930  0.0000    0.0000  187.233 28.742 ?       ?      0.000000       28.74247 
1 1 1 -18 10 12 o 168.487 21.101 79.951    18.643  75.055    20.777  100.175   42.227  161.745 24.747 176.279 44.636 -14.53387      51.03671 
1 1 1 -18 10 14 o 240.206 18.845 160.161   24.075  181.519   27.492  89.923    49.857  255.139 20.265 163.198 51.195 91.94153       55.05981 
1 1 1 -18 10 16 o 315.462 24.370 281.792   40.898  281.792   40.898  0.0000    0.0000  315.462 24.370 ?       ?      0.000000       24.37037 
1 1 1 -18 10 18 o 144.224 29.394 61.835    21.958  61.835    21.958  0.0000    0.0000  144.224 29.394 ?       ?      0.000000       29.39444 
1 1 1 -18 10 20 o 161.503 32.708 79.091    27.350  79.091    27.350  0.0000    0.0000  161.503 32.708 ?       ?      0.000000       32.70811 
1 1 1 -18 10 22 o 187.574 24.071 101.247   23.648  115.747   27.167  55.903    48.042  199.642 25.999 132.158 49.792 67.48438       56.17065 
1 1 1 -18 10 24 o 135.932 45.569 62.675    39.134  98.805    68.131  44.886    47.807  158.246 59.359 122.539 48.686 35.70686       76.77118 
1 1 1 -18 10 26 o 111.720 42.692 38.024    35.632  100.525   46.704  -49.0285  55.118  165.127 49.124 84.670  40.805 80.45739       63.86092 
1 1 1 -18 10 28 o 95.900  41.455 16.210    39.062  16.210    39.062  0.0000    0.0000  95.900  41.455 ?       ?      0.000000       41.45527 
1 1 1 -18 10 30 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -18 11 1  o 213.849 19.338 127.340   21.931  102.850   27.118  173.646   37.288  188.335 27.683 244.738 28.981 -56.40312      40.07801 
1 1 1 -18 11 3  o 67.207  26.165 8.6888    13.565  5.3189    19.013  12.182    19.358  71.650  29.848 79.115  31.124 -7.464722      43.12296 
1 1 1 -18 11 5  o 237.009 19.175 155.922   24.157  147.635   41.674  160.116   29.646  221.242 36.400 238.182 23.523 -16.93971      43.33939 
1 1 1 -18 11 7  o 250.008 19.355 173.466   25.741  190.587   43.816  164.444   31.808  254.380 32.898 240.669 25.018 13.71191       41.33001 
1 1 1 -18 11 9  o 118.946 42.698 40.632    34.638  40.632    34.638  0.0000    0.0000  118.946 42.698 ?       ?      0.000000       42.69767 
1 1 1 -18 11 11 o 146.445 29.783 63.408    22.587  53.517    26.456  89.999    43.380  132.168 36.248 166.112 46.741 -33.94376      59.14921 
1 1 1 -18 11 13 o 150.728 29.350 67.002    22.865  87.472    27.178  17.421    42.298  172.148 30.567 105.602 44.296 66.54608       53.81866 
1 1 1 -18 11 15 o 66.440  28.651 0.4827    18.569  -19.2901  20.494  91.109    43.876  56.238  26.461 166.229 47.089 -109.9909      54.01434 
1 1 1 -18 11 17 o 153.799 34.450 72.274    27.700  59.892    33.984  96.789    47.817  137.191 42.141 169.107 49.549 -31.91573      65.04613 
1 1 1 -18 11 19 o 132.950 34.349 54.523    24.658  54.523    24.658  0.0000    0.0000  132.950 34.349 ?       ?      0.000000       34.34913 
1 1 1 -18 11 21 o 84.465  31.325 18.023    18.868  13.811    20.911  36.478    43.768  81.732  32.286 116.797 46.527 -35.06519      56.63182 
1 1 1 -18 11 23 o 146.592 44.183 73.069    37.600  39.504    50.456  114.988   56.385  119.994 49.169 174.643 54.388 -54.64852      73.31879 
1 1 1 -18 11 25 o 157.674 42.091 84.914    36.247  98.014    44.971  60.622    61.239  164.169 48.037 132.274 54.181 31.89574       72.40997 
1 1 1 -18 11 27 o 84.790  39.959 -21.9369  47.083  -21.9369  47.083  0.0000    0.0000  84.790  39.959 ?       ?      0.000000       39.95877 
1 1 1 -18 12 2  f 68.545  28.247 5.6909    16.771  2.0851    18.376  23.676    41.039  67.573  28.807 108.564 44.398 -40.99061      52.92482 
1 1 1 -18 12 4  o 126.955 31.792 48.447    21.592  49.698    24.732  44.437    44.275  127.682 35.059 125.713 47.696 1.969048       59.19474 
1 1 1 -18 12 6  o 98.186  29.152 28.180    16.460  35.434    23.225  20.860    23.331  109.578 35.009 92.543  34.731 17.03481       49.31424 
1 1 1 -18 12 8  o 101.747 29.327 30.457    16.874  60.797    24.605  3.5152    23.186  142.055 32.946 76.066  32.391 65.98858       46.20202 
1 1 1 -18 12 10 o 193.169 27.196 107.640   27.386  94.599    31.737  145.657   54.187  177.121 34.662 210.503 48.941 -33.38202      59.97250 
1 1 1 -18 12 12 o 152.048 27.208 67.366    21.365  54.689    23.171  139.317   55.201  134.655 32.473 203.945 50.703 -69.29001      60.21013 
1 1 1 -18 12 14 o 124.438 32.500 46.856    21.919  28.033    25.933  93.934    41.013  101.769 36.889 170.255 44.452 -68.48574      57.76505 
1 1 1 -18 12 16 f 73.385  28.940 10.218    16.776  11.855    18.460  2.4547    40.200  77.366  30.406 94.214  41.367 -16.84854      51.33947 
1 1 1 -18 12 18 o 192.515 34.393 112.825   34.195  112.825   34.195  0.0000    0.0000  192.515 34.393 ?       ?      0.000000       34.39255 
1 1 1 -18 12 20 o 95.403  39.315 17.061    32.486  17.061    32.486  0.0000    0.0000  95.403  39.315 ?       ?      0.000000       39.31456 
1 1 1 -18 12 22 o 157.311 43.608 83.965    38.057  90.437    52.690  76.907    55.026  156.152 52.874 145.325 53.573 10.82771       75.27048 
1 1 1 -18 12 24 o 149.509 53.639 86.857    54.659  0.0000    0.0000  86.857    54.659  ?       ?      149.509 53.639 0.000000       53.63947 
1 1 1 -18 13 1  o 178.347 19.455 89.109    18.301  121.166   26.239  58.741    25.538  206.023 24.217 138.222 34.555 67.80109       42.19595 
1 1 1 -18 13 3  o 269.553 17.019 200.406   24.469  177.648   33.669  225.882   35.623  249.376 25.543 282.595 23.732 -33.21892      34.86647 
1 1 1 -18 13 5  f 271.969 25.769 210.957   37.125  0.0000    0.0000  210.957   37.125  ?       ?      271.969 25.769 0.000000       25.76880 
1 1 1 -18 13 7  o 267.805 17.959 198.262   25.635  196.736   37.844  199.557   34.848  261.652 27.383 265.109 24.806 -3.456940      36.94866 
1 1 1 -18 13 9  o 244.474 51.453 199.770   65.305  199.770   65.305  0.0000    0.0000  244.474 51.453 ?       ?      0.000000       51.45251 
1 1 1 -18 13 11 o 167.976 22.932 80.277    20.112  128.552   30.310  42.300    26.883  210.865 27.462 118.107 37.659 92.75702       46.60844 
1 1 1 -18 13 13 o 117.019 42.899 39.320    35.215  41.250    45.200  36.341    56.171  122.730 47.767 124.639 51.561 -1.908615      70.28635 
1 1 1 -18 13 15 o 144.063 34.876 64.039    26.648  77.094    31.168  28.559    51.381  156.907 37.551 117.011 48.933 39.89601       61.68110 
1 1 1 -18 13 17 o 101.008 39.765 24.403    31.621  24.403    31.621  0.0000    0.0000  101.008 39.765 ?       ?      0.000000       39.76487 
1 1 1 -18 13 19 o 113.236 38.758 39.393    28.315  19.340    35.147  76.473    47.794  98.925  40.843 147.630 50.355 -48.70447      64.83686 
1 1 1 -18 13 21 o 162.640 43.759 90.248    38.993  38.730    57.439  134.286   53.105  121.391 51.304 192.450 50.745 -71.05945      72.16091 
1 1 1 -18 14 2  o 57.805  25.938 -5.6132   16.686  -9.8681   34.560  -4.3199   19.054  81.181  36.795 63.026  28.038 18.15480       46.25979 
1 1 1 -18 14 4  o 126.574 36.943 49.831    26.627  0.0000    0.0000  49.831    26.627  ?       ?      126.574 36.943 0.000000       36.94283 
1 1 1 -18 14 6  o 176.538 28.066 91.217    25.674  85.723    60.078  92.445    28.398  156.670 56.233 176.070 31.227 -19.40010      64.32145 
1 1 1 -18 14 8  o 76.922  31.671 8.2569    21.059  42.103    44.021  -1.7874   23.981  122.571 47.297 72.721  31.939 49.85002       57.07116 
1 1 1 -18 14 10 o 147.171 30.027 64.678    22.890  12.518    42.579  85.880    27.146  101.843 43.643 169.636 30.990 -67.79317      53.52700 
1 1 1 -18 14 12 o 60.465  27.810 -12.2615  20.712  0.0000    0.0000  -12.2615  20.712  ?       ?      60.465  27.810 0.000000       27.81048 
1 1 1 -18 14 14 o 122.227 40.653 46.686    31.153  38.680    35.503  73.485    64.957  115.510 42.943 146.902 57.238 -31.39124      71.55628 
1 1 1 -18 14 16 o 77.046  36.795 -40.6194  42.590  -40.6194  42.590  0.0000    0.0000  77.046  36.795 ?       ?      0.000000       36.79451 
1 1 1 -18 14 18 o 140.869 45.684 67.794    39.436  58.150    48.537  86.524    67.644  132.210 49.992 151.083 58.537 -18.87254      76.97900 
1 1 1 -18 15 3  o 254.322 40.769 205.866   53.711  0.0000    0.0000  205.866   53.711  ?       ?      254.322 40.769 0.000000       40.76907 
1 1 1 -18 15 5  o 179.605 35.636 99.910    33.103  90.422    47.645  108.766   46.027  160.957 49.974 178.758 47.294 -17.80013      68.80475 
1 1 1 -18 15 7  o 133.296 48.083 57.507    43.984  57.507    43.984  0.0000    0.0000  133.296 48.083 ?       ?      0.000000       48.08335 
1 1 1 -18 15 9  o 124.833 43.119 49.118    35.078  9.4273    47.397  97.191    52.162  102.990 45.076 165.154 52.435 -62.16433      69.14643 
1 1 1 -18 15 11 o 237.734 48.523 191.340   59.752  0.0000    0.0000  191.340   59.752  ?       ?      237.734 48.523 0.000000       48.52258 
1 1 1 -17 0  1  f 329.919 21.354 298.762   37.408  298.762   37.408  298.762   37.408  329.919 21.354 329.919 21.354 -0.000000      0.000000 
1 1 1 -17 0  3  o 271.121 22.225 203.306   31.806  203.306   31.806  203.306   31.806  271.121 22.225 271.121 22.225 -0.000000      0.000000 
1 1 1 -17 0  5  o 130.376 34.657 55.162    20.931  55.162    20.931  55.162    20.931  130.376 34.657 130.376 34.657 -0.000000      0.000000 
1 1 1 -17 0  7  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -17 0  9  o 268.285 32.606 205.900   45.053  205.900   45.053  205.900   45.053  268.285 32.606 268.285 32.606 -0.000000      0.000000 
1 1 1 -17 0  11 o 68.615  37.926 18.257    20.379  18.257    20.379  18.257    20.379  68.615  37.926 68.615  37.926 0.000000       0.000000 
1 1 1 -17 0  13 o 158.156 29.861 75.039    22.686  75.039    22.686  75.039    22.686  158.156 29.861 158.156 29.861 0.000000       0.000000 
1 1 1 -17 0  15 o 288.354 31.317 236.299   46.967  236.299   46.967  236.299   46.967  288.354 31.317 288.354 31.317 -0.000000      0.000000 
1 1 1 -17 0  17 o 36.955  25.873 -18.9938  19.182  -18.9938  19.182  -18.9938  19.182  36.955  25.873 36.955  25.873 0.000000       0.000000 
1 1 1 -17 0  19 o 28.144  20.454 -36.7060  17.354  -36.7060  17.354  -36.7060  17.354  28.144  20.454 28.144  20.454 0.000000       0.000000 
1 1 1 -17 0  21 o 237.156 42.407 172.018   48.785  172.018   48.785  172.018   48.785  237.156 42.407 237.156 42.407 -0.000000      0.000000 
1 1 1 -17 0  23 o 129.452 46.433 62.471    29.466  62.471    29.466  62.471    29.466  129.452 46.433 129.452 46.433 0.000000       0.000000 
1 1 1 -17 0  25 o 74.340  42.750 21.478    27.253  21.478    27.253  21.478    27.253  74.340  42.750 74.340  42.750 -0.000000      0.000000 
1 1 1 -17 0  27 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -17 0  29 o 59.123  40.555 -19.5323  41.341  -19.5323  41.341  -19.5323  41.341  59.123  40.555 59.123  40.555 -0.000000      0.000000 
1 1 1 -17 0  31 o 123.662 61.416 73.880    49.235  73.880    49.235  73.880    49.235  123.662 61.416 123.662 61.416 0.000000       0.000000 
1 1 1 -17 0  33 o 176.652 45.158 106.416   36.972  106.416   36.972  106.416   36.972  176.652 45.158 176.652 45.158 0.000000       0.000000 
1 1 1 -17 0  35 o 73.512  45.469 18.256    35.433  18.256    35.433  18.256    35.433  73.512  45.469 73.512  45.469 0.000000       0.000000 
1 1 1 -17 0  37 o 82.850  56.066 3.2073    73.534  3.2073    73.534  3.2073    73.534  82.850  56.066 82.850  56.066 -0.000000      0.000000 
1 1 1 -17 0  39 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -17 1  2  o 275.663 15.129 206.349   22.273  168.973   31.059  245.921   31.958  246.974 23.749 299.629 20.009 -52.65567      31.05499 
1 1 1 -17 1  4  o 298.599 14.558 241.138   23.306  228.008   33.171  253.941   32.754  288.061 21.636 304.557 20.174 -16.49573      29.58220 
1 1 1 -17 1  6  o 120.315 29.759 41.745    19.089  95.526    26.499  -16.2746  27.523  184.044 27.715 70.862  32.394 113.1819       42.63232 
1 1 1 -17 1  8  o 149.883 23.270 62.905    18.092  62.181    21.763  64.526    32.552  147.555 28.543 147.788 40.074 -0.2330017     49.19987 
1 1 1 -17 1  10 o 225.526 19.179 139.402   22.969  139.402   22.969  0.0000    0.0000  225.526 19.179 ?       ?      0.000000       19.17852 
1 1 1 -17 1  12 o 126.876 24.833 45.743    16.287  44.419    20.537  47.989    26.738  123.783 31.011 128.280 36.900 -4.497681      48.20015 
1 1 1 -17 1  14 o 154.792 24.626 67.532    19.752  56.991    22.927  97.886    38.905  140.081 31.315 180.929 41.050 -40.84874      51.63031 
1 1 1 -17 1  16 o 88.096  29.734 20.606    16.662  58.234    26.276  -4.7030   21.549  140.449 35.016 68.245  30.114 72.20364       46.18423 
1 1 1 -17 1  18 o 171.605 19.948 81.693    18.011  82.887    23.780  80.087    27.583  170.627 26.885 165.694 32.211 4.932739       41.95605 
1 1 1 -17 1  20 f 183.300 23.553 94.496    22.610  92.617    36.326  95.683    28.889  174.625 39.699 181.618 30.767 -6.992798      50.22575 
1 1 1 -17 1  22 o 106.162 32.979 32.790    20.747  28.612    24.697  42.807    38.242  102.668 36.138 123.407 44.786 -20.73952      57.54808 
1 1 1 -17 1  24 o 111.691 33.429 37.304    21.579  65.503    39.254  25.093    25.832  143.087 45.493 98.820  36.652 44.26678       58.42080 
1 1 1 -17 1  26 o 181.242 27.454 96.280    25.841  109.792   31.173  66.595    46.204  191.337 31.484 140.943 49.441 50.39401       58.61438 
1 1 1 -17 1  28 o 98.343  37.793 25.827    28.023  25.827    28.023  0.0000    0.0000  98.343  37.793 ?       ?      0.000000       37.79329 
1 1 1 -17 1  30 o 148.653 29.119 67.814    22.377  57.426    30.731  79.539    32.649  130.030 40.096 153.630 39.438 -23.59953      56.24080 
1 1 1 -17 1  32 o 130.152 49.538 63.969    47.859  0.0000    0.0000  63.969    47.859  ?       ?      130.152 49.538 0.000000       49.53846 
1 1 1 -17 1  34 o 117.742 37.189 47.897    26.265  48.637    35.368  46.987    39.218  116.210 42.929 114.705 44.536 1.504982       61.85715 
1 1 1 -17 1  36 o 92.559  42.753 8.1930    49.692  -19.0413  69.389  36.864    71.196  93.322  45.172 109.010 50.638 -15.68774      67.85812 
1 1 1 -17 1  38 o 158.807 54.915 142.655   56.903  115.951   72.738  184.775   91.351  127.554 55.833 141.501 62.238 -13.94697      83.61140 
1 1 1 -17 2  1  o 188.522 18.605 97.679    18.560  101.260   22.531  90.120    32.736  190.941 22.437 175.404 36.017 15.53741       42.43361 
1 1 1 -17 2  3  o 99.293  29.799 27.833    17.130  53.345    22.843  -4.9472   25.893  135.515 31.960 75.221  33.109 60.29394       46.01778 
1 1 1 -17 2  5  o 305.246 16.924 253.540   27.588  249.037   34.116  262.048   46.897  301.226 21.261 306.078 28.921 -4.852295      35.89543 
1 1 1 -17 2  7  o 182.386 18.333 91.292    17.683  93.869    20.814  84.603    33.527  184.187 21.481 169.650 37.826 14.53651       43.49954 
1 1 1 -17 2  9  o 297.276 14.818 239.098   23.617  247.667   27.607  215.718   45.602  301.618 17.143 276.454 31.320 25.16437       35.70463 
1 1 1 -17 2  11 o 230.661 23.895 147.613   29.121  147.613   29.121  0.0000    0.0000  230.661 23.895 ?       ?      0.000000       23.89509 
1 1 1 -17 2  13 o 155.247 20.612 66.949    16.732  72.727    18.617  42.669    38.165  161.519 22.077 126.149 44.868 35.37003       50.00492 
1 1 1 -17 2  15 o 346.124 15.605 325.012   28.958  350.319   40.268  297.908   41.674  356.999 21.133 327.988 23.863 29.01157       31.87539 
1 1 1 -17 2  17 o 177.195 24.794 88.443    22.909  85.014    36.995  90.577    29.177  167.443 41.435 176.710 31.974 -9.266953      52.33714 
1 1 1 -17 2  19 o 75.751  30.639 8.3062    19.289  14.439    29.939  3.9541    25.221  94.197  38.146 80.105  33.933 14.09233       51.05519 
1 1 1 -17 2  21 o 124.943 27.360 45.458    17.819  63.269    22.929  18.293    28.316  146.941 30.117 95.385  37.604 51.55598       48.17819 
1 1 1 -17 2  23 f 232.960 21.976 152.041   27.123  168.310   42.706  141.042   35.113  238.197 34.441 219.975 30.602 18.22192       46.07248 
1 1 1 -17 2  25 o 163.774 29.574 79.481    25.012  74.122    29.681  92.607    46.455  154.502 36.426 165.248 48.955 -10.74608      61.02032 
1 1 1 -17 2  27 o 144.103 33.468 64.641    25.362  78.695    43.701  57.504    31.143  149.991 48.034 132.687 40.261 17.30353       62.67554 
1 1 1 -17 2  29 o 88.398  33.399 20.650    21.653  5.3508    28.664  40.985    33.047  81.664  35.406 113.637 41.573 -31.97314      54.60703 
1 1 1 -17 2  31 o 88.674  35.107 19.439    24.777  -17.1660  37.172  48.704    33.236  77.816  36.295 119.613 41.934 -41.79732      55.45980 
1 1 1 -17 2  33 o 91.735  38.436 18.534    31.791  48.069    53.258  2.1845    39.625  118.480 49.701 87.802  39.633 30.67802       63.56847 
1 1 1 -17 2  35 o 73.392  32.633 1.9606    25.782  -28.4883  32.573  53.030    42.185  66.198  31.764 116.997 45.971 -50.79963      55.87740 
1 1 1 -17 2  37 o 91.761  41.849 16.577    45.591  1.5321    62.743  33.406    66.359  93.059  44.502 103.299 48.285 -10.24014      65.66515 
1 1 1 -17 2  39 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -17 3  2  o 255.474 17.073 178.061   23.250  189.012   28.569  156.587   40.007  262.266 20.481 234.050 32.782 28.21594       38.65367 
1 1 1 -17 3  4  o 296.017 16.915 238.604   26.733  258.770   32.906  199.459   45.846  307.353 20.080 264.742 33.018 42.61136       38.64469 
1 1 1 -17 3  6  o 284.537 14.855 219.678   22.582  210.834   26.001  246.828   45.557  278.076 17.530 296.841 28.996 -18.76495      33.88366 
1 1 1 -17 3  8  o 194.445 17.917 103.589   18.468  106.479   20.828  92.964    39.940  196.638 20.036 176.156 42.728 20.48225       47.19294 
1 1 1 -17 3  10 f 201.973 21.148 112.648   22.560  127.404   27.278  80.707    40.134  214.001 24.200 163.617 44.552 50.38400       50.70000 
1 1 1 -17 3  12 o 290.931 18.235 231.225   28.299  226.029   34.629  241.671   49.098  286.143 22.761 292.017 31.878 -5.873779      39.17014 
1 1 1 -17 3  14 o 175.820 18.799 85.201    17.446  88.429    19.310  70.864    40.696  178.696 20.528 153.074 45.929 25.62268       50.30759 
1 1 1 -17 3  16 o 167.179 24.415 78.723    21.238  79.542    24.910  76.542    40.637  166.520 28.954 158.094 45.494 8.426407       53.92624 
1 1 1 -17 3  18 o 146.096 27.823 61.496    20.997  42.033    35.129  72.314    26.190  122.819 43.109 157.149 32.168 -34.32999      53.78858 
1 1 1 -17 3  20 o 111.247 28.861 36.209    17.361  35.712    21.965  37.036    28.337  110.683 33.860 114.278 38.775 -3.595261      51.47819 
1 1 1 -17 3  22 o 141.322 29.662 58.784    21.758  70.242    25.823  30.747    40.396  153.669 32.366 114.398 44.974 39.27035       55.40971 
1 1 1 -17 3  24 o 142.576 32.419 61.388    24.220  43.129    27.832  118.373   49.168  119.140 38.352 188.593 48.389 -69.45331      61.74435 
1 1 1 -17 3  26 o 232.941 20.146 152.612   24.913  163.026   33.163  139.124   37.742  236.852 26.575 213.452 34.130 23.40012       43.25612 
1 1 1 -17 3  28 o 104.511 33.194 33.725    20.902  8.8486    27.962  65.233    31.469  83.833  35.632 140.019 39.954 -56.18580      53.53463 
1 1 1 -17 3  30 o 109.735 37.331 38.595    26.267  -14.7907  39.536  80.776    35.144  81.591  37.844 152.996 41.702 -71.40546      56.31376 
1 1 1 -17 3  32 o 103.056 37.355 33.413    26.593  45.761    32.827  9.8385    45.358  116.006 41.574 96.445  43.056 19.56055       59.85189 
1 1 1 -17 3  34 o 82.280  34.938 12.067    26.838  23.943    35.512  -3.7490   40.982  96.553  40.548 85.004  39.105 11.54868       56.33273 
1 1 1 -17 3  36 o 103.045 45.279 34.196    48.246  -28.6565  63.875  117.690   73.620  88.088  42.802 139.271 58.430 -51.18303      72.42958 
1 1 1 -17 3  38 o 95.282  46.663 9.1340    80.283  0.0000    0.0000  9.1340    80.283  ?       ?      95.282  46.663 0.000000       46.66253 
1 1 1 -17 4  1  o 280.260 29.564 221.655   43.751  221.655   43.751  0.0000    0.0000  280.260 29.564 ?       ?      0.000000       29.56379 
1 1 1 -17 4  3  f 299.503 17.680 244.780   28.263  250.199   34.401  233.528   49.576  301.583 21.415 286.427 32.880 15.15598       39.23888 
1 1 1 -17 4  5  o 302.005 17.325 248.601   27.935  264.386   33.577  213.107   50.349  310.543 20.279 272.495 35.293 38.04813       40.70373 
1 1 1 -17 4  7  o 319.635 17.454 278.410   29.798  269.201   35.738  299.418   53.975  312.999 21.425 325.829 31.283 -12.82947      37.91634 
1 1 1 -17 4  9  o 176.219 19.016 85.537    17.681  95.185    19.836  48.238    39.002  185.679 20.255 131.671 45.468 54.00716       49.77504 
1 1 1 -17 4  11 o 498.803 17.905 676.952   47.882  676.952   47.882  0.0000    0.0000  498.803 17.905 ?       ?      0.000000       17.90508 
1 1 1 -17 4  13 o 250.070 16.211 170.476   21.617  186.106   24.359  112.555   46.892  260.972 17.512 191.713 46.172 69.25883       49.38170 
1 1 1 -17 4  15 o 206.493 28.285 120.973   30.490  102.147   40.626  145.254   46.138  183.696 42.146 220.841 40.459 -37.14479      58.42239 
1 1 1 -17 4  17 o 138.870 32.388 56.737    23.671  41.921    28.320  91.080    43.117  120.335 38.682 171.255 45.989 -50.91988      60.09393 
1 1 1 -17 4  19 o 152.026 29.000 67.046    22.774  37.698    33.960  91.030    30.700  117.670 42.274 175.691 33.820 -58.02182      54.13737 
1 1 1 -17 4  21 o 69.628  27.800 7.8889    15.657  7.6569    19.226  8.3457    26.978  74.610  30.436 85.271  35.541 -10.66150      46.79261 
1 1 1 -17 4  23 f 130.940 32.339 51.689    22.568  68.178    28.246  22.579    37.530  149.188 35.776 105.392 42.699 43.79629       55.70577 
1 1 1 -17 4  25 o 120.681 31.727 44.456    20.799  49.142    28.009  38.694    31.055  125.000 38.235 113.940 40.479 11.05998       55.68165 
1 1 1 -17 4  27 o 69.668  31.618 -8.4703   25.623  42.810    42.951  -36.8035  31.926  119.251 46.521 65.127  31.303 54.12412       56.07216 
1 1 1 -17 4  29 o 179.494 32.104 99.918    29.760  56.193    45.943  131.529   39.064  127.683 48.551 201.815 37.484 -74.13203      61.33738 
1 1 1 -17 4  31 o 305.221 20.244 265.515   32.938  237.630   44.555  299.120   48.913  278.752 30.301 314.068 29.391 -35.31589      42.21338 
1 1 1 -17 4  33 o 202.803 27.716 125.698   29.346  125.100   40.308  126.373   42.808  189.342 40.903 187.339 43.462 2.002777       59.68244 
1 1 1 -17 4  35 o 68.551  33.198 -36.4549  37.598  -32.3888  45.193  -45.5956  67.760  76.614  36.929 87.979  43.040 -11.36452      56.71128 
1 1 1 -17 4  37 o 86.445  40.934 -1.0621   50.508  -35.4388  66.361  46.271    77.869  84.984  41.782 106.733 50.624 -21.74905      65.63926 
1 1 1 -17 5  2  o 214.705 23.951 128.528   27.100  118.295   38.239  138.853   38.412  200.780 36.883 219.349 33.745 -18.56953      49.99046 
1 1 1 -17 5  4  o 319.249 21.266 280.296   36.190  280.296   36.190  0.0000    0.0000  319.249 21.266 ?       ?      0.000000       21.26592 
1 1 1 -17 5  6  o 433.848 17.459 511.814   40.610  533.900   49.512  466.415   70.986  441.755 20.905 405.762 32.915 35.99347       38.99247 
1 1 1 -17 5  8  o 279.686 15.802 212.811   23.598  224.622   26.571  168.709   51.346  286.939 17.354 238.631 41.649 48.30727       45.11958 
1 1 1 -17 5  10 o 367.821 15.282 366.742   30.136  357.578   34.056  399.814   64.698  362.565 17.520 375.629 32.445 -13.06387      36.87272 
1 1 1 -17 5  12 o 185.351 21.682 95.431    21.139  95.431    21.139  0.0000    0.0000  185.351 21.682 ?       ?      0.000000       21.68242 
1 1 1 -17 5  14 o 182.251 23.827 93.088    22.724  95.183    25.924  86.136    47.221  183.151 27.229 166.484 49.366 16.66734       56.37724 
1 1 1 -17 5  16 o 276.537 32.480 219.515   47.237  219.515   47.237  0.0000    0.0000  276.537 32.480 ?       ?      0.000000       32.47955 
1 1 1 -17 5  18 o 99.221  25.999 28.479    13.997  34.072    15.665  6.3281    31.174  108.271 27.061 89.206  37.754 19.06567       46.45089 
1 1 1 -17 5  20 o 124.268 24.946 44.544    16.042  42.425    17.833  53.532    36.729  120.317 28.146 133.037 44.136 -12.71992      52.34689 
1 1 1 -17 5  22 o 49.033  23.551 -24.3685  18.004  -24.3685  18.004  0.0000    0.0000  49.033  23.551 ?       ?      0.000000       23.55101 
1 1 1 -17 5  24 o 108.758 30.073 35.574    18.123  61.757    24.866  5.9047    26.469  142.023 33.244 81.454  34.645 60.56875       48.01516 
1 1 1 -17 5  26 o 84.127  32.744 16.154    21.240  5.5125    28.540  29.365    31.799  82.685  35.589 104.389 40.222 -21.70444      53.70634 
1 1 1 -17 5  28 o 158.330 34.079 79.077    28.072  31.905    46.004  107.063   35.434  111.918 46.509 182.201 37.524 -70.28266      59.75908 
1 1 1 -17 5  30 o 103.146 35.643 32.986    23.970  30.206    32.461  36.320    35.546  103.321 40.405 109.626 42.445 -6.304695      58.60192 
1 1 1 -17 5  32 o 79.846  36.043 -2.4072   32.773  -2.4072   32.773  0.0000    0.0000  79.846  36.043 ?       ?      0.000000       36.04254 
1 1 1 -17 5  34 f 115.817 41.789 48.947    33.225  51.531    37.950  40.462    68.756  117.322 44.243 114.188 51.811 3.134529       68.13092 
1 1 1 -17 5  36 o 118.703 52.505 71.140    65.899  71.140    65.899  0.0000    0.0000  118.703 52.505 ?       ?      0.000000       52.50512 
1 1 1 -17 6  1  o 360.440 20.988 357.560   40.382  357.560   40.382  0.0000    0.0000  360.440 20.988 ?       ?      0.000000       20.98767 
1 1 1 -17 6  3  o 359.499 14.707 350.276   28.345  342.647   39.019  358.802   41.247  353.108 20.701 361.060 21.403 -7.952301      29.77662 
1 1 1 -17 6  5  o 202.386 24.808 114.678   26.354  114.678   26.354  0.0000    0.0000  202.386 24.808 ?       ?      0.000000       24.80751 
1 1 1 -17 6  7  o 227.085 19.760 141.896   23.817  146.262   27.525  128.887   47.518  229.667 22.649 206.293 44.287 23.37389       49.74260 
1 1 1 -17 6  9  o 354.126 17.603 341.355   33.420  341.355   33.420  0.0000    0.0000  354.126 17.603 ?       ?      0.000000       17.60287 
1 1 1 -17 6  11 o 275.416 22.627 209.935   33.115  219.732   45.436  198.834   48.365  278.100 31.001 262.249 35.296 15.85162       46.97736 
1 1 1 -17 6  13 o 200.683 21.100 111.640   22.362  139.890   26.764  46.309    40.700  224.385 22.553 129.617 46.309 94.76770       51.50913 
1 1 1 -17 6  15 o 75.888  33.864 -7.8798   28.025  0.0000    0.0000  -7.8798   28.025  ?       ?      75.888  33.864 0.000000       33.86364 
1 1 1 -17 6  17 o 242.329 20.479 162.543   26.357  202.503   33.462  97.224    42.782  269.422 23.398 176.468 45.061 92.95404       50.77368 
1 1 1 -17 6  19 f 31.994  16.219 -50.2276  14.154  -59.5075  16.283  -21.5479  28.626  33.862  17.190 68.725  31.986 -34.86317      36.31255 
1 1 1 -17 6  21 o 156.743 28.858 71.982    23.357  73.194    28.575  69.542    40.545  155.215 35.155 147.277 46.161 7.937485       58.02338 
1 1 1 -17 6  23 o 110.939 27.118 36.538    15.993  28.688    17.695  71.552    37.372  98.629  30.428 147.990 43.925 -49.36183      53.43452 
1 1 1 -17 6  25 o 223.385 20.607 140.887   24.401  169.145   32.021  101.750   37.684  242.134 25.028 177.126 40.556 65.00812       47.65722 
1 1 1 -17 6  27 o 111.767 41.047 38.060    32.260  0.0000    0.0000  38.060    32.260  ?       ?      111.767 41.047 0.000000       41.04666 
1 1 1 -17 6  29 o 71.999  32.207 -3.6818   25.517  1.5137    38.791  -7.6450   33.880  89.214  39.823 79.642  36.226 9.571815       53.83521 
1 1 1 -17 6  31 o 190.606 35.842 117.702   35.283  135.079   45.746  92.188    55.433  195.267 44.666 149.859 53.991 45.40858       70.07220 
1 1 1 -17 6  33 o 137.500 42.105 69.415    33.956  93.115    39.216  -1.5805   67.874  157.387 44.495 101.858 47.994 55.52908       65.44675 
1 1 1 -17 6  35 o 119.017 47.883 60.528    46.840  71.177    62.104  46.478    71.336  122.228 52.553 112.198 51.607 10.03012       73.65513 
1 1 1 -17 7  2  o 177.089 24.669 88.360    22.785  88.360    22.785  0.0000    0.0000  177.089 24.669 ?       ?      0.000000       24.66876 
1 1 1 -17 7  4  o 160.188 21.289 71.574    17.831  74.470    28.513  69.714    22.850  159.041 34.437 155.821 28.398 3.220627       44.63601 
1 1 1 -17 7  6  o 224.156 19.354 138.275   23.031  154.784   28.660  108.181   38.695  236.061 22.935 190.522 39.190 45.53949       45.40818 
1 1 1 -17 7  8  o 200.692 23.433 112.416   24.739  112.416   24.739  0.0000    0.0000  200.692 23.433 ?       ?      0.000000       23.43321 
1 1 1 -17 7  10 o 148.528 29.780 63.854    22.888  96.861    30.801  23.155    34.202  182.669 32.649 105.860 41.454 76.80857       52.76751 
1 1 1 -17 7  12 o 140.798 24.382 56.291    17.739  56.291    17.739  0.0000    0.0000  140.798 24.382 ?       ?      0.000000       24.38247 
1 1 1 -17 7  14 o 204.942 19.703 116.117   21.382  118.625   25.267  109.793   40.128  205.947 23.293 190.529 40.530 15.41779       46.74649 
1 1 1 -17 7  16 o 332.680 15.300 301.065   27.288  308.880   31.539  277.792   54.426  335.758 17.582 309.871 33.282 25.88733       37.64058 
1 1 1 -17 7  18 f 115.975 31.252 39.837    19.870  26.153    24.949  63.572    32.857  100.113 36.199 143.494 40.785 -43.38143      54.53185 
1 1 1 -17 7  20 o 78.830  29.470 14.455    16.766  12.568    18.907  21.402    36.279  79.046  30.858 103.755 42.001 -24.70878      52.11760 
1 1 1 -17 7  22 o 87.226  36.698 9.2626    29.174  9.2626    29.174  0.0000    0.0000  87.226  36.698 ?       ?      0.000000       36.69795 
1 1 1 -17 7  24 o 55.193  24.850 -5.7544   15.464  -2.3252   16.516  -30.1366  44.039  60.002  26.425 82.275  38.735 -22.27345      46.88998 
1 1 1 -17 7  26 o 131.124 34.674 54.288    24.748  53.235    28.251  57.759    51.313  128.410 38.208 132.073 51.036 -3.662903      63.75367 
1 1 1 -17 7  28 o 217.233 23.342 136.263   26.759  162.229   36.720  106.859   39.076  231.892 30.257 178.798 41.554 53.09416       51.40297 
1 1 1 -17 7  30 o 143.912 36.896 68.307    28.601  147.927   45.683  16.979    36.679  208.429 42.326 95.811  40.768 112.6179       58.76687 
1 1 1 -17 7  32 f 255.377 33.071 207.765   44.216  201.259   53.083  222.508   79.911  239.142 42.983 214.618 64.351 24.52383       77.38568 
1 1 1 -17 7  34 o 89.336  40.467 8.0238    41.730  -54.3656  50.699  139.093   73.484  75.188  36.875 155.560 60.805 -80.37190      71.11265 
1 1 1 -17 7  36 o 86.133  42.874 -56.4379  78.189  0.0000    0.0000  -56.4379  78.189  ?       ?      86.133  42.874 0.000000       42.87399 
1 1 1 -17 8  1  o 144.603 27.958 60.457    20.891  60.894    29.498  60.016    29.590  142.034 37.995 140.985 38.199 1.048737       53.87704 
1 1 1 -17 8  3  o 93.981  27.448 25.252    14.695  36.164    18.209  4.8778    24.882  111.350 29.880 80.444  33.870 30.90592       45.16648 
1 1 1 -17 8  5  o 113.902 26.255 37.477    15.705  58.308    18.939  -8.3732   28.098  142.905 25.663 75.706  33.836 67.19915       42.46697 
1 1 1 -17 8  7  o 248.747 23.023 172.085   30.355  248.313   42.488  92.604    43.384  297.317 26.947 172.762 46.016 124.5550       53.32540 
1 1 1 -17 8  9  o 156.963 23.388 69.414    19.081  69.414    19.081  0.0000    0.0000  156.963 23.388 ?       ?      0.000000       23.38815 
1 1 1 -17 8  11 o 184.702 21.154 94.941    20.570  107.215   24.857  68.280    36.636  195.343 24.257 149.400 43.256 45.94250       49.59283 
1 1 1 -17 8  13 o 57.681  23.986 2.6651    12.246  -10.3547  13.899  47.851    25.893  49.014  22.629 126.730 36.270 -77.71599      42.75012 
1 1 1 -17 8  15 o 200.608 21.915 112.460   23.187  118.520   28.047  99.373    41.215  204.276 26.214 178.626 43.453 25.65088       50.74732 
1 1 1 -17 8  17 o 176.536 31.555 91.689    28.770  65.285    39.496  121.535   41.992  144.179 45.611 198.555 40.811 -54.37613      61.20388 
1 1 1 -17 8  19 o 139.424 28.236 57.176    20.383  55.661    23.514  61.753    40.878  135.815 32.688 139.511 46.575 -3.696167      56.90071 
1 1 1 -17 8  21 o 159.225 31.722 76.230    26.129  76.230    26.129  0.0000    0.0000  159.225 31.722 ?       ?      0.000000       31.72247 
1 1 1 -17 8  23 o 29.154  14.786 -42.2729  11.855  -44.9317  12.446  -16.2312  38.951  29.705  15.075 82.715  38.079 -53.01004      40.95414 
1 1 1 -17 8  25 o 85.797  38.784 -6.7484   38.104  -33.0144  58.175  12.987    50.427  93.671  44.227 105.945 46.428 -12.27424      64.12210 
1 1 1 -17 8  27 o 159.184 26.011 74.782    21.432  74.809    23.440  74.644    52.928  157.661 28.792 143.425 52.591 14.23592       59.95632 
1 1 1 -17 8  29 o 73.270  30.022 8.9995    18.810  13.952    20.075  -26.6399  53.853  79.768  31.594 90.061  42.532 -10.29324      52.98258 
1 1 1 -17 8  31 o 98.014  41.547 21.421    37.847  7.1305    46.237  50.439    65.885  95.464  42.977 122.846 53.470 -27.38229      68.60126 
1 1 1 -17 8  33 o 240.377 37.024 196.293   46.183  208.738   56.261  170.586   80.862  234.553 46.383 170.354 64.499 64.19908       79.44538 
1 1 1 -17 8  35 o 111.016 51.605 53.365    74.139  0.0000    0.0000  53.365    74.139  ?       ?      111.016 51.605 0.000000       51.60460 
1 1 1 -17 9  2  o 95.342  30.680 25.587    17.812  -3.3709   27.577  46.314    23.331  77.731  34.192 124.652 33.979 -46.92072      48.20500 
1 1 1 -17 9  4  o 172.102 17.119 81.608    15.586  77.533    22.696  85.244    21.441  164.633 26.623 173.894 23.608 -9.260864      35.58247 
1 1 1 -17 9  6  o 313.570 17.701 269.450   29.637  376.661   51.735  217.082   36.157  366.180 26.532 278.549 24.459 87.63168       36.08613 
1 1 1 -17 9  8  o 231.559 19.312 147.970   23.756  178.283   28.056  71.164    44.657  253.756 20.805 151.377 48.565 102.3793       52.83404 
1 1 1 -17 9  10 o 119.646 32.479 42.301    21.369  46.356    28.862  37.382    31.789  124.949 38.912 116.241 40.991 8.708893       56.51894 
1 1 1 -17 9  12 o 94.929  33.005 24.089    20.569  24.089    20.569  0.0000    0.0000  94.929  33.005 ?       ?      0.000000       33.00521 
1 1 1 -17 9  14 o 143.984 33.373 62.008    25.259  82.797    34.516  38.040    37.063  163.965 39.690 118.663 43.923 45.30267       59.19962 
1 1 1 -17 9  16 o 209.184 21.931 122.781   24.230  144.895   28.458  64.494    46.201  226.561 23.784 143.090 49.482 83.47070       54.90109 
1 1 1 -17 9  18 o 60.163  25.715 0.9475    14.713  0.0252    16.147  5.4570    35.706  61.896  26.705 92.008  39.704 -30.11285      47.84938 
1 1 1 -17 9  20 o 107.496 32.300 34.652    20.117  55.724    22.568  -46.8445  44.382  135.739 31.602 77.750  37.247 57.98947       48.84660 
1 1 1 -17 9  22 o 68.370  30.187 -2.7571   21.685  11.219    26.006  -34.6532  39.287  85.021  35.120 75.800  35.954 9.221039       50.26031 
1 1 1 -17 9  24 o 67.791  29.840 -1.9293   21.033  3.6359    23.996  -20.3856  43.698  76.231  32.718 85.678  39.756 -9.447212      51.48806 
1 1 1 -17 9  26 o 98.705  33.820 28.702    21.560  27.955    23.917  31.938    49.808  98.800  35.478 115.276 48.190 -16.47595      59.84139 
1 1 1 -17 9  28 o 76.407  29.968 12.783    17.897  27.085    19.365  -70.9694  46.862  95.189  32.055 71.662  35.208 23.52766       47.61426 
1 1 1 -17 9  30 o 139.283 42.630 69.018    34.812  69.018    34.812  0.0000    0.0000  139.283 42.630 ?       ?      0.000000       42.62986 
1 1 1 -17 9  32 o 81.697  36.204 5.4055    31.476  24.464    36.742  -47.1567  61.018  97.318  41.076 85.422  41.582 11.89627       58.44921 
1 1 1 -17 10 1  o 203.129 19.348 114.658   20.816  98.572    34.774  123.640   25.985  179.984 37.264 209.277 23.570 -29.29320      44.09290 
1 1 1 -17 10 3  o 106.228 31.846 33.072    19.572  0.0000    0.0000  33.072    19.572  ?       ?      106.228 31.846 0.000000       31.84636 
1 1 1 -17 10 5  o 198.912 24.474 111.924   25.549  0.0000    0.0000  111.924   25.549  ?       ?      198.912 24.474 0.000000       24.47394 
1 1 1 -17 10 7  o 67.337  28.111 3.9024    16.915  0.0000    0.0000  3.9024    16.915  ?       ?      67.337  28.111 0.000000       28.11095 
1 1 1 -17 10 9  o 133.393 24.590 51.092    16.938  19.397    27.642  70.149    21.434  95.520  37.305 156.103 26.562 -60.58244      45.79495 
1 1 1 -17 10 11 o 162.327 26.486 75.797    22.255  75.797    22.255  0.0000    0.0000  162.327 26.486 ?       ?      0.000000       26.48572 
1 1 1 -17 10 13 o 239.796 21.352 160.547   27.163  160.547   27.163  0.0000    0.0000  239.796 21.352 ?       ?      0.000000       21.35168 
1 1 1 -17 10 15 o 121.699 27.709 43.618    17.674  56.093    20.086  0.8183    37.203  138.239 28.059 91.074  39.896 47.16545       48.77496 
1 1 1 -17 10 17 o 192.833 22.593 105.194   22.915  115.307   26.922  78.606    43.655  200.555 25.624 154.442 47.816 46.11259       54.24945 
1 1 1 -17 10 19 o 166.141 26.944 80.401    23.178  58.135    27.134  140.495   44.577  136.846 36.364 211.358 40.816 -74.51216      54.66547 
1 1 1 -17 10 21 o 89.483  31.211 21.983    18.400  15.440    20.447  49.835    42.187  83.337  32.213 127.524 46.923 -44.18672      56.91629 
1 1 1 -17 10 23 o 85.899  32.634 17.744    20.744  30.881    23.651  -26.0649  43.191  102.870 35.413 83.190  38.908 19.68006       52.61052 
1 1 1 -17 10 25 o 146.078 46.353 73.168    40.767  85.357    66.691  65.896    51.511  151.232 58.255 138.615 51.688 12.61734       77.88005 
1 1 1 -17 10 27 o 173.371 27.268 89.554    24.509  86.194    27.741  101.505   52.316  166.885 32.172 163.464 52.578 3.421234       61.63990 
1 1 1 -17 10 29 o 61.141  29.572 -36.7320  29.593  -36.7320  29.593  0.0000    0.0000  61.141  29.572 ?       ?      0.000000       29.57166 
1 1 1 -17 10 31 o 71.637  33.079 -10.0866  29.715  -14.2662  35.339  0.0000    54.898  75.646  35.318 95.896  44.520 -20.24963      56.82747 
1 1 1 -17 11 2  o 192.528 19.565 103.293   19.915  95.657    23.798  121.133   36.376  183.087 24.889 200.994 35.030 -17.90752      42.97184 
1 1 1 -17 11 4  o 204.696 21.337 117.334   23.072  121.175   38.826  115.237   28.687  199.703 37.644 200.126 27.461 -0.4231567     46.59584 
1 1 1 -17 11 6  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -17 11 8  o 250.362 16.639 172.228   22.206  176.003   33.054  169.123   29.980  249.337 25.066 245.368 23.060 3.969666       34.06001 
1 1 1 -17 11 10 o 75.810  28.139 13.377    15.232  21.850    21.178  4.2968    21.923  92.131  33.345 75.114  31.718 17.01662       46.02129 
1 1 1 -17 11 12 o 271.259 17.312 202.616   25.045  209.509   28.844  181.496   50.487  274.787 19.710 243.344 40.095 31.44283       44.67725 
1 1 1 -17 11 14 o 105.671 30.080 33.046    17.859  29.895    19.976  45.590    39.855  101.482 32.474 125.133 45.674 -23.65071      56.04137 
1 1 1 -17 11 16 o 37.642  18.730 -36.1193  14.865  -60.4601  16.394  76.390    35.246  33.767  17.152 155.133 41.547 -121.3662      44.94814 
1 1 1 -17 11 18 o 198.829 29.295 115.660   30.292  128.396   37.001  89.774    52.752  206.422 34.662 161.837 52.856 44.58524       63.20765 
1 1 1 -17 11 20 o 184.272 26.083 98.163    25.048  98.163    25.048  0.0000    0.0000  184.272 26.083 ?       ?      0.000000       26.08253 
1 1 1 -17 11 22 o 68.745  28.530 5.5143    17.278  2.5936    18.822  21.159    43.561  68.318  29.140 107.128 44.945 -38.80975      53.56451 
1 1 1 -17 11 24 o 173.986 31.324 91.654    28.144  64.314    33.088  163.183   53.520  139.943 41.278 219.578 46.888 -79.63481      62.46922 
1 1 1 -17 11 26 o 99.154  39.298 24.827    31.076  11.856    39.379  46.239    50.595  96.022  41.565 122.929 49.657 -26.90730      64.75715 
1 1 1 -17 11 28 o 109.728 46.196 31.619    46.280  31.619    46.280  0.0000    0.0000  109.728 46.196 ?       ?      0.000000       46.19570 
1 1 1 -17 11 30 o 81.116  37.279 -6.2711   37.116  -17.3742  51.800  5.4448    53.210  88.316  41.709 97.396  44.714 -9.079613      61.14781 
1 1 1 -17 12 1  o 239.707 18.344 158.977   23.396  144.208   29.554  183.768   38.292  225.318 24.881 252.351 28.820 -27.03296      38.07376 
1 1 1 -17 12 3  o 242.279 16.769 161.499   21.648  150.225   29.232  175.193   32.216  230.554 24.001 248.903 24.458 -18.34915      34.26695 
1 1 1 -17 12 5  o 198.733 23.944 111.880   24.998  162.546   48.154  93.189    29.248  229.939 40.543 177.518 31.904 52.42180       51.59093 
1 1 1 -17 12 7  o 374.813 18.602 386.525   37.381  348.261   44.595  476.931   68.547  352.246 23.753 405.515 31.784 -53.26855      39.67864 
1 1 1 -17 12 9  o 267.474 20.798 199.189   29.591  161.419   35.114  291.729   54.963  236.935 28.196 315.753 32.953 -78.81767      43.36981 
1 1 1 -17 12 11 o 226.538 21.082 143.377   25.311  150.803   30.315  126.286   45.990  230.574 24.919 199.627 44.143 30.94658       50.69064 
1 1 1 -17 12 13 o 272.738 20.003 206.649   29.045  212.287   35.186  194.591   51.459  274.277 24.175 252.675 39.261 21.60146       46.10715 
1 1 1 -17 12 15 o 245.119 20.209 167.383   26.322  146.687   31.252  217.892   48.824  226.463 26.226 270.924 34.388 -44.46144      43.24719 
1 1 1 -17 12 17 o 51.628  24.079 -13.7173  16.358  -13.7173  16.358  0.0000    0.0000  51.628  24.079 ?       ?      0.000000       24.07908 
1 1 1 -17 12 19 o 114.071 32.280 39.321    20.629  39.321    20.629  0.0000    0.0000  114.071 32.280 ?       ?      0.000000       32.28001 
1 1 1 -17 12 21 o 216.550 24.042 134.101   27.441  141.164   32.575  116.836   50.929  219.686 28.316 183.669 50.260 36.01703       57.68756 
1 1 1 -17 12 23 o 245.767 32.538 182.424   41.819  126.560   61.438  230.647   57.082  182.408 56.767 268.514 40.948 -86.10606      69.99454 
1 1 1 -17 12 25 o 143.287 39.167 67.787    30.948  49.010    38.819  100.535   51.266  122.543 45.023 163.665 51.985 -41.12226      68.77195 
1 1 1 -17 12 27 o 77.445  37.330 -43.8185  46.181  -43.8185  46.181  0.0000    0.0000  77.445  37.330 ?       ?      0.000000       37.32979 
1 1 1 -17 13 2  o 172.586 29.244 87.039    26.093  110.810   34.901  56.914    39.290  191.969 35.208 135.422 45.659 56.54668       57.65702 
1 1 1 -17 13 4  o 203.871 22.482 116.942   24.164  123.275   29.285  103.431   42.775  207.308 26.989 180.063 44.552 27.24480       52.08933 
1 1 1 -17 13 6  o 161.120 29.596 76.081    24.623  81.448    28.599  60.701    48.414  165.034 33.467 140.456 50.472 24.57845       60.56010 
1 1 1 -17 13 8  o 230.981 18.041 147.356   22.163  143.923   31.436  150.748   31.252  224.452 26.644 230.222 25.761 -5.770401      37.06166 
1 1 1 -17 13 10 o 132.941 25.086 51.054    17.224  57.751    23.990  43.928    24.745  138.701 32.779 120.712 35.723 17.98978       48.48293 
1 1 1 -17 13 12 o 126.614 26.090 46.697    17.121  61.540    24.119  31.622    24.308  143.385 32.167 105.437 35.912 37.94798       48.21173 
1 1 1 -17 13 14 o 97.003  41.199 10.441    37.332  10.441    37.332  0.0000    0.0000  97.003  41.199 ?       ?      0.000000       41.19860 
1 1 1 -17 13 16 o 100.147 31.955 29.208    19.354  30.158    20.521  21.557    58.236  101.782 32.949 118.531 50.924 -16.74849      60.65432 
1 1 1 -17 13 18 o 113.153 34.298 38.783    22.611  38.783    22.611  0.0000    0.0000  113.153 34.298 ?       ?      0.000000       34.29845 
1 1 1 -17 13 20 o 214.808 35.838 141.664   39.819  141.664   39.819  0.0000    0.0000  214.808 35.838 ?       ?      0.000000       35.83807 
1 1 1 -17 13 22 o 81.054  37.444 -16.8128  38.138  -18.4166  52.791  -15.0620  55.157  94.205  43.707 97.335  44.988 -3.130119      62.72326 
1 1 1 -17 13 24 f 89.638  39.948 1.4192    38.866  -27.2731  48.888  50.698    64.069  86.452  40.735 128.563 54.252 -42.11034      67.84220 
1 1 1 -17 13 26 o 151.410 59.627 102.241   71.121  102.241   71.121  0.0000    0.0000  151.410 59.627 ?       ?      0.000000       59.62680 
1 1 1 -17 14 1  o 220.467 20.449 135.876   23.895  152.027   52.528  131.662   26.832  216.458 46.639 215.546 23.605 0.9126892      52.27244 
1 1 1 -17 14 3  o 222.876 17.361 137.160   20.581  159.612   31.913  121.172   26.930  236.694 25.554 206.267 24.852 30.42715       35.64573 
1 1 1 -17 14 5  o 134.550 25.518 52.466    17.734  65.884    24.151  36.767    26.125  148.775 31.272 112.017 37.226 36.75886       48.61781 
1 1 1 -17 14 7  o 190.820 20.733 101.950   20.869  108.527   29.835  95.649    29.203  192.816 29.823 180.016 31.400 12.80032       43.30598 
1 1 1 -17 14 9  o 146.740 24.258 61.756    18.417  74.675    27.114  50.690    25.095  157.785 33.108 129.049 35.267 28.73575       48.37257 
1 1 1 -17 14 11 o 68.275  28.105 5.6349    16.580  -12.7812  26.004  18.249    21.521  69.026  31.529 88.086  33.293 -19.05959      45.85288 
1 1 1 -17 14 13 o 154.745 32.876 72.090    26.434  0.0000    0.0000  72.090    26.434  ?       ?      154.745 32.876 0.000000       32.87620 
1 1 1 -17 14 15 o 98.424  36.455 25.264    25.539  41.329    28.207  -47.8008  60.154  117.006 38.672 92.989  44.218 24.01695       58.74280 
1 1 1 -17 14 17 o 196.981 54.506 138.181   59.511  138.181   59.511  0.0000    0.0000  196.981 54.506 ?       ?      0.000000       54.50598 
1 1 1 -17 14 19 o 260.861 26.570 197.135   36.641  179.964   42.603  245.928   71.815  244.031 33.443 266.249 52.176 -22.21823      61.97359 
1 1 1 -17 14 21 o 107.369 45.736 21.564    46.255  85.374    59.570  -75.3350  73.407  151.202 55.740 93.724  45.619 57.47808       72.02850 
1 1 1 -17 14 23 o 205.005 47.975 149.413   51.795  130.206   70.895  171.402   75.855  173.417 61.208 197.902 63.275 -24.48509      88.03477 
1 1 1 -17 15 2  o 142.050 33.740 61.619    25.314  39.678    38.133  78.906    33.847  118.422 44.410 157.818 39.962 -39.39597      59.74351 
1 1 1 -17 15 4  o 130.188 33.590 51.646    23.601  0.0000    0.0000  51.646    23.601  ?       ?      130.188 33.590 0.000000       33.59024 
1 1 1 -17 15 6  o 164.647 28.638 79.500    24.362  104.256   48.496  71.144    28.174  176.260 49.358 152.477 35.181 23.78285       60.61299 
1 1 1 -17 15 8  o 148.932 31.354 66.385    24.243  103.188   61.888  59.714    26.349  170.604 57.305 139.498 35.224 31.10541       67.26537 
1 1 1 -17 15 10 o 128.923 33.039 50.500    22.941  -20.5610  62.407  61.603    24.668  103.679 47.897 142.585 32.933 -38.90628      58.12641 
1 1 1 -17 15 12 o 141.686 35.323 61.886    26.739  0.0000    0.0000  61.886    26.739  ?       ?      141.686 35.323 0.000000       35.32330 
1 1 1 -17 15 14 o 86.399  32.830 17.700    20.997  -9.5926   50.267  23.468    23.110  97.196  44.178 94.495  34.736 2.700874       56.19835 
1 1 1 -17 15 16 o 115.731 48.161 29.757    49.427  29.757    49.427  0.0000    0.0000  115.731 48.161 ?       ?      0.000000       48.16089 
1 1 1 -17 15 18 o 187.122 39.204 112.033   38.071  139.538   58.634  91.984    50.059  194.970 54.158 160.045 51.426 34.92508       74.68404 
1 1 1 -17 16 3  o 147.986 41.122 70.812    33.798  0.0000    0.0000  70.812    33.798  ?       ?      147.986 41.122 0.000000       41.12218 
1 1 1 -17 16 5  o 130.855 39.988 54.267    30.645  14.777    61.455  67.337    35.354  115.640 50.949 143.963 42.721 -28.32344      66.48973 
1 1 1 -17 16 7  o 104.936 41.300 26.617    34.100  37.553    65.249  22.507    39.997  128.301 54.478 105.914 43.632 22.38641       69.79697 
1 1 1 -17 16 9  o 141.135 43.978 64.960    36.860  136.736   72.502  39.941    42.805  188.002 61.993 119.875 46.532 68.12713       77.51331 
1 1 1 -17 16 11 o 89.932  40.952 -11.0913  43.445  0.0000    0.0000  -11.0913  43.445  ?       ?      89.932  40.952 0.000000       40.95158 
1 1 1 -16 0  2  o 189.524 42.450 111.963   37.661  111.963   37.661  111.963   37.661  189.524 42.450 189.524 42.450 0.000000       0.000000 
1 1 1 -16 0  4  o 644.801 23.224 1129.18   80.048  1129.18   80.048  1129.18   80.048  644.801 23.224 644.801 23.224 -0.000000      0.000000 
1 1 1 -16 0  6  o 203.256 40.561 125.536   39.232  125.536   39.232  125.536   39.232  203.256 40.561 203.256 40.561 0.000000       0.000000 
1 1 1 -16 0  8  o 260.414 32.643 193.233   43.634  193.233   43.634  193.233   43.634  260.414 32.643 260.414 32.643 -0.000000      0.000000 
1 1 1 -16 0  10 o 338.618 32.204 321.035   57.250  321.035   57.250  321.035   57.250  338.618 32.204 338.618 32.204 -0.000000      0.000000 
1 1 1 -16 0  12 o 224.904 23.177 141.167   27.266  141.167   27.266  141.167   27.266  224.904 23.177 224.904 23.177 0.000000       0.000000 
1 1 1 -16 0  14 o 454.958 21.557 563.770   52.313  563.770   52.313  563.770   52.313  454.958 21.557 454.958 21.557 0.000000       0.000000 
1 1 1 -16 0  16 o 227.917 34.047 151.374   38.868  151.374   38.868  151.374   38.868  227.917 34.047 227.917 34.047 0.000000       0.000000 
1 1 1 -16 0  18 o 106.531 52.560 47.665    35.963  47.665    35.963  47.665    35.963  106.531 52.560 106.531 52.560 -0.000000      0.000000 
1 1 1 -16 0  20 o 81.160  42.809 27.012    24.825  27.012    24.825  27.012    24.825  81.160  42.809 81.160  42.809 -0.000000      0.000000 
1 1 1 -16 0  22 o 306.121 23.744 259.818   38.429  259.818   38.429  259.818   38.429  306.121 23.744 306.121 23.744 -0.000000      0.000000 
1 1 1 -16 0  24 o 127.054 55.968 67.120    39.982  67.120    39.982  67.120    39.982  127.054 55.968 127.054 55.968 -0.000000      0.000000 
1 1 1 -16 0  26 o 87.517  44.965 32.517    26.876  32.517    26.876  32.517    26.876  87.517  44.965 87.517  44.965 0.000000       0.000000 
1 1 1 -16 0  28 o 95.220  53.147 39.458    40.460  39.458    40.460  39.458    40.460  95.220  53.147 95.220  53.147 -0.000000      0.000000 
1 1 1 -16 0  30 o 60.562  38.560 6.0177    27.547  6.0177    27.547  6.0177    27.547  60.562  38.560 60.562  38.560 -0.000000      0.000000 
1 1 1 -16 0  32 o 101.309 48.499 45.409    30.298  45.409    30.298  45.409    30.298  101.309 48.499 101.309 48.499 -0.000000      0.000000 
1 1 1 -16 0  34 o 174.806 69.991 136.528   63.664  136.528   63.664  136.528   63.664  174.806 69.991 174.806 69.991 -0.000000      0.000000 
1 1 1 -16 0  36 o 121.615 68.562 81.068    68.209  81.068    68.209  81.068    68.209  121.615 68.562 121.615 68.562 0.000000       0.000000 
1 1 1 -16 0  38 o 89.893  59.315 21.922    73.655  21.922    73.655  21.922    73.655  89.893  59.315 89.893  59.315 0.000000       0.000000 
1 1 1 -16 0  40 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -16 1  1  o 479.700 14.966 621.477   38.489  574.879   54.076  669.322   54.795  459.401 21.956 496.174 20.599 -36.77393      30.10561 
1 1 1 -16 1  3  o 307.498 17.442 256.677   28.637  269.263   34.548  229.041   51.193  314.203 20.623 285.351 34.140 28.85144       39.88595 
1 1 1 -16 1  5  o 183.080 17.688 91.515    17.145  119.319   24.771  65.946    23.755  208.228 22.549 152.283 30.162 55.94533       37.65909 
1 1 1 -16 1  7  o 275.939 17.808 206.875   26.204  196.820   32.327  226.142   44.748  267.993 22.713 285.300 29.690 -17.30737      37.38132 
1 1 1 -16 1  9  o 357.521 16.885 345.624   32.365  357.160   40.069  323.971   54.897  362.081 20.727 341.669 30.283 20.41196       36.69701 
1 1 1 -16 1  11 o 259.676 18.233 183.569   25.223  183.702   30.302  183.271   45.513  258.861 22.044 254.699 34.193 4.161591       40.68311 
1 1 1 -16 1  13 o 170.488 18.364 79.714    16.521  93.857    23.845  66.658    22.910  183.582 24.867 153.128 28.967 30.45428       38.17671 
1 1 1 -16 1  15 o 338.746 15.159 310.329   27.531  333.019   39.012  287.819   38.857  348.924 20.951 323.780 22.525 25.14407       30.76239 
1 1 1 -16 1  17 o 119.162 28.054 40.854    17.626  48.155    21.005  23.476    32.404  128.959 30.804 105.446 40.610 23.51286       50.97102 
1 1 1 -16 1  19 o 280.926 15.738 214.762   23.608  213.633   32.972  215.950   33.819  278.113 22.301 279.453 22.770 -1.339813      31.87186 
1 1 1 -16 1  21 o 149.585 23.455 63.164    18.192  64.756    25.301  61.459    26.176  148.458 32.673 144.055 34.372 4.403366       47.42356 
1 1 1 -16 1  23 o 343.434 22.911 328.152   41.943  352.170   58.406  302.573   60.273  350.345 31.429 321.662 35.544 28.68283       47.44641 
1 1 1 -16 1  25 f 145.863 35.920 64.765    27.904  64.765    27.904  0.0000    0.0000  145.863 35.920 ?       ?      0.000000       35.92041 
1 1 1 -16 1  27 o 307.378 17.242 260.857   28.299  212.540   39.297  312.908   40.787  271.393 27.382 333.077 22.981 -61.68362      35.74778 
1 1 1 -16 1  29 o 189.948 26.826 106.197   26.558  98.132    47.421  109.883   32.057  165.471 49.563 189.340 32.766 -23.86852      59.41435 
1 1 1 -16 1  31 o 100.575 32.536 31.482    20.012  19.826    26.076  48.181    31.212  90.244  35.925 119.758 40.694 -29.51421      54.28242 
1 1 1 -16 1  33 o 126.056 39.449 55.271    29.623  86.749    39.721  15.825    44.465  152.482 45.290 98.227  43.305 54.25549       62.66158 
1 1 1 -16 1  35 o 89.713  34.847 22.978    24.019  16.831    32.542  30.334    35.601  89.832  38.316 100.921 41.321 -11.08834      56.35235 
1 1 1 -16 1  37 o 100.654 37.481 35.435    27.067  19.489    38.271  51.394    38.286  91.944  40.366 113.549 44.026 -21.60471      59.73050 
1 1 1 -16 1  39 o 112.502 48.960 68.369    55.219  102.457   77.909  33.959    78.276  118.936 54.420 100.241 48.389 18.69499       72.82186 
1 1 1 -16 2  2  o 368.550 14.260 366.573   28.177  375.950   39.908  357.252   39.789  371.481 20.113 361.958 20.589 9.522614       28.78225 
1 1 1 -16 2  4  o 328.154 17.145 292.118   30.059  296.038   36.853  284.328   51.954  329.395 20.978 319.618 30.697 9.776855       37.17993 
1 1 1 -16 2  6  o 474.126 20.861 610.691   53.028  715.117   75.830  510.753   74.183  509.725 27.854 428.444 32.538 81.28122       42.83192 
1 1 1 -16 2  8  o 196.372 18.627 105.394   19.376  114.695   23.850  87.338    33.229  204.153 22.145 173.869 36.795 30.28401       42.94540 
1 1 1 -16 2  10 o 268.068 18.104 195.532   25.866  218.144   31.607  149.679   45.008  282.508 21.018 228.353 38.106 54.15492       43.51857 
1 1 1 -16 2  12 o 312.218 17.164 264.740   28.621  264.740   28.621  0.0000    0.0000  312.218 17.164 ?       ?      0.000000       17.16444 
1 1 1 -16 2  14 o 362.099 15.411 354.611   29.919  364.369   41.575  344.128   43.089  364.981 21.339 354.158 22.815 10.82333       31.23913 
1 1 1 -16 2  16 o 365.133 17.981 362.185   35.199  353.143   42.465  382.034   62.919  358.665 22.193 368.459 32.174 -9.794800      39.08537 
1 1 1 -16 2  18 o 102.770 29.898 30.162    17.465  10.024    30.214  40.268    21.404  91.804  37.883 117.789 32.722 -25.98574      50.05877 
1 1 1 -16 2  20 f 226.948 21.311 142.543   25.626  124.412   42.032  153.270   32.329  204.202 39.823 233.564 26.274 -29.36255      47.70942 
1 1 1 -16 2  22 o 111.735 31.569 36.538    19.747  23.058    31.402  45.355    25.397  102.756 39.864 123.639 36.077 -20.88326      53.76521 
1 1 1 -16 2  24 o 182.634 23.693 94.273    22.652  89.067    27.623  104.962   39.582  174.540 30.637 184.346 41.098 -9.805283      51.26071 
1 1 1 -16 2  26 o 134.352 27.554 53.038    19.181  47.575    25.193  60.573    29.585  124.740 35.798 139.487 38.364 -14.74666      52.47196 
1 1 1 -16 2  28 o 136.050 47.680 61.416    42.967  61.416    42.967  0.0000    0.0000  136.050 47.680 ?       ?      0.000000       47.68042 
1 1 1 -16 2  30 o 75.803  30.318 11.506    18.657  27.573    23.926  -13.4214  29.802  97.426  35.415 71.961  33.193 25.46505       48.53825 
1 1 1 -16 2  32 o 153.851 30.055 73.774    23.902  66.696    32.480  82.135    35.300  138.038 40.944 152.678 41.870 -14.63980      58.56176 
1 1 1 -16 2  34 o 147.562 36.607 73.827    28.822  87.093    35.614  48.650    49.064  155.520 41.811 117.461 48.350 38.05952       63.92029 
1 1 1 -16 2  36 o 64.856  30.271 -12.8582  25.926  23.181    33.882  -63.7742  40.272  93.709  39.493 63.898  31.627 29.81129       50.59600 
1 1 1 -16 2  38 o 96.972  44.462 25.085    52.378  13.622    72.932  37.293    75.270  98.414  47.304 104.795 49.724 -6.381363      68.63075 
1 1 1 -16 2  40 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -16 3  1  o 438.143 16.975 519.953   39.875  553.187   49.151  455.965   68.202  450.921 20.331 404.036 31.741 46.88449       37.69368 
1 1 1 -16 3  3  o 270.475 20.613 200.040   29.666  234.345   41.735  165.005   42.177  290.908 27.070 241.523 33.472 49.38501       43.04854 
1 1 1 -16 3  5  o 186.606 18.470 95.277    18.236  108.306   22.777  72.014    30.435  198.335 21.779 157.499 36.720 40.83621       42.69292 
1 1 1 -16 3  7  o 329.472 17.929 294.873   31.551  310.477   38.528  263.106   54.972  337.168 21.425 305.888 34.101 31.28015       40.27256 
1 1 1 -16 3  9  o 269.044 15.820 196.311   22.719  200.786   26.026  181.977   46.574  271.652 17.971 253.253 35.258 18.39890       39.57391 
1 1 1 -16 3  11 o 130.782 21.378 47.729    14.472  59.962    16.268  1.3269    31.684  146.960 21.265 88.057  37.689 58.90335       43.27475 
1 1 1 -16 3  13 o 174.390 26.501 85.398    23.998  85.398    23.998  0.0000    0.0000  174.390 26.501 ?       ?      0.000000       26.50138 
1 1 1 -16 3  15 o 92.022  30.325 22.736    17.349  21.140    20.055  27.483    34.584  92.036  32.547 110.978 42.142 -18.94171      53.24757 
1 1 1 -16 3  17 o 100.006 27.420 28.616    15.141  27.573    19.630  30.149    23.791  99.923  32.214 105.510 35.530 -5.587227      47.95929 
1 1 1 -16 3  19 o 358.171 18.738 350.973   35.857  324.752   58.846  366.457   45.221  337.479 32.944 364.033 23.292 -26.55426      40.34659 
1 1 1 -16 3  21 o 202.621 27.417 116.637   29.019  120.858   38.634  111.174   43.957  201.917 37.054 190.010 44.014 11.90666       57.53456 
1 1 1 -16 3  23 o 117.607 29.588 40.683    18.640  46.960    21.541  21.973    37.191  125.820 31.891 106.184 42.686 19.63608       53.28345 
1 1 1 -16 3  25 o 159.832 27.569 74.221    22.771  43.952    26.965  149.458   42.513  120.663 37.617 222.518 36.930 -101.8549      52.71524 
1 1 1 -16 3  27 o 232.514 23.065 153.508   28.373  150.147   33.462  162.107   53.518  226.957 28.101 221.622 46.524 5.334183       54.35196 
1 1 1 -16 3  29 o 89.848  37.124 14.998    29.069  1.8020    40.869  28.507    41.353  91.995  40.984 108.170 44.441 -16.17511      60.45395 
1 1 1 -16 3  31 o 178.669 25.751 95.003    23.955  109.715   32.835  78.262    35.026  185.631 34.254 149.888 41.938 35.74324       54.14901 
1 1 1 -16 3  33 o 69.614  33.661 -40.9130  38.275  0.0000    0.0000  -40.9130  38.275  ?       ?      69.614  33.661 0.000000       33.66070 
1 1 1 -16 3  35 o 70.345  31.553 -1.4943   24.669  -60.0397  33.741  65.741    36.159  58.279  28.864 131.250 43.804 -72.97118      52.45830 
1 1 1 -16 3  37 o 132.589 47.710 78.361    43.273  108.725   58.142  40.655    64.791  143.575 54.613 108.036 49.504 35.53917       73.71041 
1 1 1 -16 3  39 o 116.522 49.836 78.579    55.322  -11.2063  76.611  176.414   79.971  90.030  44.385 144.619 60.797 -54.58881      75.27477 
1 1 1 -16 4  2  o 136.649 28.765 53.393    20.407  53.393    20.407  0.0000    0.0000  136.649 28.765 ?       ?      0.000000       28.76490 
1 1 1 -16 4  4  o 446.672 14.811 538.987   35.468  526.532   40.770  577.743   71.922  440.876 17.249 456.375 29.553 -15.49908      34.21881 
1 1 1 -16 4  6  o 170.205 17.327 79.251    15.591  79.123    17.368  79.781    35.377  169.630 19.449 164.811 40.359 4.818542       44.80104 
1 1 1 -16 4  8  o 256.889 17.551 179.609   24.027  196.424   28.341  136.630   45.309  268.148 19.855 216.663 40.495 51.48517       45.10015 
1 1 1 -16 4  10 o 336.293 17.474 307.294   31.397  313.606   37.923  293.542   55.978  338.740 20.985 323.268 32.751 15.47214       38.89701 
1 1 1 -16 4  12 o 411.129 17.586 458.423   38.762  439.509   47.189  497.657   67.964  400.658 22.053 422.651 30.192 -21.99298      37.38871 
1 1 1 -16 4  14 o 157.486 28.679 70.647    23.322  70.647    23.322  0.0000    0.0000  157.486 28.679 ?       ?      0.000000       28.67884 
1 1 1 -16 4  16 o 239.333 25.411 159.605   32.107  194.099   42.165  112.004   49.532  262.089 30.582 191.111 48.315 70.97786       57.18098 
1 1 1 -16 4  18 o 137.760 30.825 55.200    22.198  84.923    34.739  34.690    28.858  168.609 39.177 113.124 39.108 55.48515       55.35561 
1 1 1 -16 4  20 o 198.496 29.009 112.574   29.960  123.120   37.962  95.160    48.782  204.613 35.916 173.674 49.807 30.93881       61.40599 
1 1 1 -16 4  22 o 387.138 15.674 408.063   32.532  414.599   45.107  400.980   46.962  386.870 21.837 379.668 23.183 7.201965       31.84769 
1 1 1 -16 4  24 o 213.756 23.198 128.665   26.158  140.525   31.730  103.502   46.216  221.537 27.292 178.794 47.433 42.74300       54.72401 
1 1 1 -16 4  26 o 167.978 29.369 83.269    25.486  97.641    30.202  47.718    47.499  180.536 32.393 128.175 49.217 52.36125       58.92033 
1 1 1 -16 4  28 o 76.571  32.854 4.1566    24.183  11.476    38.660  -0.5486   30.997  96.198  41.413 81.462  36.022 14.73602       54.88768 
1 1 1 -16 4  30 o 126.327 32.272 50.447    21.936  34.765    29.595  69.569    32.680  106.641 39.292 143.063 40.679 -36.42237      56.55623 
1 1 1 -16 4  32 o 244.992 24.799 177.114   32.124  96.453    51.658  227.975   41.020  154.282 52.353 274.560 28.271 -120.2782      59.49848 
1 1 1 -16 4  34 o 226.936 30.310 161.063   35.956  172.939   61.337  154.846   44.380  202.215 55.083 211.103 40.688 -8.887039      68.48085 
1 1 1 -16 4  36 o 111.722 38.926 45.312    28.617  72.380    38.038  10.010    43.439  133.773 44.926 90.938  41.231 42.83492       60.97839 
1 1 1 -16 4  38 o 139.097 52.126 104.447   52.514  91.419    69.139  122.209   80.733  121.676 53.802 128.858 57.490 -7.181984      78.73882 
1 1 1 -16 5  1  o 231.857 17.968 146.829   22.161  142.249   26.524  157.416   40.328  227.125 22.061 235.271 32.870 -8.146271      39.58679 
1 1 1 -16 5  3  o 175.892 33.219 88.949    30.178  88.949    30.178  0.0000    0.0000  175.892 33.219 ?       ?      0.000000       33.21938 
1 1 1 -16 5  5  o 202.035 16.534 111.250   17.752  108.444   20.177  120.864   37.347  198.892 19.159 205.130 35.229 -6.237747      40.10141 
1 1 1 -16 5  7  o 155.360 23.236 67.355    18.760  67.627    22.065  66.645    35.632  154.505 27.653 150.427 42.374 4.078354       50.59853 
1 1 1 -16 5  9  f 145.392 24.405 59.402    18.349  55.034    21.012  73.433    37.658  138.637 29.193 157.391 43.280 -18.75369      52.20506 
1 1 1 -16 5  11 o 197.656 17.684 106.826   18.542  111.134   20.791  90.083    40.990  201.210 19.519 173.606 43.987 27.60376       48.12299 
1 1 1 -16 5  13 o 71.341  27.629 9.3967    15.064  9.3967    15.064  0.0000    0.0000  71.341  27.629 ?       ?      0.000000       27.62877 
1 1 1 -16 5  15 o 84.031  28.530 18.420    15.342  16.973    17.133  24.276    34.469  83.702  30.031 107.737 41.774 -24.03535      51.44805 
1 1 1 -16 5  17 o 274.256 18.183 205.795   26.584  226.599   31.936  158.853   47.973  286.929 20.904 231.803 40.050 55.12640       45.17751 
1 1 1 -16 5  19 o 57.817  25.795 -5.5847   16.252  3.8605    19.544  -26.7571  29.261  71.923  30.136 67.705  31.779 4.218307       43.79655 
1 1 1 -16 5  21 o 173.068 20.608 83.466    18.746  97.579    25.881  67.890    27.189  185.034 26.875 151.043 34.351 33.99068       43.61501 
1 1 1 -16 5  23 o 116.804 35.024 40.614    23.672  40.614    23.672  0.0000    0.0000  116.804 35.024 ?       ?      0.000000       35.02436 
1 1 1 -16 5  25 o 97.513  34.093 26.310    21.961  5.2054    25.808  81.698    41.809  80.605  34.245 157.821 46.358 -77.21639      57.63470 
1 1 1 -16 5  27 o 95.524  33.164 26.063    20.764  10.069    27.271  48.123    32.027  85.040  35.614 123.101 41.224 -38.06074      54.47743 
1 1 1 -16 5  29 o 133.071 38.124 58.209    28.594  104.746   48.953  34.108    35.229  168.096 50.358 108.704 42.209 59.39153       65.70792 
1 1 1 -16 5  31 o 153.042 34.641 75.612    27.761  130.935   42.862  35.635    36.435  195.434 42.147 108.766 42.728 86.66757       60.01677 
1 1 1 -16 5  33 o 162.034 34.876 85.994    29.400  116.298   36.384  28.980    49.906  186.438 37.696 107.801 46.729 78.63667       60.03806 
1 1 1 -16 5  35 o 201.519 28.113 126.354   29.547  85.443    40.123  174.825   43.673  146.766 45.908 226.555 37.251 -79.78896      59.11975 
1 1 1 -16 5  37 o 96.736  43.349 25.357    46.443  31.789    62.565  17.462    69.313  103.130 47.753 100.185 47.589 2.945076       67.41720 
1 1 1 -16 5  39 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -16 6  2  o 221.279 30.961 138.849   35.725  138.849   35.725  0.0000    0.0000  221.279 30.961 ?       ?      0.000000       30.96127 
1 1 1 -16 6  4  o 243.990 18.722 162.766   24.303  185.972   39.880  149.056   30.653  257.402 29.427 231.608 25.087 25.79361       38.66925 
1 1 1 -16 6  6  o 99.519  24.916 28.251    13.264  26.203    14.530  38.491    32.488  96.110  27.054 119.904 41.492 -23.79353      49.53305 
1 1 1 -16 6  8  o 347.321 16.860 327.070   31.394  361.782   38.365  256.708   54.621  364.020 19.731 300.661 34.511 63.35916       39.75313 
1 1 1 -16 6  10 o 150.776 22.540 63.491    17.661  70.248    21.604  49.879    30.664  157.648 26.502 131.241 39.978 26.40762       47.96463 
1 1 1 -16 6  12 o 219.451 19.715 132.266   22.948  149.900   27.992  96.130    40.072  232.857 22.711 179.281 42.362 53.57603       48.06605 
1 1 1 -16 6  14 o 334.883 17.457 305.646   31.234  305.646   31.234  0.0000    0.0000  334.883 17.457 ?       ?      0.000000       17.45695 
1 1 1 -16 6  16 o 304.671 22.168 256.189   35.962  288.704   49.739  220.578   52.054  320.202 29.299 276.169 36.014 44.03241       46.42651 
1 1 1 -16 6  18 o 133.393 32.114 52.260    22.691  29.264    32.235  74.845    31.946  109.473 40.875 158.002 38.145 -48.52874      55.90948 
1 1 1 -16 6  20 o 172.511 19.935 82.710    18.098  88.456    20.416  61.627    39.107  177.857 21.871 142.235 45.428 35.62199       50.41826 
1 1 1 -16 6  22 o 146.523 21.856 60.631    16.644  69.455    18.776  28.266    35.959  156.597 23.054 109.816 42.643 46.78123       48.47550 
1 1 1 -16 6  24 o 50.868  24.155 -20.0542  17.829  -12.2299  21.893  -35.4609  30.721  62.788  28.773 65.181  31.162 -2.392693      42.41374 
1 1 1 -16 6  26 o 130.945 31.053 52.186    21.470  56.060    30.373  48.317    30.353  132.329 39.672 123.695 40.076 8.633934       56.39137 
1 1 1 -16 6  28 o 236.792 25.943 163.915   32.396  218.423   57.428  138.472   39.234  256.562 43.291 209.604 36.224 46.95825       56.44706 
1 1 1 -16 6  30 o 164.132 34.118 85.599    29.043  69.103    43.157  99.253    39.264  137.872 47.816 169.238 43.144 -31.36665      64.40309 
1 1 1 -16 6  32 o 75.128  33.001 2.0692    25.611  18.407    30.766  -34.8075  46.222  91.857  38.092 79.795  38.169 12.06225       53.92508 
1 1 1 -16 6  34 o 74.954  32.826 4.0557    25.172  -34.8635  33.779  52.660    37.748  65.992  31.839 119.510 44.310 -53.51748      54.56265 
1 1 1 -16 6  36 o 86.294  37.745 14.277    33.188  6.3331    38.026  39.674    67.993  85.024  38.560 109.154 50.272 -24.12933      63.35786 
1 1 1 -16 6  38 o 124.325 56.968 127.366   85.800  0.0000    0.0000  127.366   85.800  ?       ?      124.325 56.968 0.000000       56.96782 
1 1 1 -16 7  1  o 384.839 14.459 400.871   29.832  419.103   42.303  382.835   42.076  391.197 20.239 373.499 21.099 17.69839       29.23644 
1 1 1 -16 7  3  o 286.690 20.532 225.540   31.349  225.540   31.349  0.0000    0.0000  286.690 20.532 ?       ?      0.000000       20.53186 
1 1 1 -16 7  5  o 322.513 14.721 281.450   25.454  302.799   35.907  259.885   36.088  332.567 20.235 307.401 22.044 25.16605       29.92291 
1 1 1 -16 7  7  o 112.745 28.187 36.581    16.993  31.532    21.707  44.571    27.308  106.317 33.833 124.296 37.697 -17.97932      50.65306 
1 1 1 -16 7  9  o 317.260 17.724 274.343   30.027  296.698   37.082  231.773   51.173  328.845 21.145 285.142 34.154 43.70303       40.16957 
1 1 1 -16 7  11 o 336.298 20.804 310.217   37.325  285.871   51.728  336.661   53.909  318.570 30.666 346.631 29.283 -28.06052      42.40094 
1 1 1 -16 7  13 o 291.460 21.015 233.630   32.617  233.630   32.617  0.0000    0.0000  291.460 21.015 ?       ?      0.000000       21.01460 
1 1 1 -16 7  15 o 201.124 17.919 111.032   19.119  117.673   22.033  90.788    38.466  206.471 20.162 173.312 41.867 33.15932       46.46905 
1 1 1 -16 7  17 o 214.315 17.157 125.881   19.548  121.959   22.242  139.193   40.980  210.111 19.985 217.755 36.386 -7.643051      41.51294 
1 1 1 -16 7  19 f 169.789 22.574 80.934    20.039  78.945    23.546  86.161    38.169  165.944 27.423 167.216 42.489 -1.272781      50.56997 
1 1 1 -16 7  21 o 262.243 23.215 192.582   32.302  191.003   42.145  194.831   50.292  256.842 31.250 255.189 37.911 1.653244       49.13086 
1 1 1 -16 7  23 f 99.638  32.947 28.435    20.474  28.435    20.474  0.0000    0.0000  99.638  32.947 ?       ?      0.000000       32.94743 
1 1 1 -16 7  25 o 171.417 21.831 83.588    19.608  94.251    21.573  32.933    47.022  181.790 22.624 116.534 47.576 65.25548       52.68148 
1 1 1 -16 7  27 o 83.289  33.499 13.843    22.917  32.530    33.838  -1.9915   31.148  107.833 41.507 80.553  35.841 27.28037       54.83989 
1 1 1 -16 7  29 o 84.548  35.617 10.693    27.539  -33.4773  54.710  25.683    31.871  88.996  42.276 99.927  39.736 -10.93123      58.01890 
1 1 1 -16 7  31 o 174.582 32.978 96.133    29.736  107.115   43.782  86.729    40.514  171.764 46.434 154.635 45.694 17.12819       65.14651 
1 1 1 -16 7  33 o 56.784  27.399 -30.1112  25.029  -29.1469  33.788  -31.2839  37.260  68.457  32.715 71.488  34.215 -3.030144      47.33878 
1 1 1 -16 7  35 o 101.679 40.773 34.263    33.840  23.745    38.231  72.328    72.730  95.825  41.218 123.779 54.935 -27.95428      68.67829 
1 1 1 -16 7  37 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -16 8  2  o 118.782 23.911 40.167    14.700  40.539    25.697  39.986    17.923  118.655 36.678 117.553 28.690 1.102242       46.56613 
1 1 1 -16 8  4  o 131.610 23.368 48.937    15.885  45.170    19.549  56.259    27.253  124.872 29.644 138.127 36.319 -13.25506      46.88090 
1 1 1 -16 8  6  o 39.311  18.714 -13.6637  10.834  -14.5922  12.951  -11.4990  19.775  44.018  20.809 60.458  27.568 -16.43990      34.54034 
1 1 1 -16 8  8  o 208.739 23.148 121.060   25.469  189.398   36.453  55.887    35.598  260.378 26.482 137.969 43.256 122.4090       50.71825 
1 1 1 -16 8  10 o 101.082 26.382 29.326    14.449  31.911    16.941  22.426    27.677  105.330 29.056 99.928  37.759 5.401825       47.64414 
1 1 1 -16 8  12 o 60.919  24.098 5.8983    11.665  7.0221    12.990  1.2156    26.516  64.775  25.491 80.254  34.418 -15.47974      42.82945 
1 1 1 -16 8  14 o 165.436 19.876 75.878    17.277  90.575    19.803  29.052    35.348  180.672 20.826 111.798 42.569 68.87342       47.38998 
1 1 1 -16 8  16 o 237.767 17.652 155.003   22.341  167.903   26.349  122.018   42.136  246.718 20.095 201.445 40.420 45.27362       45.13968 
1 1 1 -16 8  18 o 81.282  31.015 14.064    18.789  7.7340    22.842  27.310    33.042  79.948  32.959 107.653 41.117 -27.70461      52.69627 
1 1 1 -16 8  20 o 91.461  34.421 19.681    22.948  27.127    30.089  9.3293    35.479  104.640 39.409 95.293  40.301 9.346931       56.36642 
1 1 1 -16 8  22 o 186.741 25.526 100.009   24.887  100.009   24.887  0.0000    0.0000  186.741 25.526 ?       ?      0.000000       25.52564 
1 1 1 -16 8  24 o 118.735 29.963 42.572    19.074  49.375    21.877  21.008    38.951  127.146 32.091 103.856 42.947 23.29053       53.61271 
1 1 1 -16 8  26 o 141.811 25.189 59.062    18.450  72.224    20.087  -11.9476  46.656  157.433 24.603 91.417  41.933 66.01617       48.61786 
1 1 1 -16 8  28 o 175.561 26.024 90.843    23.753  87.733    26.693  102.670   52.060  169.775 30.444 165.290 52.374 4.484909       60.57966 
1 1 1 -16 8  30 o 79.400  32.264 12.184    21.497  -4.4102   28.065  35.743    33.440  74.574  33.536 108.721 41.402 -34.14646      53.28093 
1 1 1 -16 8  32 o 90.854  37.641 18.302    30.001  53.841    36.805  -52.0792  51.793  122.952 44.026 79.313  38.539 43.63898       58.51085 
1 1 1 -16 8  34 o 186.086 45.062 131.602   44.478  131.602   44.478  0.0000    0.0000  186.086 45.062 ?       ?      0.000000       45.06219 
1 1 1 -16 8  36 o 185.669 50.877 155.643   52.146  150.082   71.398  162.001   76.341  153.352 59.937 154.852 61.524 -1.500107      85.89300 
1 1 1 -16 9  1  o 135.780 29.191 53.449    20.618  80.497    30.267  30.033    28.162  165.164 35.255 107.545 38.511 57.61841       52.21081 
1 1 1 -16 9  3  o 212.464 22.075 125.246   24.778  125.246   24.778  0.0000    0.0000  212.464 22.075 ?       ?      0.000000       22.07468 
1 1 1 -16 9  5  o 182.499 19.939 92.064    19.191  152.533   34.144  64.139    23.203  232.583 27.942 148.950 30.092 83.63269       41.06385 
1 1 1 -16 9  7  o 108.843 32.258 34.042    20.167  0.0000    0.0000  34.042    20.167  ?       ?      108.843 32.258 0.000000       32.25797 
1 1 1 -16 9  9  o 130.188 24.450 48.196    16.439  44.308    19.406  58.075    30.933  123.505 29.678 139.636 39.532 -16.13144      49.43238 
1 1 1 -16 9  11 o 131.910 25.441 49.692    17.340  47.554    20.525  55.023    32.409  127.743 30.408 136.070 41.022 -8.326508      51.06316 
1 1 1 -16 9  13 o 103.449 29.958 30.824    17.571  30.824    17.571  0.0000    0.0000  103.449 29.958 ?       ?      0.000000       29.95775 
1 1 1 -16 9  15 o 196.792 19.342 107.039   20.143  100.237   23.070  128.861   41.323  189.117 23.242 207.829 38.504 -18.71234      44.97540 
1 1 1 -16 9  17 o 316.338 23.278 278.969   39.202  325.474   56.044  234.416   54.854  336.700 31.409 281.595 37.248 55.10495       48.72332 
1 1 1 -16 9  19 o 120.588 27.885 42.684    17.668  33.796    20.198  71.644    36.459  107.267 32.395 150.980 42.980 -43.71391      53.82089 
1 1 1 -16 9  21 o 177.080 21.725 88.540    20.193  91.605    22.800  77.393    43.483  179.023 24.390 153.367 47.762 25.65569       53.62879 
1 1 1 -16 9  23 o 81.428  30.113 16.433    17.412  31.359    19.806  -34.3399  36.531  102.638 32.279 72.730  34.548 29.90766       47.28076 
1 1 1 -16 9  25 o 94.633  32.242 25.837    19.594  25.837    19.594  0.0000    0.0000  94.633  32.242 ?       ?      0.000000       32.24231 
1 1 1 -16 9  27 o 101.463 31.835 31.236    19.278  20.661    21.365  77.574    44.723  88.985  33.267 148.088 48.682 -59.10306      58.96328 
1 1 1 -16 9  29 o 112.250 36.642 40.101    25.353  29.344    29.491  70.569    49.633  101.898 38.863 138.992 50.934 -37.09399      64.06677 
1 1 1 -16 9  31 o 193.554 25.527 111.469   25.843  111.469   25.843  0.0000    0.0000  193.554 25.527 ?       ?      0.000000       25.52684 
1 1 1 -16 9  33 o 97.837  40.399 26.626    34.392  23.424    40.717  34.597    64.249  98.638  42.482 112.010 50.522 -13.37244      66.00878 
1 1 1 -16 9  35 o 99.931  47.610 10.659    70.422  0.0000    0.0000  10.659    70.422  ?       ?      99.931  47.610 0.000000       47.60989 
1 1 1 -16 10 2  o 202.523 16.404 112.341   17.658  80.986    24.621  145.548   25.338  167.990 28.346 229.301 20.838 -61.31123      35.18165 
1 1 1 -16 10 4  o 158.339 18.915 69.447    15.739  40.610    22.329  97.922    22.188  117.770 33.673 187.276 22.552 -69.50549      40.52728 
1 1 1 -16 10 6  o 107.823 22.794 33.181    12.764  27.654    17.942  38.845    18.163  98.860  30.662 115.530 29.285 -16.67043      42.40009 
1 1 1 -16 10 8  o 190.406 25.766 102.316   25.627  169.417   35.905  32.629    36.590  244.883 27.843 115.437 43.461 129.4462       51.61485 
1 1 1 -16 10 10 o 236.771 19.307 154.368   24.295  162.119   31.727  143.381   37.775  240.599 24.959 222.820 32.584 17.77892       41.04485 
1 1 1 -16 10 12 o 203.758 28.410 118.438   30.191  118.438   30.191  0.0000    0.0000  203.758 28.410 ?       ?      0.000000       28.40957 
1 1 1 -16 10 14 o 196.743 27.028 110.227   27.756  87.019    38.494  135.359   40.058  167.744 42.694 213.810 36.240 -46.06644      56.00130 
1 1 1 -16 10 16 o 122.721 33.709 44.984    22.859  46.318    32.369  43.657    32.286  124.945 41.433 122.177 41.388 2.767960       58.56324 
1 1 1 -16 10 18 o 89.973  30.331 22.315    17.339  22.315    17.339  0.0000    0.0000  89.973  30.331 ?       ?      0.000000       30.33131 
1 1 1 -16 10 20 o 146.288 24.221 61.597    18.332  62.925    20.843  57.060    38.526  146.511 27.546 134.460 45.213 12.05170       52.94338 
1 1 1 -16 10 22 o 127.871 28.368 48.743    18.940  40.822    21.118  81.297    42.812  115.779 32.624 155.540 47.207 -39.76147      57.38305 
1 1 1 -16 10 24 o 60.405  27.198 -6.4147   18.525  -3.7304   21.492  -14.1749  36.541  67.236  29.850 80.964  37.128 -13.72805      47.63935 
1 1 1 -16 10 26 o 144.268 33.954 64.904    25.825  63.016    30.278  69.945    49.470  139.473 38.981 141.735 51.011 -2.261276      64.19987 
1 1 1 -16 10 28 o 198.909 22.253 113.647   23.324  96.745    25.513  199.672   57.557  180.454 27.216 241.458 46.144 -61.00380      53.57253 
1 1 1 -16 10 30 o 106.110 40.905 33.899    32.901  33.899    32.901  0.0000    0.0000  106.110 40.905 ?       ?      0.000000       40.90493 
1 1 1 -16 10 32 o 99.678  38.628 30.562    29.461  19.098    34.690  60.221    55.797  93.311  39.674 124.076 51.363 -30.76474      64.90179 
1 1 1 -16 10 34 o 54.452  27.796 -159.6312 47.351  0.0000    0.0000  -159.6312 47.351  ?       ?      54.452  27.796 0.000000       27.79640 
1 1 1 -16 11 1  o 136.342 23.572 52.995    16.607  41.124    28.660  58.996    20.377  118.612 38.970 142.607 27.649 -23.99512      47.78263 
1 1 1 -16 11 3  o 151.836 23.933 65.430    18.837  56.786    30.703  70.648    23.855  136.803 39.595 155.806 29.641 -19.00258      49.46094 
1 1 1 -16 11 5  o 88.328  29.150 21.353    16.029  26.181    35.671  20.132    17.943  108.681 42.397 88.012  30.814 20.66958       52.41149 
1 1 1 -16 11 7  o 98.029  36.883 22.644    26.343  0.0000    0.0000  22.644    26.343  ?       ?      98.029  36.883 0.000000       36.88251 
1 1 1 -16 11 9  o 200.494 20.867 111.787   22.102  59.157    42.462  131.344   25.885  140.126 47.465 216.845 22.597 -76.71954      52.56937 
1 1 1 -16 11 11 o 241.769 18.278 160.953   23.517  157.542   29.313  167.113   39.394  237.219 23.351 240.495 31.294 -3.276184      39.04650 
1 1 1 -16 11 13 o 117.344 25.100 39.845    15.313  29.844    17.544  71.826    31.375  101.347 30.099 153.295 38.288 -51.94793      48.70290 
1 1 1 -16 11 15 o 130.048 28.016 49.578    18.957  60.593    22.798  24.898    34.125  143.089 30.642 105.347 41.362 37.74174       51.47520 
1 1 1 -16 11 17 o 132.761 24.937 50.984    17.098  59.296    19.412  22.233    36.104  142.898 26.308 104.240 42.003 38.65853       49.56191 
1 1 1 -16 11 19 o 138.143 24.411 55.125    17.418  62.148    19.549  28.080    38.364  146.276 25.875 109.642 43.597 36.63465       50.69728 
1 1 1 -16 11 21 o 91.008  34.060 20.708    22.408  20.708    22.408  0.0000    0.0000  91.008  34.060 ?       ?      0.000000       34.06040 
1 1 1 -16 11 23 o 103.570 36.386 30.833    25.030  18.362    32.605  48.730    39.058  97.044  39.617 125.513 45.306 -28.46931      60.18435 
1 1 1 -16 11 25 o 78.413  33.183 6.3463    24.079  -12.3357  29.975  40.335    40.430  73.762  33.752 117.861 45.370 -44.09898      56.54765 
1 1 1 -16 11 27 o 189.232 26.015 105.182   25.695  116.059   29.885  74.350    50.317  196.777 29.215 143.304 51.459 53.47284       59.17410 
1 1 1 -16 11 29 o 101.189 44.140 16.819    45.113  16.819    45.113  0.0000    0.0000  101.189 44.140 ?       ?      0.000000       44.13996 
1 1 1 -16 11 31 o 108.422 40.263 39.213    31.193  50.743    38.084  15.714    54.368  118.743 44.411 102.550 46.345 16.19234       64.18880 
1 1 1 -16 12 2  o 117.686 30.928 41.129    19.769  46.389    36.941  39.018    23.403  125.825 44.204 114.643 34.926 11.18203       56.33696 
1 1 1 -16 12 4  o 342.884 15.571 320.575   28.624  338.280   40.707  303.259   40.257  348.756 21.882 329.560 22.927 19.19601       31.69311 
1 1 1 -16 12 6  o 270.409 18.340 201.470   26.432  221.346   44.109  190.334   33.016  277.364 30.148 260.344 23.922 17.02011       38.48542 
1 1 1 -16 12 8  o 347.522 15.070 328.901   28.077  303.229   39.070  356.318   40.377  330.002 22.212 358.469 21.102 -28.46634      30.63785 
1 1 1 -16 12 10 o 167.844 21.975 79.293    19.300  92.530    24.667  58.399    30.991  179.764 26.379 137.852 39.747 41.91196       47.70381 
1 1 1 -16 12 12 o 304.454 15.422 253.445   25.091  263.138   35.597  243.875   35.371  307.305 21.747 295.394 22.504 11.91086       31.29412 
1 1 1 -16 12 14 o 138.504 27.458 56.018    19.669  56.018    19.669  0.0000    0.0000  138.504 27.458 ?       ?      0.000000       27.45809 
1 1 1 -16 12 16 o 198.110 22.452 110.677   23.426  87.695    28.465  158.905   41.235  171.714 32.100 230.982 34.343 -59.26794      47.00936 
1 1 1 -16 12 18 o 43.534  21.401 -34.0739  17.395  -32.8794  21.700  -36.2213  29.096  51.999  25.192 62.504  30.000 -10.50465      39.17410 
1 1 1 -16 12 20 o 119.282 32.122 43.036    21.001  43.036    21.001  0.0000    0.0000  119.282 32.122 ?       ?      0.000000       32.12238 
1 1 1 -16 12 22 o 140.500 29.091 58.841    21.192  74.698    23.824  -1.2523   46.380  158.763 29.061 97.501  43.532 61.26184       52.34108 
1 1 1 -16 12 24 o 225.764 27.582 149.049   32.691  149.049   32.691  0.0000    0.0000  225.764 27.582 ?       ?      0.000000       27.58216 
1 1 1 -16 12 26 o 181.497 38.924 106.608   36.739  117.720   51.911  95.457    52.002  179.180 51.378 160.057 52.489 19.12212       73.44891 
1 1 1 -16 12 28 o 155.659 51.319 93.572    49.686  93.572    49.686  0.0000    0.0000  155.659 51.319 ?       ?      0.000000       51.31945 
1 1 1 -16 12 30 o 108.410 42.254 38.170    35.409  61.865    51.059  16.216    49.147  126.513 50.299 100.525 44.852 25.98784       67.39225 
1 1 1 -16 13 1  o 169.826 21.568 81.158    19.194  79.874    25.353  82.883    29.379  165.119 29.733 166.210 34.112 -1.091309      45.25165 
1 1 1 -16 13 3  o 83.112  29.193 17.993    16.111  9.0356    18.745  43.321    31.519  75.232  30.283 121.128 40.895 -45.89526      50.88630 
1 1 1 -16 13 5  o 169.954 19.918 80.659    17.805  82.236    24.530  78.903    25.885  168.442 28.157 163.863 30.589 4.578644       41.57490 
1 1 1 -16 13 7  o 105.835 27.416 32.825    15.681  49.106    21.812  15.408    22.560  128.286 31.858 86.476  33.722 41.80997       46.39072 
1 1 1 -16 13 9  o 281.935 20.284 220.520   30.456  193.894   35.699  291.708   58.374  261.566 25.793 314.474 35.228 -52.90799      43.66112 
1 1 1 -16 13 11 o 334.754 19.989 310.301   35.711  297.185   42.231  343.218   66.902  325.050 24.411 339.216 37.409 -14.16608      44.66919 
1 1 1 -16 13 13 o 159.683 27.500 73.945    22.694  65.797    25.391  106.298   50.597  148.245 32.814 179.089 50.510 -30.84441      60.23312 
1 1 1 -16 13 15 o 101.173 33.588 29.194    21.270  7.5549    23.457  129.264   50.444  79.916  33.211 199.336 47.815 -119.4201      58.21746 
1 1 1 -16 13 17 o 77.794  30.587 11.719    18.686  11.719    18.686  0.0000    0.0000  77.794  30.587 ?       ?      0.000000       30.58663 
1 1 1 -16 13 19 o 101.766 39.004 25.548    29.798  25.548    29.798  0.0000    0.0000  101.766 39.004 ?       ?      0.000000       39.00419 
1 1 1 -16 13 21 o 72.101  30.011 5.9283    19.198  2.5529    20.374  32.654    57.329  70.766  30.254 122.358 51.459 -51.59241      59.69402 
1 1 1 -16 13 23 o 255.568 35.951 200.798   47.897  142.801   63.414  277.831   73.084  195.117 57.029 286.288 49.400 -91.17160      75.45035 
1 1 1 -16 13 25 o 83.724  36.877 1.7156    32.171  -24.6075  36.752  87.988    66.535  75.714  35.564 150.783 58.157 -75.06908      68.16926 
1 1 1 -16 13 27 o 84.772  40.153 -28.6963  48.666  -28.6963  48.666  0.0000    0.0000  84.772  40.153 ?       ?      0.000000       40.15323 
1 1 1 -16 14 2  o 87.159  29.987 20.406    16.957  12.964    20.748  35.377    29.427  81.880  32.218 112.119 39.449 -30.23898      50.93394 
1 1 1 -16 14 4  o 121.375 25.604 42.757    16.137  46.933    29.323  40.943    19.327  124.777 39.281 117.526 30.433 7.251251       49.69084 
1 1 1 -16 14 6  o 226.812 17.871 141.879   21.555  97.203    30.915  184.141   30.069  181.209 33.039 256.792 22.054 -75.58250      39.72367 
1 1 1 -16 14 8  o 145.820 25.482 61.146    19.196  25.654    28.852  89.335    25.713  102.244 38.572 175.751 28.245 -73.50758      47.80765 
1 1 1 -16 14 10 o 47.232  21.905 -10.5322  13.241  2.7206    23.537  -16.6687  16.016  76.209  32.548 49.267  23.245 26.94158       39.99592 
1 1 1 -16 14 12 o 95.517  29.626 26.235    16.749  22.739    26.490  28.564    21.620  97.425  36.909 100.710 33.870 -3.284607      50.09460 
1 1 1 -16 14 14 o 127.132 30.542 48.115    20.557  62.604    30.692  36.327    27.684  142.143 39.066 112.178 38.324 29.96474       54.72541 
1 1 1 -16 14 16 o 76.814  30.997 9.5879    19.692  3.5445    21.722  37.476    46.662  73.988  31.425 121.778 48.189 -47.78941      57.53027 
1 1 1 -16 14 18 o 56.177  25.895 -11.8598  18.092  -11.8598  18.092  0.0000    0.0000  56.177  25.895 ?       ?      0.000000       25.89479 
1 1 1 -16 14 20 o 125.754 39.678 49.623    29.905  45.682    33.719  64.145    64.727  121.905 42.266 142.193 56.601 -20.28773      70.64075 
1 1 1 -16 14 22 o 229.808 34.719 161.753   41.443  59.198    50.954  362.198   71.235  134.516 51.135 338.811 39.987 -204.2950      64.91366 
1 1 1 -16 14 24 o 215.250 47.445 161.042   53.278  208.208   77.440  118.650   73.415  225.693 62.065 167.331 61.842 58.36304       87.61583 
1 1 1 -16 14 26 o 111.004 52.130 -3.1824   78.908  -3.1824   78.908  0.0000    0.0000  111.004 52.130 ?       ?      0.000000       52.12994 
1 1 1 -16 15 1  o 158.777 23.671 71.872    19.534  92.595    47.500  67.653    21.430  167.303 49.488 152.563 27.198 14.73933       56.46957 
1 1 1 -16 15 3  o 173.857 21.200 84.892    19.351  26.315    36.532  107.738   22.815  108.063 42.678 195.758 22.127 -87.69510      48.07275 
1 1 1 -16 15 5  o 93.391  27.784 25.200    14.940  34.521    23.334  18.724    19.449  108.806 35.126 86.996  31.883 21.80993       47.43801 
1 1 1 -16 15 7  o 81.997  29.074 17.262    16.014  23.567    23.491  11.789    21.888  95.953  35.059 82.019  32.826 13.93365       48.02779 
1 1 1 -16 15 9  o 163.816 23.927 76.373    20.395  37.795    31.980  102.818   26.478  115.595 41.076 189.227 26.852 -73.63184      49.07434 
1 1 1 -16 15 11 o 241.425 18.717 161.327   24.037  175.398   37.170  151.212   31.514  246.813 28.621 230.387 25.967 16.42574       38.64505 
1 1 1 -16 15 13 f 162.568 30.030 77.843    25.210  0.0000    0.0000  77.843    25.210  ?       ?      162.568 30.030 0.000000       30.03047 
1 1 1 -16 15 15 o 198.541 35.958 119.631   36.866  122.667   58.068  117.581   47.715  187.654 54.494 189.148 47.204 -1.493988      72.09541 
1 1 1 -16 15 17 o 220.392 37.069 148.850   42.245  148.850   42.245  0.0000    0.0000  220.392 37.069 ?       ?      0.000000       37.06878 
1 1 1 -16 15 19 o 129.643 45.435 53.596    39.015  53.596    39.015  0.0000    0.0000  129.643 45.435 ?       ?      0.000000       45.43471 
1 1 1 -16 15 21 o 116.334 46.478 37.070    43.796  37.070    43.796  0.0000    0.0000  116.334 46.478 ?       ?      0.000000       46.47807 
1 1 1 -16 15 23 o 159.611 47.466 91.236    43.609  40.958    80.199  112.342   51.963  128.531 57.325 172.992 51.897 -44.45999      77.32709 
1 1 1 -16 16 2  f 101.512 30.407 30.370    17.849  -1.6728   55.680  34.039    18.843  106.028 47.492 106.950 31.038 -0.9222412     56.73513 
1 1 1 -16 16 4  o 95.381  31.139 25.960    18.309  17.217    59.811  26.864    19.233  117.831 51.116 97.022  31.926 20.80950       60.26711 
1 1 1 -16 16 6  o 170.325 36.237 88.521    32.073  133.483   63.609  73.192    37.140  194.478 57.195 151.378 43.473 43.10016       71.84148 
1 1 1 -16 16 8  o 129.264 32.781 50.450    22.751  125.300   66.643  40.576    24.205  186.787 59.265 116.126 35.548 70.66092       69.10816 
1 1 1 -16 16 10 o 130.637 33.097 51.679    23.208  116.161   69.578  43.607    24.618  178.805 60.758 119.850 35.668 58.95482       70.45370 
1 1 1 -16 16 12 o 99.393  32.476 28.550    19.914  -39.3992  67.910  34.943    20.830  101.993 48.043 108.245 32.945 -6.252327      58.25337 
1 1 1 -16 16 14 o 147.391 31.249 65.266    23.927  -5.1081   57.561  79.966    26.307  105.324 47.634 163.607 31.129 -58.28308      56.90361 
1 1 1 -16 16 16 o 77.782  37.708 -61.6389  48.826  -61.6389  48.826  0.0000    0.0000  77.782  37.708 ?       ?      0.000000       37.70850 
1 1 1 -16 16 18 o 108.211 42.327 30.718    35.627  -2.9436   57.108  52.167    45.585  104.014 47.204 128.612 48.492 -24.59842      67.67348 
1 1 1 -16 17 3  o 59.013  27.793 -20.9506  22.712  0.0000    0.0000  -20.9506  22.712  ?       ?      59.013  27.793 0.000000       27.79309 
1 1 1 -16 17 5  o 114.165 52.025 -4.4165   70.280  -4.4165   70.280  0.0000    0.0000  114.165 52.025 ?       ?      0.000000       52.02463 
1 1 1 -16 17 7  o 134.598 41.600 57.547    33.058  256.417   79.875  16.442    36.314  269.777 57.010 99.282  41.295 170.4944       70.39489 
1 1 1 -16 17 9  o 126.421 41.413 49.929    32.375  11.267    75.122  58.748    35.877  122.489 54.994 135.435 43.538 -12.94592      70.14193 
1 1 1 -16 17 11 o 105.005 41.617 26.057    34.854  66.668    79.417  16.370    38.789  146.648 61.039 100.932 42.382 45.71626       74.31022 
1 1 1 -15 0  1  o 355.399 20.434 343.579   38.641  343.579   38.641  343.579   38.641  355.399 20.434 355.399 20.434 -0.000000      0.000000 
1 1 1 -15 0  3  o 618.547 22.785 1035.61   75.327  1035.61   75.327  1035.61   75.327  618.547 22.785 618.547 22.785 -0.000000      0.000000 
1 1 1 -15 0  5  o 68.970  42.126 11.576    29.548  11.576    29.548  11.576    29.548  68.970  42.126 68.970  42.126 -0.000000      0.000000 
1 1 1 -15 0  7  o 89.214  38.693 30.862    19.119  30.862    19.119  30.862    19.119  89.214  38.693 89.214  38.693 0.000000       0.000000 
1 1 1 -15 0  9  o 553.569 22.438 830.030   66.343  830.030   66.343  830.030   66.343  553.569 22.438 553.569 22.438 0.000000       0.000000 
1 1 1 -15 0  11 o 392.142 21.223 418.002   44.321  418.002   44.321  418.002   44.321  392.142 21.223 392.142 21.223 0.000000       0.000000 
1 1 1 -15 0  13 o 255.311 31.909 184.899   41.832  184.899   41.832  184.899   41.832  255.311 31.909 255.311 31.909 -0.000000      0.000000 
1 1 1 -15 0  15 o 802.499 25.719 1748.51   110.399 1748.51   110.399 1748.51   110.399 802.499 25.719 802.499 25.719 0.000000       0.000000 
1 1 1 -15 0  17 o 370.897 21.217 375.171   41.873  375.171   41.873  375.171   41.873  370.897 21.217 370.897 21.217 -0.000000      0.000000 
1 1 1 -15 0  19 o 123.081 52.338 59.903    35.087  59.903    35.087  59.903    35.087  123.081 52.338 123.081 52.338 0.000000       0.000000 
1 1 1 -15 0  21 o 345.190 32.426 335.134   58.792  335.134   58.792  335.134   58.792  345.190 32.426 345.190 32.426 -0.000000      0.000000 
1 1 1 -15 0  23 o 147.891 40.574 72.268    27.817  72.268    27.817  72.268    27.817  147.891 40.574 147.891 40.574 0.000000       0.000000 
1 1 1 -15 0  25 f 100.845 50.602 43.180    33.576  43.180    33.576  43.180    33.576  100.845 50.602 100.845 50.602 0.000000       0.000000 
1 1 1 -15 0  27 o 276.391 25.271 214.101   36.727  214.101   36.727  214.101   36.727  276.391 25.271 276.391 25.271 -0.000000      0.000000 
1 1 1 -15 0  29 o 120.271 44.542 54.570    26.653  54.570    26.653  54.570    26.653  120.271 44.542 120.271 44.542 0.000000       0.000000 
1 1 1 -15 0  31 o 169.862 39.193 92.924    31.065  92.924    31.065  92.924    31.065  169.862 39.193 169.862 39.193 -0.000000      0.000000 
1 1 1 -15 0  33 o 234.814 28.887 160.784   34.891  160.784   34.891  160.784   34.891  234.814 28.887 234.814 28.887 -0.000000      0.000000 
1 1 1 -15 0  35 o 79.615  48.038 24.118    37.439  24.118    37.439  24.118    37.439  79.615  48.038 79.615  48.038 0.000000       0.000000 
1 1 1 -15 0  37 o 171.227 49.126 104.863   39.101  104.863   39.101  104.863   39.101  171.227 49.126 171.227 49.126 0.000000       0.000000 
1 1 1 -15 0  39 f 68.334  48.029 -44.6396  68.039  -44.6396  68.039  -44.6396  68.039  68.334  48.029 68.334  48.029 -0.000000      0.000000 
1 1 1 -15 0  41 o 90.608  60.511 24.714    80.592  24.714    80.592  24.714    80.592  90.608  60.511 90.608  60.511 0.000000       0.000000 
1 1 1 -15 1  2  o 451.360 17.019 549.396   41.184  522.688   70.651  563.143   50.686  436.419 30.385 456.316 20.718 -19.89694      36.77638 
1 1 1 -15 1  4  o 207.508 16.717 116.793   18.440  126.376   26.336  107.577   25.828  214.787 23.241 197.632 24.931 17.15511       34.08384 
1 1 1 -15 1  6  o 272.613 17.600 201.214   25.587  193.201   31.626  216.398   43.535  266.287 22.359 280.368 29.400 -14.08087      36.93637 
1 1 1 -15 1  8  o 202.025 24.603 112.266   26.097  107.399   39.458  116.051   34.795  194.022 39.280 203.486 33.027 -9.464813      51.31935 
1 1 1 -15 1  10 o 414.028 14.791 461.591   32.833  434.742   46.413  488.484   46.452  400.198 21.713 425.061 20.383 -24.86270      29.78154 
1 1 1 -15 1  12 o 447.590 17.491 540.758   41.972  539.790   73.355  541.229   51.178  442.893 31.090 447.030 21.354 -4.137238      37.71711 
1 1 1 -15 1  14 o 331.238 17.561 297.274   31.075  300.654   38.239  290.701   53.324  332.228 21.585 323.912 31.088 8.315643       37.84667 
1 1 1 -15 1  16 o 549.292 15.545 814.698   45.779  830.040   64.438  799.064   65.049  552.532 21.753 541.898 22.390 10.63422       31.21688 
1 1 1 -15 1  18 o 425.532 17.468 490.708   39.852  490.950   48.428  490.201   70.139  423.991 21.373 419.226 31.435 4.764679       38.01296 
1 1 1 -15 1  20 o 410.037 17.448 456.545   38.357  494.487   67.288  438.281   46.684  420.538 30.042 399.737 21.866 20.80081       37.15710 
1 1 1 -15 1  22 f 310.330 18.493 263.501   30.628  250.745   36.901  291.748   54.913  301.020 23.040 320.122 32.444 -19.10272      39.79244 
1 1 1 -15 1  24 o 119.479 30.791 41.925    19.847  66.937    29.564  21.407    26.778  149.193 37.114 97.286  37.049 51.90656       52.44084 
1 1 1 -15 1  26 o 195.149 23.850 107.590   24.434  106.490   44.744  108.057   29.167  182.854 45.753 193.292 29.043 -10.43846      54.19255 
1 1 1 -15 1  28 o 228.714 18.652 145.287   22.672  140.275   30.976  151.070   33.273  220.772 26.714 228.627 27.712 -7.855286      38.49137 
1 1 1 -15 1  30 o 149.357 39.924 72.614    32.583  53.196    43.684  96.963    48.919  128.568 47.667 164.822 50.549 -36.25375      69.47923 
1 1 1 -15 1  32 o 112.530 34.897 40.809    23.240  29.032    29.438  60.293    37.864  100.643 38.722 130.546 44.816 -29.90351      59.22673 
1 1 1 -15 1  34 o 127.395 35.232 54.555    24.873  75.992    37.196  37.216    33.452  142.585 44.136 106.878 41.233 35.70693       60.40038 
1 1 1 -15 1  36 o 184.673 27.273 105.582   26.190  81.067    37.072  130.008   37.006  145.060 43.906 195.381 36.675 -50.32130      57.20825 
1 1 1 -15 1  38 o 83.921  34.899 18.127    25.927  10.980    38.532  24.040    35.047  86.888  39.164 92.645  39.646 -5.756821      55.72802 
1 1 1 -15 1  40 o 120.142 50.708 87.507    55.987  78.381    78.945  96.741    79.414  109.394 51.611 114.469 53.276 -5.075394      74.17566 
1 1 1 -15 1  42 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -15 2  1  o 509.263 17.434 699.999   47.600  693.706   58.522  712.303   81.822  506.054 21.570 509.461 30.090 -3.406799      37.02272 
1 1 1 -15 2  3  o 510.285 15.048 701.327   41.168  699.360   58.215  703.294   58.225  508.353 21.360 509.794 21.303 -1.440613      30.16739 
1 1 1 -15 2  5  o 401.195 14.804 433.371   31.842  447.908   37.143  393.069   61.843  407.585 16.998 378.167 30.769 29.41769       35.15212 
1 1 1 -15 2  7  o 384.088 14.735 397.183   30.343  388.573   35.261  421.751   59.563  379.587 17.327 392.479 28.501 -12.89264      33.35451 
1 1 1 -15 2  9  o 534.223 31.072 782.916   88.609  0.0000    0.0000  782.916   88.609  ?       ?      534.223 31.072 0.000000       31.07154 
1 1 1 -15 2  11 o 544.119 17.439 799.083   50.873  707.093   61.705  994.295   89.889  510.681 22.537 603.811 27.767 -93.13040      35.76262 
1 1 1 -15 2  13 o 379.094 15.138 387.470   30.767  371.794   43.122  403.724   43.910  369.573 21.861 385.303 21.340 -15.72992      30.54965 
1 1 1 -15 2  15 o 559.547 18.171 847.255   54.512  892.119   66.797  757.792   94.325  573.010 21.743 522.158 33.877 50.85156       40.25445 
1 1 1 -15 2  17 o 524.157 22.352 748.956   62.814  712.397   87.688  787.487   90.023  505.597 32.522 532.168 31.696 -26.57104      45.41260 
1 1 1 -15 2  19 o 432.559 14.851 506.005   34.441  481.713   48.476  530.766   48.942  419.467 21.629 441.199 20.691 -21.73285      29.93178 
1 1 1 -15 2  21 o 266.147 18.525 193.846   26.269  197.056   31.868  187.040   46.398  267.085 22.464 254.994 34.851 12.09053       41.46361 
1 1 1 -15 2  23 o 215.396 21.052 128.576   24.001  155.937   38.668  111.429   30.611  232.901 31.799 197.114 29.904 35.78708       43.65150 
1 1 1 -15 2  25 o 217.413 21.242 131.627   24.443  136.744   29.717  120.924   42.981  219.789 25.704 198.350 41.739 21.43912       49.01896 
1 1 1 -15 2  27 o 300.467 17.070 248.321   27.384  258.067   37.984  237.773   39.514  302.898 23.576 289.384 25.738 13.51385       34.90345 
1 1 1 -15 2  29 o 123.799 33.996 47.281    23.253  58.015    26.995  16.411    45.780  136.095 36.321 105.912 45.317 30.18305       58.07640 
1 1 1 -15 2  31 o 136.641 30.200 57.506    21.535  53.707    29.720  61.706    31.247  127.436 39.453 135.874 40.123 -8.438293      56.27132 
1 1 1 -15 2  33 o 161.443 29.331 80.803    24.452  61.566    32.956  104.363   36.471  131.713 41.664 174.481 39.861 -42.76848      57.66078 
1 1 1 -15 2  35 o 97.041  38.543 27.810    29.954  61.443    41.677  -8.1252   43.081  125.735 46.570 84.829  39.400 40.90562       61.00164 
1 1 1 -15 2  37 o 139.366 41.513 74.121    33.337  37.823    61.301  89.363    39.724  108.772 49.179 148.312 45.563 -39.53931      67.04115 
1 1 1 -15 2  39 o 153.862 53.365 126.303   53.757  36.170    75.703  217.977   76.348  103.190 49.218 181.438 63.560 -78.24831      80.38812 
1 1 1 -15 2  41 o 127.989 58.030 181.165   86.048  181.165   86.048  0.0000    0.0000  127.989 58.030 ?       ?      0.000000       58.03007 
1 1 1 -15 3  2  o 484.632 21.705 636.492   56.395  636.492   56.395  0.0000    0.0000  484.632 21.705 ?       ?      0.000000       21.70496 
1 1 1 -15 3  4  o 160.693 17.099 70.436    14.505  78.610    17.106  49.517    27.364  169.511 19.159 132.042 37.112 37.46875       41.76545 
1 1 1 -15 3  6  o 380.859 14.489 390.589   29.586  367.909   33.885  463.342   60.690  369.309 17.114 411.499 27.670 -42.18994      32.53463 
1 1 1 -15 3  8  o 146.477 23.284 59.581    17.673  68.528    20.757  36.005    33.697  156.830 25.568 120.004 42.215 36.82639       49.35422 
1 1 1 -15 3  10 o 459.942 14.703 569.923   36.257  514.607   41.582  745.345   74.050  436.552 17.766 522.422 26.525 -85.86984      31.92560 
1 1 1 -15 3  12 o 519.007 15.224 726.331   42.361  679.724   48.589  873.989   86.484  501.480 18.072 564.455 28.673 -62.97534      33.89278 
1 1 1 -15 3  14 o 397.002 21.126 429.038   44.804  429.038   44.804  0.0000    0.0000  397.002 21.126 ?       ?      0.000000       21.12593 
1 1 1 -15 3  16 o 464.326 21.550 586.804   53.646  523.536   74.925  653.357   76.845  433.356 32.485 485.869 29.642 -52.51303      43.97640 
1 1 1 -15 3  18 o 351.043 17.802 335.204   33.395  333.497   40.396  338.887   59.350  348.924 21.702 347.352 32.237 1.571594       38.86156 
1 1 1 -15 3  20 o 251.166 25.882 175.863   34.353  0.0000    0.0000  175.863   34.353  ?       ?      251.166 25.882 0.000000       25.88202 
1 1 1 -15 3  22 o 256.340 17.082 179.625   23.341  181.264   31.221  177.548   35.146  255.515 23.039 251.499 26.463 4.016006       35.08641 
1 1 1 -15 3  24 f 150.088 23.026 63.668    17.937  43.749    23.179  93.400    28.318  121.483 34.160 179.426 30.532 -57.94362      45.81601 
1 1 1 -15 3  26 o 203.609 22.589 116.541   24.242  140.171   29.655  68.936    42.091  222.243 25.341 147.385 47.135 74.85733       53.51515 
1 1 1 -15 3  28 o 263.233 18.280 192.143   25.638  199.861   35.080  183.294   37.562  264.745 25.011 251.329 28.373 13.41629       37.82320 
1 1 1 -15 3  30 o 194.084 28.051 111.653   28.341  96.466    47.727  119.926   35.224  163.861 49.867 196.578 34.690 -32.71765      60.74662 
1 1 1 -15 3  32 o 75.704  31.197 9.9221    20.456  22.534    27.841  -4.8734   30.156  93.641  37.170 76.277  34.489 17.36379       50.70599 
1 1 1 -15 3  34 f 214.629 32.058 146.343   35.759  122.594   49.597  172.052   51.603  174.979 50.233 216.236 45.930 -41.25706      68.06548 
1 1 1 -15 3  36 o 96.591  35.513 30.046    24.158  20.604    31.605  43.314    37.466  91.280  38.289 110.230 43.320 -18.94958      57.81557 
1 1 1 -15 3  38 o 71.087  32.270 -0.9165   26.713  -12.1556  36.086  12.707    39.731  74.384  35.033 88.089  39.731 -13.70499      52.97036 
1 1 1 -15 3  40 o 102.046 46.263 50.524    54.675  46.468    76.524  54.754    78.147  100.448 48.325 102.389 49.149 -1.941170      68.92702 
1 1 1 -15 4  1  o 344.104 16.740 319.772   30.883  281.343   52.359  340.272   38.243  318.520 31.056 353.802 20.246 -35.28180      37.07250 
1 1 1 -15 4  3  o 312.829 19.978 265.974   33.332  265.974   33.332  0.0000    0.0000  312.829 19.978 ?       ?      0.000000       19.97818 
1 1 1 -15 4  5  o 251.657 17.113 171.733   22.952  141.006   27.104  249.634   43.155  226.888 22.582 301.402 26.992 -74.51401      35.19268 
1 1 1 -15 4  7  o 277.147 15.229 207.659   22.542  210.797   25.646  196.999   47.269  278.910 17.235 265.466 33.992 13.44391       38.11230 
1 1 1 -15 4  9  o 348.113 17.612 328.159   32.763  352.327   39.680  276.395   58.073  360.071 20.641 314.603 35.025 45.46762       40.65449 
1 1 1 -15 4  11 o 352.498 14.967 335.054   28.285  323.136   32.277  374.496   58.718  345.370 17.489 368.288 29.999 -22.91745      34.72446 
1 1 1 -15 4  13 o 154.833 31.374 68.331    25.152  38.466    32.684  111.704   39.387  121.052 41.632 196.806 38.708 -75.75346      56.84722 
1 1 1 -15 4  15 o 391.865 20.889 418.715   43.728  418.715   43.728  0.0000    0.0000  391.865 20.889 ?       ?      0.000000       20.88942 
1 1 1 -15 4  17 o 405.943 17.426 446.841   37.925  387.852   45.259  585.922   69.495  376.124 22.548 459.767 28.331 -83.64352      36.20869 
1 1 1 -15 4  19 o 136.269 28.839 53.379    20.412  63.914    31.923  46.091    26.549  146.868 39.626 125.958 36.925 20.91075       54.16369 
1 1 1 -15 4  21 o 184.713 19.757 94.272    19.262  77.919    25.740  115.086   29.039  164.404 30.320 201.685 27.579 -37.28146      40.98679 
1 1 1 -15 4  23 o 171.547 24.244 83.070    21.676  64.147    24.730  145.806   45.029  147.671 32.148 220.677 39.510 -73.00543      50.93683 
1 1 1 -15 4  25 o 157.135 27.670 71.435    22.459  50.977    27.259  114.680   39.631  129.777 37.235 193.893 39.466 -64.11690      54.25931 
1 1 1 -15 4  27 o 153.692 25.955 68.398    20.625  55.120    27.583  85.236    31.063  133.542 37.164 167.059 35.761 -33.51701      51.57550 
1 1 1 -15 4  29 o 259.965 26.029 195.533   35.790  195.533   35.790  0.0000    0.0000  259.965 26.029 ?       ?      0.000000       26.02854 
1 1 1 -15 4  31 o 232.369 20.950 154.261   25.819  145.269   34.934  165.086   38.329  218.073 30.732 231.792 31.672 -13.71901      44.13108 
1 1 1 -15 4  33 o 305.762 22.303 271.484   36.309  296.419   57.938  255.358   46.594  301.130 36.642 286.902 30.772 14.22745       47.84954 
1 1 1 -15 4  35 o 220.977 24.707 146.270   28.770  123.441   39.875  171.055   41.549  186.643 40.972 227.827 35.147 -41.18405      53.98172 
1 1 1 -15 4  37 o 155.597 35.968 84.610    29.404  90.520    38.968  76.795    44.808  149.664 44.951 132.085 48.396 17.57883       66.05099 
1 1 1 -15 4  39 o 193.805 50.572 174.879   53.103  98.987    71.370  268.996   79.479  122.002 54.269 205.209 64.680 -83.20725      84.43100 
1 1 1 -15 4  41 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -15 5  2  o 225.507 15.048 137.802   18.088  110.899   24.653  169.175   26.622  200.544 23.367 248.995 20.114 -48.45078      30.83208 
1 1 1 -15 5  4  o 405.620 20.651 447.261   44.760  447.261   44.760  0.0000    0.0000  405.620 20.651 ?       ?      0.000000       20.65081 
1 1 1 -15 5  6  o 166.569 17.141 75.730    15.089  60.190    16.459  157.586   37.775  147.463 21.447 237.793 30.320 -90.32962      37.13905 
1 1 1 -15 5  8  o 392.654 14.464 415.638   30.449  377.576   34.507  549.518   64.717  373.804 17.218 447.559 27.099 -73.75500      32.10637 
1 1 1 -15 5  10 o 242.114 18.754 159.634   24.153  168.087   27.970  134.843   47.898  247.943 21.246 215.341 42.993 32.60214       47.95635 
1 1 1 -15 5  12 o 288.535 22.856 228.098   35.067  217.609   46.018  242.624   54.154  279.166 31.284 293.493 35.113 -14.32718      47.02827 
1 1 1 -15 5  14 o 268.600 15.641 195.654   22.426  198.709   25.772  186.125   45.515  270.221 17.890 256.569 33.920 13.65201       38.34895 
1 1 1 -15 5  16 o 248.640 15.563 167.893   20.641  155.909   23.446  209.189   43.522  238.931 18.446 273.131 30.228 -34.19963      35.41164 
1 1 1 -15 5  18 o 424.132 14.817 486.812   33.693  489.893   38.706  477.176   68.457  424.841 16.993 412.261 31.203 12.57993       35.53061 
1 1 1 -15 5  20 o 140.996 33.758 58.393    25.180  0.0000    0.0000  58.393    25.180  ?       ?      140.996 33.758 0.000000       33.75826 
1 1 1 -15 5  22 o 181.543 18.917 91.080    18.142  70.425    23.584  121.014   28.392  156.066 29.262 206.981 26.170 -50.91588      39.25697 
1 1 1 -15 5  24 o 191.501 21.363 102.427   21.560  92.731    29.226  114.002   31.934  177.892 31.811 198.003 31.108 -20.11044      44.49332 
1 1 1 -15 5  26 o 306.566 17.030 258.474   27.880  248.983   38.646  268.774   40.259  296.904 24.497 308.514 24.543 -11.61044      34.67632 
1 1 1 -15 5  28 o 98.282  34.279 27.443    22.195  28.433    25.822  24.642    43.430  101.259 36.794 109.205 45.270 -7.946060      58.33630 
1 1 1 -15 5  30 o 77.104  34.433 -2.8673   29.036  -32.7127  40.474  28.782    41.679  76.380  36.306 107.946 44.513 -31.56575      57.44129 
1 1 1 -15 5  32 o 174.935 28.033 93.078    25.404  117.047   34.281  63.884    37.833  190.843 34.787 132.905 44.804 57.93741       56.72341 
1 1 1 -15 5  34 o 96.650  40.209 23.407    34.438  -10.0344  49.882  53.862    47.602  89.993  41.997 121.123 48.433 -31.13087      64.10570 
1 1 1 -15 5  36 o 225.502 25.675 155.006   30.488  136.400   42.999  173.816   43.234  191.992 42.859 225.400 37.066 -33.40736      56.66379 
1 1 1 -15 5  38 f 172.614 50.763 138.043   50.107  187.693   67.132  75.593    75.291  182.393 59.629 117.015 53.525 65.37846       80.12863 
1 1 1 -15 5  40 o 94.555  45.489 32.032    67.790  32.032    67.790  0.0000    0.0000  94.555  45.489 ?       ?      0.000000       45.48864 
1 1 1 -15 6  1  o 443.423 14.296 530.662   33.987  486.184   47.602  576.909   48.540  422.785 21.001 460.964 19.641 -38.17834      28.75412 
1 1 1 -15 6  3  o 453.736 18.831 558.007   45.809  368.041   62.067  785.299   67.892  363.404 32.190 536.593 23.599 -173.1893      39.91394 
1 1 1 -15 6  5  o 396.274 16.613 424.483   35.294  402.590   42.946  470.040   61.950  384.440 20.915 412.908 28.152 -28.46753      35.07128 
1 1 1 -15 6  7  o 377.209 14.384 383.817   29.089  365.069   33.682  438.841   57.702  367.407 17.099 399.315 27.113 -31.90778      32.05507 
1 1 1 -15 6  9  o 434.095 17.189 509.790   40.003  519.250   48.986  490.852   69.310  437.150 20.901 420.642 30.951 16.50888       37.34731 
1 1 1 -15 6  11 o 441.750 14.528 526.755   34.408  512.858   39.539  570.121   69.846  435.343 16.940 454.143 28.836 -18.80011      33.44373 
1 1 1 -15 6  13 o 136.638 20.400 51.851    14.487  65.194    16.613  9.5090    29.594  153.458 20.722 91.404  37.579 62.05420       42.91348 
1 1 1 -15 6  15 o 243.813 22.941 163.966   29.634  163.966   29.634  0.0000    0.0000  243.813 22.941 ?       ?      0.000000       22.94070 
1 1 1 -15 6  17 o 413.644 14.568 462.924   32.306  435.314   37.041  550.684   66.039  400.377 17.256 444.987 27.821 -44.60983      32.73766 
1 1 1 -15 6  19 o 285.017 18.974 222.567   28.828  227.529   35.475  212.920   49.467  286.646 23.285 272.043 34.707 14.60327       41.79425 
1 1 1 -15 6  21 o 213.398 17.663 125.026   20.026  123.476   22.731  130.399   42.328  211.265 20.320 209.016 39.213 2.248962       44.16525 
1 1 1 -15 6  23 o 179.387 20.665 89.708    19.511  129.935   27.771  50.498    27.419  214.778 24.559 129.602 37.391 85.17570       44.73514 
1 1 1 -15 6  25 o 137.697 30.279 56.203    21.744  57.817    25.783  52.226    40.466  138.041 34.837 131.585 46.263 6.455093       57.91291 
1 1 1 -15 6  27 o 294.086 20.859 242.354   32.675  257.772   40.270  212.641   55.903  300.377 25.240 259.663 41.558 40.71332       48.62240 
1 1 1 -15 6  29 o 216.792 27.153 138.465   30.868  155.245   54.328  130.466   37.511  209.762 49.166 204.132 35.567 5.629669       60.68203 
1 1 1 -15 6  31 o 282.468 19.407 226.088   29.212  222.757   40.401  229.737   42.288  272.628 28.040 275.880 29.027 -3.252045      40.35837 
1 1 1 -15 6  33 o 212.496 33.583 143.998   36.989  90.415    50.518  205.919   54.307  149.056 51.731 242.831 43.302 -93.77527      67.46198 
1 1 1 -15 6  35 o 91.600  38.203 20.452    31.197  -38.5655  58.431  43.983    36.896  85.876  41.540 111.744 43.250 -25.86844      59.96737 
1 1 1 -15 6  37 o 102.437 47.937 22.978    65.725  0.0000    0.0000  22.978    65.725  ?       ?      102.437 47.937 0.000000       47.93674 
1 1 1 -15 6  39 o 149.276 51.964 122.474   50.992  180.866   69.571  54.692    74.957  160.799 60.048 104.116 49.465 56.68349       77.79847 
1 1 1 -15 7  2  o 273.042 20.685 204.012   30.056  163.307   42.614  244.304   42.397  239.795 34.108 296.937 26.925 -57.14177      43.45441 
1 1 1 -15 7  4  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -15 7  6  o 443.040 16.968 531.329   40.304  557.443   69.306  517.984   49.543  448.801 28.958 436.261 21.182 12.53989       35.87817 
1 1 1 -15 7  8  o 182.502 23.258 92.323    22.240  92.199    30.855  92.458    32.086  179.485 33.290 179.326 34.627 0.1598663      48.03381 
1 1 1 -15 7  10 o 239.212 17.666 155.912   22.497  168.961   27.390  128.860   39.437  248.333 20.763 211.871 36.008 36.46172       41.56493 
1 1 1 -15 7  12 f 291.086 14.893 229.615   23.165  240.233   26.612  196.410   47.060  297.334 16.763 263.059 34.175 34.27481       38.06494 
1 1 1 -15 7  14 o 290.433 19.007 230.378   29.433  230.378   29.433  0.0000    0.0000  290.433 19.007 ?       ?      0.000000       19.00703 
1 1 1 -15 7  16 o 406.449 17.580 448.976   38.308  534.573   47.863  296.410   63.900  442.549 20.173 320.583 37.913 121.9661       42.94543 
1 1 1 -15 7  18 o 386.235 18.338 406.600   37.974  428.012   46.902  365.853   64.700  394.149 22.287 357.838 34.139 36.31052       40.76927 
1 1 1 -15 7  20 o 319.205 22.301 281.986   37.924  266.089   51.813  300.331   55.659  304.949 32.177 323.950 32.485 -19.00171      45.72359 
1 1 1 -15 7  22 o 192.758 20.557 103.334   20.917  104.630   24.687  100.038   39.382  192.570 24.464 180.468 41.561 12.10182       48.22669 
1 1 1 -15 7  24 o 83.402  33.364 12.364    22.599  12.364    22.599  0.0000    0.0000  83.402  33.364 ?       ?      0.000000       33.36379 
1 1 1 -15 7  26 o 127.034 27.423 47.736    18.130  52.555    23.644  40.857    28.245  131.049 33.518 116.205 38.711 14.84389       51.20575 
1 1 1 -15 7  28 o 226.141 23.695 147.047   28.302  168.526   47.928  135.547   35.069  228.588 40.595 211.460 31.927 17.12822       51.64587 
1 1 1 -15 7  30 o 96.582  34.358 27.549    22.381  23.629    30.455  32.152    33.002  97.033  38.761 105.587 40.893 -8.553726      56.34438 
1 1 1 -15 7  32 o 312.316 22.899 282.810   38.076  202.212   60.218  336.500   49.148  233.986 49.545 335.231 27.591 -101.2452      56.70978 
1 1 1 -15 7  34 o 69.441  32.288 -13.4410  29.053  -7.4384   34.676  -27.5808  53.221  78.431  36.041 86.300  41.191 -7.868530      54.73228 
1 1 1 -15 7  36 o 164.440 39.635 98.400    34.532  103.555   40.495  84.658    66.116  161.556 45.054 129.313 54.869 32.24324       70.99673 
1 1 1 -15 7  38 o 79.693  39.288 -43.1436  60.019  -43.1436  60.019  0.0000    0.0000  79.693  39.288 ?       ?      0.000000       39.28786 
1 1 1 -15 8  1  o 239.786 14.526 156.005   18.585  160.976   26.355  151.087   26.213  242.176 20.491 234.404 21.084 7.771225       29.40068 
1 1 1 -15 8  3  o 433.158 16.652 508.380   38.671  502.069   47.472  520.830   66.675  429.239 20.628 432.948 28.891 -3.708588      35.49939 
1 1 1 -15 8  5  o 225.485 17.358 138.637   20.823  146.928   26.026  123.890   34.710  231.224 21.232 208.835 32.023 22.38892       38.42233 
1 1 1 -15 8  7  f 212.021 18.575 122.972   20.901  146.593   35.534  110.476   25.845  228.339 29.731 199.301 24.718 29.03813       38.66461 
1 1 1 -15 8  9  o 453.713 17.687 558.507   43.023  585.920   52.931  505.132   73.857  463.467 21.302 424.287 32.721 39.18045       39.04418 
1 1 1 -15 8  11 o 270.288 18.215 199.313   26.241  203.930   32.344  190.421   44.886  272.228 22.359 259.070 33.071 13.15720       39.91962 
1 1 1 -15 8  13 o 242.720 19.257 161.390   24.853  180.179   30.950  127.277   41.703  255.469 22.838 208.524 38.728 46.94507       44.96050 
1 1 1 -15 8  15 o 330.990 18.152 299.009   32.089  330.848   39.534  237.525   54.938  347.054 21.351 287.074 36.522 59.98004       42.30511 
1 1 1 -15 8  17 o 192.708 19.375 102.401   19.747  110.462   23.535  83.230    36.294  199.316 22.413 166.201 40.989 33.11583       46.71630 
1 1 1 -15 8  19 o 126.837 29.452 46.887    19.644  49.513    23.659  41.057    35.247  129.455 33.744 122.099 43.151 7.355881       54.77857 
1 1 1 -15 8  21 o 120.545 26.752 42.178    16.838  46.421    19.084  27.271    35.771  125.983 28.873 109.500 42.528 16.48331       51.40329 
1 1 1 -15 8  23 o 129.696 38.692 51.363    28.944  51.363    28.944  0.0000    0.0000  129.696 38.692 ?       ?      0.000000       38.69230 
1 1 1 -15 8  25 o 103.056 28.717 31.563    16.458  21.288    18.553  69.519    35.659  88.836  31.316 146.773 42.727 -57.93692      52.97443 
1 1 1 -15 8  27 o 172.348 20.921 84.464    18.935  77.225    20.802  119.450   45.731  162.979 24.569 187.557 45.861 -24.57736      52.02812 
1 1 1 -15 8  29 o 265.066 22.893 201.973   32.214  276.634   53.562  159.663   40.321  299.051 34.013 226.395 34.293 72.65674       48.29991 
1 1 1 -15 8  31 o 265.977 23.403 205.233   33.033  243.319   41.632  140.505   54.274  285.731 27.517 192.184 51.592 93.54686       58.47118 
1 1 1 -15 8  33 o 81.573  35.665 6.0103    29.606  7.3190    34.938  2.6774    55.756  87.099  38.393 99.059  45.587 -11.96056      59.59998 
1 1 1 -15 8  35 o 72.928  32.828 -0.9171   26.970  37.055    37.265  -42.6838  39.082  105.241 42.580 68.472  33.319 36.76974       54.06633 
1 1 1 -15 8  37 o 116.627 47.644 63.065    47.195  68.121    62.321  56.266    72.263  115.953 51.186 110.822 51.317 5.130287       72.48067 
1 1 1 -15 9  2  o 179.433 15.597 87.858    14.855  86.618    22.015  88.894    20.129  176.083 23.941 179.135 21.381 -3.052094      32.09869 
1 1 1 -15 9  4  o 300.537 20.091 247.290   32.186  237.533   45.917  256.714   45.128  290.892 29.866 303.288 28.072 -12.39566      40.98790 
1 1 1 -15 9  6  o 360.725 16.490 352.776   31.892  386.024   39.576  291.202   53.858  375.951 19.704 321.579 31.649 54.37155       37.28118 
1 1 1 -15 9  8  o 250.127 21.997 172.357   29.198  212.636   40.826  130.182   41.776  275.853 27.992 211.226 38.300 64.62683       47.43932 
1 1 1 -15 9  10 o 197.667 20.841 107.816   21.753  122.073   27.164  82.327    36.321  209.327 24.679 166.203 41.013 43.12390       47.86510 
1 1 1 -15 9  12 o 140.019 23.639 55.246    17.113  77.835    20.123  -3.7956   32.532  166.930 23.104 85.171  37.309 81.75921       43.88309 
1 1 1 -15 9  14 o 337.060 17.516 309.838   31.543  309.838   31.543  0.0000    0.0000  337.060 17.516 ?       ?      0.000000       17.51574 
1 1 1 -15 9  16 o 298.535 21.698 245.928   34.490  245.928   34.490  0.0000    0.0000  298.535 21.698 ?       ?      0.000000       21.69756 
1 1 1 -15 9  18 o 225.597 25.160 142.900   29.913  142.900   29.913  0.0000    0.0000  225.597 25.160 ?       ?      0.000000       25.16036 
1 1 1 -15 9  20 o 123.874 29.881 45.116    19.616  49.261    23.589  35.825    35.316  128.548 33.784 116.403 42.917 12.14510       54.61920 
1 1 1 -15 9  22 o 222.305 23.524 139.331   27.611  172.317   34.692  82.334    45.603  245.771 26.761 159.037 48.811 86.73404       55.66565 
1 1 1 -15 9  24 f 81.333  32.840 11.540    22.118  16.263    29.388  5.3694    33.591  93.016  37.750 89.269  38.516 3.746254       53.93087 
1 1 1 -15 9  26 o 149.475 32.524 68.618    25.323  95.090    32.343  26.685    40.706  174.545 35.764 107.963 44.193 66.58229       56.85161 
1 1 1 -15 9  28 o 78.435  31.826 11.255    20.883  3.4277    24.931  29.659    38.228  76.606  33.117 107.332 43.231 -30.72612      54.45796 
1 1 1 -15 9  30 o 200.350 21.018 114.847   22.240  105.465   24.071  169.570   58.136  190.028 24.174 214.365 51.275 -24.33653      56.68756 
1 1 1 -15 9  32 o 229.712 28.114 159.762   33.902  165.936   41.026  146.471   60.199  227.740 34.697 187.595 55.763 40.14551       65.67688 
1 1 1 -15 9  34 o 102.403 40.899 33.095    33.900  27.886    39.753  46.979    64.902  100.749 42.636 116.773 51.856 -16.02380      67.13373 
1 1 1 -15 9  36 o 163.094 63.343 178.003   79.355  0.0000    0.0000  178.003   79.355  ?       ?      163.094 63.343 0.000000       63.34280 
1 1 1 -15 10 1  o 340.498 20.696 318.299   37.601  287.728   52.640  350.148   53.729  318.923 31.186 353.494 28.595 -34.57062      42.31091 
1 1 1 -15 10 3  o 130.982 34.055 50.227    24.138  50.227    24.138  0.0000    0.0000  130.982 34.055 ?       ?      0.000000       34.05527 
1 1 1 -15 10 5  o 417.501 14.586 471.797   32.649  524.008   47.672  425.674   44.806  438.027 20.300 393.893 21.296 44.13440       29.42148 
1 1 1 -15 10 7  o 450.858 21.053 555.913   50.890  584.723   72.890  528.515   71.083  456.953 29.918 433.819 30.762 23.13422       42.91123 
1 1 1 -15 10 9  o 165.983 21.173 76.518    18.412  61.914    30.421  84.960    23.129  144.503 38.553 173.728 25.600 -29.22537      46.27850 
1 1 1 -15 10 11 o 344.026 21.657 325.566   39.740  333.319   55.359  317.323   57.084  343.982 30.328 334.539 32.226 9.442566       44.25257 
1 1 1 -15 10 13 o 312.941 17.797 267.523   29.736  267.523   29.736  0.0000    0.0000  312.941 17.797 ?       ?      0.000000       17.79673 
1 1 1 -15 10 15 o 204.107 17.207 114.227   18.653  100.880   21.073  162.539   40.092  190.673 20.960 237.838 32.275 -47.16469      38.48425 
1 1 1 -15 10 17 o 243.044 24.091 165.238   30.978  165.238   30.978  0.0000    0.0000  243.044 24.091 ?       ?      0.000000       24.09108 
1 1 1 -15 10 19 o 211.658 22.530 125.425   25.173  132.186   30.638  111.380   44.160  215.360 27.138 188.549 44.416 26.81087       52.05097 
1 1 1 -15 10 21 o 181.139 21.617 92.311    20.578  95.697    23.314  80.371    43.783  183.366 24.315 157.090 47.753 26.27654       53.58652 
1 1 1 -15 10 23 o 101.246 31.299 30.323    18.712  20.230    21.645  60.184    37.228  89.879  33.507 136.777 44.390 -46.89856      55.61650 
1 1 1 -15 10 25 o 237.002 21.002 158.510   26.410  169.637   30.520  125.337   52.696  243.633 23.664 188.537 50.930 55.09552       56.15938 
1 1 1 -15 10 27 o 295.922 24.031 251.421   37.797  247.148   47.663  258.663   62.043  286.758 31.522 281.984 42.347 4.773621       52.79169 
1 1 1 -15 10 29 o 132.638 36.525 56.956    26.798  30.960    34.319  97.570    42.896  105.894 41.508 166.221 46.376 -60.32758      62.23927 
1 1 1 -15 10 31 o 164.381 28.308 82.283    24.047  82.283    24.047  0.0000    0.0000  164.381 28.308 ?       ?      0.000000       28.30752 
1 1 1 -15 10 33 o 161.602 39.148 91.130    33.560  83.724    40.708  106.842   59.292  146.750 46.293 152.366 55.695 -5.616119      72.42188 
1 1 1 -15 10 35 o 163.466 52.420 124.496   52.032  12.605    73.651  235.989   73.520  102.271 48.715 214.684 61.004 -112.4128      78.06793 
1 1 1 -15 11 2  o 247.453 15.392 166.780   20.319  172.627   29.077  161.200   28.406  249.776 21.935 241.208 22.215 8.567780       31.21976 
1 1 1 -15 11 4  o 268.141 18.777 197.065   26.823  195.244   32.681  200.824   46.953  265.373 23.204 264.387 33.906 0.9855957      41.08560 
1 1 1 -15 11 6  o 277.143 15.075 208.822   22.315  208.462   31.739  209.174   31.379  274.857 21.716 275.434 21.418 -0.5774841     30.50095 
1 1 1 -15 11 8  o 235.843 17.670 152.246   22.180  163.602   39.146  146.876   26.918  239.540 31.224 230.298 22.072 9.242722       38.23729 
1 1 1 -15 11 10 o 264.868 17.921 192.005   25.298  185.189   31.338  204.758   42.866  258.450 22.852 268.635 30.292 -10.18475      37.94493 
1 1 1 -15 11 12 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -15 11 14 o 188.346 26.171 100.501   25.713  127.324   37.731  77.244    35.134  208.408 35.010 159.250 40.928 49.15749       53.85913 
1 1 1 -15 11 16 o 195.595 20.659 106.407   21.336  119.603   26.029  79.387    37.246  206.248 23.988 160.130 42.630 46.11800       48.91532 
1 1 1 -15 11 18 o 261.581 16.767 187.852   23.390  193.300   26.931  171.125   47.189  264.435 19.125 238.380 38.215 26.05511       42.73310 
1 1 1 -15 11 20 o 159.670 22.896 72.500    19.039  66.710    22.190  88.659    37.068  150.776 28.494 167.502 41.492 -16.72563      50.33441 
1 1 1 -15 11 22 o 157.919 23.359 71.437    19.180  83.523    22.007  33.254    39.116  170.314 24.832 113.493 44.363 56.82123       50.83957 
1 1 1 -15 11 24 o 139.967 32.151 59.824    23.618  62.641    29.273  54.569    39.979  140.490 37.963 130.472 45.973 10.01804       59.62127 
1 1 1 -15 11 26 o 104.390 35.815 32.389    24.181  45.453    30.127  8.7369    40.538  120.036 39.980 96.517  41.976 23.51846       57.96894 
1 1 1 -15 11 28 o 122.079 34.246 47.105    23.325  28.246    27.233  99.027    45.187  100.361 37.552 166.848 47.961 -66.48740      60.91324 
1 1 1 -15 11 30 o 129.866 33.283 53.975    23.279  53.975    23.279  0.0000    0.0000  129.866 33.283 ?       ?      0.000000       33.28251 
1 1 1 -15 11 32 o 148.902 48.013 87.368    43.605  81.776    68.463  91.185    56.562  135.497 56.559 144.366 54.098 -8.869019      78.26528 
1 1 1 -15 11 34 o 133.369 47.174 75.662    42.134  21.015    52.602  173.482   70.379  99.561  45.230 178.089 61.101 -78.52849      76.02036 
1 1 1 -15 12 1  o 182.587 19.967 92.532    19.227  114.451   37.200  84.542    22.459  196.242 36.707 172.774 24.971 23.46796       44.39522 
1 1 1 -15 12 3  o 320.138 16.586 279.833   28.371  224.175   48.757  308.324   34.884  278.777 33.280 334.931 19.511 -56.15350      38.57757 
1 1 1 -15 12 5  o 372.332 17.537 378.100   35.007  395.675   59.246  368.673   43.392  373.885 29.804 365.130 22.272 8.754974       37.20655 
1 1 1 -15 12 7  o 427.708 30.913 519.115   70.409  0.0000    0.0000  519.115   70.409  ?       ?      427.708 30.913 0.000000       30.91306 
1 1 1 -15 12 9  o 299.503 17.714 245.625   28.317  300.219   48.192  216.835   34.996  326.421 27.802 279.049 23.614 47.37173       36.47717 
1 1 1 -15 12 11 o 170.104 21.890 80.989    19.500  74.606    24.655  91.654    31.866  160.393 29.767 175.954 35.012 -15.56049      45.95518 
1 1 1 -15 12 13 o 203.712 17.690 114.284   19.129  103.020   27.001  125.635   27.104  189.876 27.310 211.245 24.379 -21.36852      36.60823 
1 1 1 -15 12 15 o 135.081 33.533 54.661    24.172  50.938    28.458  64.303    45.798  129.628 38.295 143.993 49.292 -14.36452      62.41947 
1 1 1 -15 12 17 o 103.543 28.429 31.509    16.263  35.906    17.587  5.5566    42.730  110.208 29.271 99.495  43.183 10.71259       52.16853 
1 1 1 -15 12 19 o 163.931 23.155 76.498    19.784  87.728    22.308  35.120    42.822  175.201 24.413 117.857 46.314 57.34400       52.35416 
1 1 1 -15 12 21 o 45.771  22.504 -37.3407  19.257  -37.3407  19.257  0.0000    0.0000  45.771  22.504 ?       ?      0.000000       22.50429 
1 1 1 -15 12 23 o 87.199  31.902 19.591    19.460  22.888    22.780  10.686    37.433  93.538  34.471 96.079  41.041 -2.540756      53.59650 
1 1 1 -15 12 25 o 110.396 32.842 37.231    20.875  38.702    23.866  32.442    43.067  112.270 35.449 113.624 45.843 -1.354019      57.95054 
1 1 1 -15 12 27 f 321.660 19.554 290.614   33.561  268.131   39.268  351.549   64.647  305.273 24.191 335.972 36.476 -30.69839      43.76857 
1 1 1 -15 12 29 o 149.703 51.982 86.600    51.014  86.600    51.014  0.0000    0.0000  149.703 51.982 ?       ?      0.000000       51.98248 
1 1 1 -15 12 31 o 129.499 49.299 65.174    47.402  111.914   70.169  25.941    64.288  152.252 59.443 111.143 50.297 41.10902       77.86699 
1 1 1 -15 13 2  o 155.681 21.163 68.049    17.206  56.940    21.848  86.190    27.919  139.124 30.161 171.377 31.549 -32.25356      43.64660 
1 1 1 -15 13 4  o 217.967 16.383 130.309   19.005  125.368   28.247  134.396   25.688  210.415 25.565 219.371 22.144 -8.956375      33.82232 
1 1 1 -15 13 6  o 168.461 21.667 79.566    19.115  83.676    32.527  77.398    23.626  166.426 37.370 163.851 27.894 2.574539       46.63207 
1 1 1 -15 13 8  o 222.166 17.404 135.727   20.564  106.457   30.752  159.401   27.657  191.305 31.048 239.231 21.803 -47.92598      37.93826 
1 1 1 -15 13 10 o 125.698 26.041 45.751    16.972  40.992    22.440  52.112    25.943  117.519 33.804 131.533 35.821 -14.01360      49.25319 
1 1 1 -15 13 12 o 140.080 26.023 56.623    18.824  54.543    29.493  58.052    24.453  133.731 38.837 139.318 33.208 -5.587006      51.09887 
1 1 1 -15 13 14 o 332.374 18.150 304.150   32.221  288.252   40.869  330.262   52.376  320.434 23.963 339.604 29.046 -19.17050      37.65527 
1 1 1 -15 13 16 o 123.449 27.803 44.818    17.959  48.825    19.504  22.483    46.043  128.557 28.990 112.062 46.546 16.49495       54.83563 
1 1 1 -15 13 18 o 247.003 22.890 171.762   29.968  162.188   34.469  201.408   60.652  237.443 27.591 250.347 46.913 -12.90430      54.42513 
1 1 1 -15 13 20 o 262.639 18.700 191.290   26.160  177.201   28.895  255.327   61.601  251.311 21.657 286.875 41.238 -35.56358      46.57869 
1 1 1 -15 13 22 o 184.427 24.385 97.493    23.520  86.279    25.522  160.671   60.577  171.186 28.833 215.403 52.852 -44.21672      60.20481 
1 1 1 -15 13 24 o 166.204 29.578 82.363    25.390  78.698    27.723  101.429   63.235  160.285 33.347 164.758 57.838 -4.473465      66.76228 
1 1 1 -15 13 26 o 195.699 25.182 111.519   25.808  101.930   27.800  171.317   69.424  184.654 29.040 208.650 59.277 -23.99619      66.00829 
1 1 1 -15 13 28 o 203.418 48.946 150.378   52.733  150.378   52.733  0.0000    0.0000  203.418 48.946 ?       ?      0.000000       48.94650 
1 1 1 -15 13 30 o 275.602 35.138 245.799   50.738  274.980   62.357  188.631   87.279  280.827 42.767 185.104 67.586 95.72351       79.98034 
1 1 1 -15 14 1  o 184.903 21.144 95.697    20.584  131.454   27.733  51.836    30.715  215.666 24.415 130.409 40.065 85.25665       46.91801 
1 1 1 -15 14 3  o 181.832 18.746 91.716    18.012  102.030   27.908  84.352    23.581  187.976 28.594 171.476 26.505 16.49928       38.98856 
1 1 1 -15 14 5  o 107.124 26.053 33.432    14.819  46.409    26.633  27.613    17.835  124.251 37.127 98.090  30.595 26.16088       48.10857 
1 1 1 -15 14 7  o 111.854 30.840 36.926    19.092  44.225    24.345  25.268    30.769  121.563 35.279 103.493 39.642 18.07006       53.06726 
1 1 1 -15 14 9  o 158.633 33.821 75.151    27.885  75.151    27.885  0.0000    0.0000  158.633 33.821 ?       ?      0.000000       33.82089 
1 1 1 -15 14 11 o 196.756 29.581 112.182   30.238  148.499   47.072  86.665    39.456  219.766 41.472 165.770 43.755 53.99622       60.28592 
1 1 1 -15 14 13 o 203.236 23.139 116.335   24.763  156.827   30.680  40.640    41.947  235.597 24.654 122.887 46.472 112.7096       52.60729 
1 1 1 -15 14 15 o 298.818 19.525 247.158   31.109  276.648   62.366  237.390   35.893  302.487 39.391 290.953 23.203 11.53384       45.71712 
1 1 1 -15 14 17 o 359.529 16.605 353.987   32.006  378.135   37.327  286.927   62.203  370.008 18.879 308.236 38.479 61.77231       42.86098 
1 1 1 -15 14 19 o 150.730 28.170 66.630    21.927  53.826    25.810  99.847    41.570  132.478 35.583 176.104 44.120 -43.62640      56.68158 
1 1 1 -15 14 21 o 293.791 18.221 239.171   28.558  242.860   32.155  225.393   62.138  294.810 20.471 264.378 45.479 30.43207       49.87389 
1 1 1 -15 14 23 o 221.615 34.770 149.930   39.952  129.948   50.152  184.635   66.094  195.175 48.211 226.734 54.947 -31.55966      73.09940 
1 1 1 -15 14 25 o 231.577 31.886 162.527   38.538  158.787   45.448  172.101   72.709  222.290 39.586 205.946 61.299 16.34366       72.97018 
1 1 1 -15 14 27 o 242.614 65.249 258.173   86.717  258.173   86.717  0.0000    0.0000  242.614 65.249 ?       ?      0.000000       65.24894 
1 1 1 -15 15 2  o 272.894 16.458 204.137   23.967  225.044   38.420  190.819   30.664  282.261 25.669 261.512 22.077 20.74884       33.85713 
1 1 1 -15 15 4  o 193.850 19.345 104.279   19.836  117.140   35.040  98.214    24.063  199.047 34.060 186.096 24.730 12.95079       42.09120 
1 1 1 -15 15 6  o 376.805 15.350 386.775   31.010  459.113   46.069  326.845   41.932  407.111 21.180 342.329 22.980 64.78134       31.25202 
1 1 1 -15 15 8  o 217.488 22.192 132.307   25.514  102.041   33.249  175.656   39.791  185.165 34.769 246.536 30.775 -61.37103      46.43294 
1 1 1 -15 15 10 o 312.898 16.356 268.047   27.343  284.165   41.564  255.750   36.306  318.113 24.560 302.803 22.525 15.31021       33.32551 
1 1 1 -15 15 12 o 218.417 18.747 131.983   21.740  159.513   34.951  114.608   27.766  235.938 28.189 200.327 26.503 35.61079       38.69110 
1 1 1 -15 15 14 o 436.172 15.448 519.031   36.123  607.321   52.414  439.156   49.854  468.456 20.869 396.027 23.587 72.42908       31.49417 
1 1 1 -15 15 16 o 182.508 20.451 93.244    19.667  108.168   30.370  82.465    25.810  192.138 30.501 167.619 29.814 24.51912       42.65177 
1 1 1 -15 15 18 o 323.732 20.779 292.234   35.874  292.234   35.874  0.0000    0.0000  323.732 20.779 ?       ?      0.000000       20.77883 
1 1 1 -15 15 20 o 185.106 31.740 102.424   30.366  117.870   40.476  82.539    45.925  193.089 40.397 156.091 49.162 36.99786       63.63076 
1 1 1 -15 15 22 o 268.327 29.561 212.276   41.820  201.512   60.367  222.210   57.991  244.831 47.704 262.628 42.649 -17.79700      63.98948 
1 1 1 -15 15 24 o 157.593 38.804 80.961    32.568  95.457    43.613  62.688    48.966  164.725 47.047 134.780 50.368 29.94450       68.92290 
1 1 1 -15 15 26 o 131.258 57.991 56.395    80.162  56.395    80.162  0.0000    0.0000  131.258 57.991 ?       ?      0.000000       57.99126 
1 1 1 -15 16 1  o 225.948 18.144 141.058   21.794  147.047   37.257  137.943   26.870  224.104 31.910 221.467 22.964 2.636658       39.31442 
1 1 1 -15 16 3  o 191.342 19.720 101.883   19.940  139.983   39.132  88.521    23.174  217.166 34.784 176.150 25.262 41.01576       42.98942 
1 1 1 -15 16 5  o 87.488  27.719 21.548    14.582  17.315    25.532  23.597    17.765  91.462  35.816 92.243  30.700 -0.7807846     47.17267 
1 1 1 -15 16 7  o 110.524 30.531 36.055    18.690  62.333    24.678  0.7026    28.623  144.577 32.614 81.583  35.376 62.99368       48.11563 
1 1 1 -15 16 9  o 211.629 18.766 123.997   21.072  142.948   30.730  107.179   28.949  224.213 26.050 192.473 28.950 31.74001       38.94488 
1 1 1 -15 16 11 o 244.236 18.569 164.864   24.132  157.957   35.572  170.753   32.847  234.133 28.956 245.497 25.320 -11.36386      38.46470 
1 1 1 -15 16 13 o 206.622 22.695 120.239   24.726  111.586   58.183  122.147   27.316  180.276 55.102 207.187 25.103 -26.91063      60.55067 
1 1 1 -15 16 15 o 214.219 22.730 129.453   25.706  75.618    54.569  144.807   29.142  151.440 53.673 225.827 24.461 -74.38712      58.98430 
1 1 1 -15 16 17 o 99.905  40.294 20.453    33.259  11.783    61.762  23.994    39.470  115.588 50.994 107.193 43.656 8.395264       67.12808 
1 1 1 -15 16 19 o 188.449 30.927 105.926   30.162  91.690    39.100  126.847   47.399  167.326 43.265 195.444 46.000 -28.11888      63.14979 
1 1 1 -15 16 21 o 99.363  39.186 23.982    30.757  65.622    44.296  -14.7851  42.740  138.881 48.427 86.793  39.931 52.08817       62.76660 
1 1 1 -15 17 2  o 50.079  23.379 -13.3812  15.480  0.0000    0.0000  -13.3812  15.480  ?       ?      50.079  23.379 0.000000       23.37898 
1 1 1 -15 17 4  o 108.040 29.904 34.580    17.910  2.9821    48.492  39.571    19.273  102.961 45.315 115.223 30.661 -12.26117      54.71288 
1 1 1 -15 17 6  o 108.637 33.599 34.855    21.561  50.742    52.035  31.562    23.690  133.670 51.467 105.091 35.454 28.57896       62.49643 
1 1 1 -15 17 8  o 69.494  29.478 2.8224    19.074  -31.4879  52.397  8.0636    20.479  92.057  42.989 76.440  31.324 15.61767       53.19028 
1 1 1 -15 17 10 o 80.768  33.211 9.1424    23.119  0.0000    0.0000  9.1424    23.119  ?       ?      80.768  33.211 0.000000       33.21086 
1 1 1 -15 17 12 o 247.559 22.400 172.368   29.409  191.353   69.408  168.214   32.467  234.857 55.925 242.998 25.292 -8.141113      61.37843 
1 1 1 -15 17 14 o 184.982 53.817 119.737   56.588  119.737   56.588  0.0000    0.0000  184.982 53.817 ?       ?      0.000000       53.81727 
1 1 1 -15 17 16 o 226.922 33.290 154.630   39.297  97.505    63.841  189.477   49.862  163.561 58.045 246.970 38.948 -83.40878      69.90148 
1 1 1 -15 18 5  o 221.561 31.674 145.309   36.553  167.818   64.327  134.575   44.422  219.003 54.893 206.347 41.590 12.65576       68.86914 
1 1 1 -15 18 7  o 186.175 35.253 105.485   33.899  112.281   67.658  103.207   39.170  174.813 59.911 180.197 41.413 -5.384109      72.83114 
1 1 1 -14 0  2  o 344.313 20.734 322.269   37.956  322.269   37.956  322.269   37.956  344.313 20.734 344.313 20.734 0.000000       0.000000 
1 1 1 -14 0  4  o 434.536 20.811 511.263   48.230  511.263   48.230  511.263   48.230  434.536 20.811 434.536 20.811 0.000000       0.000000 
1 1 1 -14 0  6  o 690.778 23.072 1288.46   85.232  1288.46   85.232  1288.46   85.232  690.778 23.072 690.778 23.072 0.000000       0.000000 
1 1 1 -14 0  8  o 403.373 29.639 446.016   63.302  446.016   63.302  446.016   63.302  403.373 29.639 403.373 29.639 0.000000       0.000000 
1 1 1 -14 0  10 o 197.956 24.513 110.238   24.943  110.238   24.943  110.238   24.943  197.956 24.513 197.956 24.513 0.000000       0.000000 
1 1 1 -14 0  12 o 441.687 21.008 528.403   49.491  528.403   49.491  528.403   49.491  441.687 21.008 441.687 21.008 0.000000       0.000000 
1 1 1 -14 0  14 o 229.677 22.415 146.030   26.998  146.030   26.998  146.030   26.998  229.677 22.415 229.677 22.415 0.000000       0.000000 
1 1 1 -14 0  16 o 468.029 20.966 593.415   52.368  593.415   52.368  593.415   52.368  468.029 20.966 468.029 20.966 0.000000       0.000000 
1 1 1 -14 0  18 o 233.868 36.029 158.780   41.985  158.780   41.985  158.780   41.985  233.868 36.029 233.868 36.029 0.000000       0.000000 
1 1 1 -14 0  20 o 456.515 22.081 566.778   53.755  566.778   53.755  566.778   53.755  456.515 22.081 456.515 22.081 0.000000       0.000000 
1 1 1 -14 0  22 o 47.494  33.172 -29.1111  30.992  -29.1111  30.992  -29.1111  30.992  47.494  33.172 47.494  33.172 0.000000       0.000000 
1 1 1 -14 0  24 o 167.525 35.433 86.246    27.996  86.246    27.996  86.246    27.996  167.525 35.433 167.525 35.433 0.000000       0.000000 
1 1 1 -14 0  26 o 59.583  37.650 5.2373    25.699  5.2373    25.699  5.2373    25.699  59.583  37.650 59.583  37.650 0.000000       0.000000 
1 1 1 -14 0  28 o 367.166 22.534 371.066   43.975  371.066   43.975  371.066   43.975  367.166 22.534 367.166 22.534 0.000000       0.000000 
1 1 1 -14 0  30 o 351.980 23.438 342.957   43.778  342.957   43.778  342.957   43.778  351.980 23.438 351.980 23.438 0.000000       0.000000 
1 1 1 -14 0  32 o 88.404  53.278 28.823    45.946  28.823    45.946  28.823    45.946  88.404  53.278 88.404  53.278 0.000000       0.000000 
1 1 1 -14 0  34 o 95.404  48.464 40.590    31.019  40.590    31.019  40.590    31.019  95.404  48.464 95.404  48.464 0.000000       0.000000 
1 1 1 -14 0  36 o 156.705 57.820 99.376    44.997  99.376    44.997  99.376    44.997  156.705 57.820 156.705 57.820 0.000000       0.000000 
1 1 1 -14 0  38 o 58.351  38.520 -1.4479   31.120  -1.4479   31.120  -1.4479   31.120  58.351  38.520 58.351  38.520 0.000000       0.000000 
1 1 1 -14 0  40 o 80.824  54.605 -1.5240   69.196  -1.5240   69.196  -1.5240   69.196  80.824  54.605 80.824  54.605 0.000000       0.000000 
1 1 1 -14 0  42 o 91.896  61.056 28.076    80.234  28.076    80.234  28.076    80.234  91.896  61.056 91.896  61.056 0.000000       0.000000 
1 1 1 -14 1  1  o 387.904 16.454 404.938   34.220  386.186   41.704  443.585   59.869  377.837 20.666 403.603 27.838 -25.76532      34.67039 
1 1 1 -14 1  3  o 228.259 18.384 141.214   22.307  127.110   27.283  169.656   38.743  215.599 24.011 248.369 29.684 -32.76981      38.17904 
1 1 1 -14 1  5  o 174.935 24.605 84.285    22.439  73.368    33.636  93.040    30.121  160.638 39.363 182.488 31.951 -21.85019      50.69870 
1 1 1 -14 1  7  o 529.697 17.461 755.243   49.586  754.159   60.899  757.375   85.416  528.758 21.482 527.419 30.335 1.338867       37.17146 
1 1 1 -14 1  9  o 123.548 27.200 42.931    17.529  42.913    25.495  42.947    24.140  124.144 36.125 123.836 34.875 0.3078690      50.21223 
1 1 1 -14 1  11 o 336.882 14.768 305.206   26.673  299.039   37.868  311.279   37.575  332.205 21.375 339.061 20.771 -6.856354      29.80451 
1 1 1 -14 1  13 o 293.926 15.040 233.043   23.622  258.153   33.677  208.724   33.142  308.612 20.470 277.009 22.510 31.60297       30.42594 
1 1 1 -14 1  15 o 329.429 20.861 294.415   36.653  325.601   52.398  264.533   51.291  344.769 28.606 309.833 31.307 34.93567       42.40803 
1 1 1 -14 1  17 o 277.087 18.305 208.261   27.040  199.553   47.386  212.465   32.926  267.446 33.803 279.123 22.186 -11.67685      40.43312 
1 1 1 -14 1  19 o 396.893 17.996 426.183   38.293  416.831   46.067  447.092   68.882  391.017 22.065 401.267 32.292 -10.25015      39.11044 
1 1 1 -14 1  21 f 453.650 22.263 561.581   54.148  632.134   76.051  489.046   77.112  477.105 29.883 416.803 34.827 60.30127       45.89019 
1 1 1 -14 1  23 o 457.157 18.131 568.656   44.438  523.003   76.870  591.571   54.461  429.619 33.642 464.720 21.859 -35.10159      40.11975 
1 1 1 -14 1  25 o 108.955 28.796 34.495    17.075  21.314    22.782  51.388    25.792  93.862  34.491 131.522 35.675 -37.66012      49.62163 
1 1 1 -14 1  27 o 78.157  30.287 12.293    18.111  -2.3239   22.495  39.225    30.535  70.916  31.045 116.996 40.240 -46.07998      50.82415 
1 1 1 -14 1  29 o 152.793 24.284 67.037    19.227  99.355    26.752  32.505    27.653  184.939 27.845 107.510 38.197 77.42899       47.26884 
1 1 1 -14 1  31 o 161.366 37.589 82.702    31.915  38.665    42.392  140.321   48.491  117.382 46.096 204.953 45.332 -87.57101      64.65153 
1 1 1 -14 1  33 o 127.070 30.577 50.599    20.578  61.434    28.974  39.569    29.233  135.384 38.236 110.859 39.285 24.52483       54.82047 
1 1 1 -14 1  35 o 188.066 24.757 106.256   24.356  104.914   34.453  107.597   34.436  175.016 37.821 177.856 37.304 -2.840286      53.12308 
1 1 1 -14 1  37 f 126.005 34.929 55.043    24.416  45.029    35.863  63.695    33.333  110.509 42.677 128.869 42.012 -18.35995      59.88597 
1 1 1 -14 1  39 o 59.060  28.184 -19.8147  24.892  12.347    36.593  -47.5121  33.959  85.610  38.413 60.192  29.650 25.41795       48.52500 
1 1 1 -14 1  41 o 89.270  42.036 19.779    51.913  16.246    74.100  23.185    72.749  92.416  45.168 93.688  45.559 -1.271660      64.15400 
1 1 1 -14 1  43 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -14 2  2  o 173.728 19.458 82.348    17.812  61.286    31.587  92.168    21.568  147.022 39.313 183.430 22.397 -36.40802      45.24503 
1 1 1 -14 2  4  o 97.582  30.466 25.667    17.680  25.667    17.680  0.0000    0.0000  97.582  30.466 ?       ?      0.000000       30.46585 
1 1 1 -14 2  6  o 88.926  23.704 22.107    11.506  13.128    14.037  40.504    20.091  75.737  27.181 119.900 31.019 -44.16257      41.24275 
1 1 1 -14 2  8  o 225.820 17.645 138.123   21.193  159.433   26.714  101.937   34.811  242.269 20.768 190.424 35.400 51.84476       41.04222 
1 1 1 -14 2  10 o 256.043 17.539 177.350   23.931  156.459   28.533  226.908   43.947  239.674 22.467 287.795 28.872 -48.12097      36.58340 
1 1 1 -14 2  12 o 556.934 18.076 835.802   53.973  825.483   92.596  841.112   66.424  549.718 31.550 557.965 22.205 -8.246826      38.58074 
1 1 1 -14 2  14 o 889.276 21.727 2137.81   103.587 2235.55   179.429 2088.96   126.864 902.162 37.097 877.065 26.979 25.09656       45.87011 
1 1 1 -14 2  16 o 791.930 20.514 1696.27   87.099  1780.16   106.661 1528.36   150.897 809.713 24.570 742.833 38.017 66.87994       45.26543 
1 1 1 -14 2  18 o 344.079 17.516 320.750   32.206  267.317   38.700  441.116   58.084  312.730 23.248 400.883 27.186 -88.15253      35.77057 
1 1 1 -14 2  20 o 162.381 30.248 74.983    25.364  78.161    33.178  70.515    39.346  163.682 38.459 154.991 44.813 8.691544       59.05386 
1 1 1 -14 2  22 o 221.514 24.267 136.262   28.348  142.047   43.060  131.835   37.661  221.152 37.667 214.425 33.886 6.726746       50.66615 
1 1 1 -14 2  24 o 114.573 27.496 37.954    16.675  29.628    21.782  49.742    25.916  103.398 33.974 129.808 35.987 -26.40968      49.49051 
1 1 1 -14 2  26 o 60.696  27.622 -10.3838  19.726  4.5743    27.013  -27.4718  28.873  82.726  35.085 66.496  31.323 16.22980       47.03350 
1 1 1 -14 2  28 o 117.291 30.204 40.903    19.108  54.576    26.061  25.008    28.099  133.832 35.673 100.693 38.046 33.13817       52.15405 
1 1 1 -14 2  30 o 77.808  32.197 8.2336    21.913  -56.2982  37.294  42.262    27.081  66.400  32.363 117.316 37.838 -50.91522      49.79063 
1 1 1 -14 2  32 o 110.462 36.410 38.336    25.010  51.194    42.378  31.464    30.981  124.681 46.806 104.878 39.872 19.80282       61.48600 
1 1 1 -14 2  34 o 76.064  31.365 10.689    20.693  -2.3563   28.944  24.327    29.594  75.591  34.020 95.102  38.131 -19.51160      51.10130 
1 1 1 -14 2  36 o 106.688 38.171 39.297    27.662  53.642    41.216  27.540    37.315  118.164 45.718 98.868  41.545 19.29589       61.77465 
1 1 1 -14 2  38 o 64.886  29.670 -5.2494   23.106  27.581    34.000  -33.4210  31.496  95.332  39.831 62.428  30.270 32.90448       50.02762 
1 1 1 -14 2  40 o 156.997 53.619 135.274   54.191  36.144    75.591  240.096   77.730  101.167 48.503 187.630 64.217 -86.46283      80.47536 
1 1 1 -14 2  42 o 68.667  34.217 -46.3008  50.360  12.194    76.248  -91.5601  67.070  87.069  43.170 69.836  35.392 17.23254       55.82354 
1 1 1 -14 3  1  o 327.127 19.838 289.673   34.628  329.543   49.287  250.806   48.663  347.703 26.642 302.227 30.447 45.47543       40.45775 
1 1 1 -14 3  3  o 122.074 20.243 41.243    12.785  38.683    15.198  47.437    23.642  117.405 24.917 129.557 33.713 -12.15258      41.92142 
1 1 1 -14 3  5  o 463.076 16.558 577.118   41.108  577.118   41.108  0.0000    0.0000  463.076 16.558 ?       ?      0.000000       16.55789 
1 1 1 -14 3  7  o 444.793 14.585 531.983   34.779  524.006   40.014  556.627   70.334  441.212 16.916 451.988 29.181 -10.77649      33.72912 
1 1 1 -14 3  9  o 346.004 14.618 321.957   27.116  309.627   30.995  362.177   55.979  338.685 17.125 364.186 28.908 -25.50082      33.59998 
1 1 1 -14 3  11 o 416.624 21.214 469.845   47.228  472.876   65.510  466.564   68.149  416.091 29.558 412.905 31.011 3.185822       42.84159 
1 1 1 -14 3  13 o 527.805 21.933 753.171   62.065  778.942   87.270  726.798   88.284  533.778 30.623 515.037 32.132 18.74133       44.38794 
1 1 1 -14 3  15 o 204.664 18.084 113.915   19.639  132.749   26.429  90.693    29.346  220.220 22.710 179.578 31.636 40.64238       38.94390 
1 1 1 -14 3  17 o 313.026 17.661 265.568   29.518  248.925   35.955  299.975   51.697  302.019 22.364 329.644 29.566 -27.62531      37.07165 
1 1 1 -14 3  19 o 257.133 23.253 181.656   31.709  181.656   31.709  0.0000    0.0000  257.133 23.253 ?       ?      0.000000       23.25305 
1 1 1 -14 3  21 o 93.717  29.770 24.096    16.812  30.394    27.985  20.539    21.030  108.874 38.453 92.248  33.252 16.62547       50.83650 
1 1 1 -14 3  23 o 241.324 16.736 158.955   21.520  147.335   28.822  173.596   32.351  230.221 23.689 249.795 24.471 -19.57329      34.05863 
1 1 1 -14 3  25 o 81.586  30.770 14.651    18.358  13.642    29.129  15.316    23.644  92.682  37.594 88.244  34.491 4.437935       51.01923 
1 1 1 -14 3  27 o 154.246 33.591 71.148    26.991  72.536    39.014  69.874    37.381  151.530 44.857 149.131 43.842 2.399109       62.72423 
1 1 1 -14 3  29 o 177.464 22.249 89.239    20.703  87.644    28.320  91.069    30.342  171.180 32.035 173.594 33.818 -2.413620      46.58209 
1 1 1 -14 3  31 o 94.568  38.051 19.558    29.582  47.075    39.761  -14.5588  44.272  122.558 45.469 88.159  40.589 34.39868       60.95011 
1 1 1 -14 3  33 o 114.484 32.707 42.022    21.075  14.915    28.504  74.707    31.300  87.679  36.538 148.533 38.859 -60.85444      53.33865 
1 1 1 -14 3  35 o 236.901 25.192 168.643   31.505  138.919   50.353  187.766   40.387  186.732 49.496 242.739 31.798 -56.00618      58.83017 
1 1 1 -14 3  37 o 88.409  34.698 22.769    24.007  33.089    33.002  11.172    34.986  100.553 40.285 86.556  38.273 13.99694       55.56676 
1 1 1 -14 3  39 o 193.041 31.484 125.132   31.461  91.061    42.872  164.891   46.312  140.762 47.693 203.983 43.666 -63.22092      64.66332 
1 1 1 -14 3  41 o 100.775 45.299 51.552    51.141  40.357    76.053  60.792    69.094  96.788  46.954 102.051 48.189 -5.263130      67.28201 
1 1 1 -14 4  2  o 497.482 14.762 665.800   39.371  656.756   55.156  675.196   56.218  493.217 20.859 500.074 20.968 -6.857666      29.57633 
1 1 1 -14 4  4  o 390.169 14.580 409.443   30.498  407.847   35.095  414.364   61.637  389.194 16.819 389.376 29.751 -0.1816406     34.17612 
1 1 1 -14 4  6  o 140.692 20.380 54.492    14.925  54.492    14.925  0.0000    0.0000  140.692 20.380 ?       ?      0.000000       20.38047 
1 1 1 -14 4  8  o 158.790 21.746 69.336    18.027  76.339    21.383  52.132    33.515  166.184 24.756 137.108 41.802 29.07619       48.58237 
1 1 1 -14 4  10 o 444.243 21.445 533.129   51.076  550.396   71.070  514.684   73.453  448.864 29.700 433.387 31.835 15.47653       43.53845 
1 1 1 -14 4  12 o 189.699 22.088 98.610    22.043  90.049    25.438  124.423   44.171  180.130 27.186 208.910 40.901 -28.78029      49.11208 
1 1 1 -14 4  14 o 407.649 14.748 447.527   32.232  427.841   36.502  517.205   68.673  398.267 17.095 434.242 29.675 -35.97513      34.24701 
1 1 1 -14 4  16 o 440.390 17.426 523.903   41.144  509.758   49.724  554.615   73.267  433.564 21.392 448.568 30.649 -15.00443      37.37593 
1 1 1 -14 4  18 o 154.408 24.483 66.598    19.591  60.295    22.300  87.924    41.015  145.547 29.586 172.759 44.125 -27.21251      53.12538 
1 1 1 -14 4  20 o 185.920 18.577 94.769    18.270  97.619    24.614  91.273    27.263  187.035 25.186 179.511 29.342 7.523727       38.66905 
1 1 1 -14 4  22 o 339.424 18.554 314.623   33.637  331.816   55.096  304.408   42.470  343.508 30.224 331.791 24.038 11.71625       38.61789 
1 1 1 -14 4  24 o 70.642  29.089 5.4312    17.769  -17.2326  26.903  22.967    23.664  68.818  31.668 96.490  35.198 -27.67250      47.34740 
1 1 1 -14 4  26 o 97.986  30.891 27.396    18.128  40.508    20.666  -16.3724  37.758  116.964 32.020 83.470  38.074 33.49404       49.74854 
1 1 1 -14 4  28 o 279.372 17.154 214.958   25.570  190.029   35.202  242.801   37.203  258.315 25.762 293.426 23.855 -35.11066      35.11053 
1 1 1 -14 4  30 o 99.411  34.029 28.654    21.827  27.479    25.285  32.090    43.243  99.736  36.383 113.657 45.909 -13.92104      58.57780 
1 1 1 -14 4  32 o 159.520 27.287 76.455    22.498  79.749    31.347  72.955    32.310  155.582 37.925 147.148 39.935 8.433685       55.07370 
1 1 1 -14 4  34 o 99.584  33.888 31.655    21.645  23.099    29.459  41.694    31.909  93.714  37.879 110.999 40.814 -17.28539      55.68303 
1 1 1 -14 4  36 o 77.181  36.596 -21.2329  40.633  0.0000    0.0000  -21.2329  40.633  ?       ?      77.181  36.596 0.000000       36.59594 
1 1 1 -14 4  38 o 140.983 41.550 77.448    33.537  17.942    59.624  104.988   40.562  99.128  46.145 160.396 45.220 -61.26794      64.60789 
1 1 1 -14 4  40 o 80.838  38.714 -7.7407   47.867  40.059    67.581  -55.8596  67.806  100.342 47.466 79.602  39.672 20.74066       61.86198 
1 1 1 -14 4  42 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -14 5  1  o 232.609 14.613 146.204   18.131  148.831   24.904  143.241   26.448  233.887 20.055 229.111 21.794 4.775604       29.61711 
1 1 1 -14 5  3  o 281.327 16.879 213.995   25.340  236.570   30.765  166.370   44.685  295.430 19.534 244.109 35.157 51.32152       40.21952 
1 1 1 -14 5  5  o 54.388  23.326 -0.6945   12.181  -0.6945   12.181  0.0000    0.0000  54.388  23.326 ?       ?      0.000000       23.32611 
1 1 1 -14 5  7  o 302.853 17.270 247.943   27.925  254.840   32.968  230.433   52.534  306.589 20.170 288.234 34.693 18.35504       40.12973 
1 1 1 -14 5  9  f 370.142 21.360 371.514   42.209  363.289   56.939  381.546   62.887  364.147 29.416 372.581 31.786 -8.432953      43.30934 
1 1 1 -14 5  11 o 874.292 21.604 2068.12   101.267 2034.65   123.756 2135.94   176.172 865.098 26.683 880.497 37.320 -15.39984      45.87737 
1 1 1 -14 5  13 o 521.833 15.335 733.822   42.902  748.454   49.448  689.271   86.282  526.588 17.515 500.265 32.343 26.32336       36.78085 
1 1 1 -14 5  15 o 97.850  28.066 26.823    15.488  15.927    18.209  55.335    29.455  84.247  30.854 138.820 38.320 -54.57214      49.19718 
1 1 1 -14 5  17 o 152.260 19.327 63.840    15.422  57.824    17.288  87.278    34.124  143.941 23.190 173.532 37.752 -29.59143      44.30523 
1 1 1 -14 5  19 o 298.859 16.367 242.538   26.125  263.435   36.411  220.363   37.507  309.924 22.057 282.378 25.034 27.54568       33.36496 
1 1 1 -14 5  21 o 152.655 26.803 66.182    21.136  43.769    33.451  81.077    27.269  125.189 42.130 167.818 31.464 -42.62902      52.58289 
1 1 1 -14 5  23 o 115.411 31.761 38.854    20.271  33.630    30.427  43.022    27.182  112.604 40.061 121.572 37.746 -8.967781      55.04222 
1 1 1 -14 5  25 o 148.742 23.362 62.690    18.016  71.334    23.481  50.318    28.091  156.819 28.996 129.414 37.995 27.40474       47.79510 
1 1 1 -14 5  27 o 53.492  25.008 -15.5856  17.813  -20.1558  21.257  -4.8095   32.641  57.308  26.959 82.830  36.779 -25.52176      45.60181 
1 1 1 -14 5  29 o 102.247 34.166 30.568    21.998  22.180    25.572  54.440    43.142  94.877  36.188 131.475 47.591 -36.59800      59.78699 
1 1 1 -14 5  31 f 97.469  35.810 26.977    24.557  3.4889    45.238  36.790    29.241  96.126  42.950 109.463 39.237 -13.33679      58.17423 
1 1 1 -14 5  33 o 149.714 29.349 69.610    22.716  58.303    31.451  81.939    32.843  129.195 40.683 154.471 39.502 -25.27528      56.70560 
1 1 1 -14 5  35 o 187.777 37.076 119.190   36.001  103.936   48.858  137.312   53.252  157.707 50.819 181.799 52.009 -24.09210      72.71514 
1 1 1 -14 5  37 o 119.790 37.355 51.601    26.588  31.414    35.649  76.910    39.916  99.719  41.149 136.580 46.021 -36.86137      61.73492 
1 1 1 -14 5  39 o 87.830  40.435 11.502    43.925  -22.2699  59.623  51.587    64.957  84.582  41.157 107.507 49.374 -22.92499      64.27869 
1 1 1 -14 5  41 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -14 6  2  o 388.565 16.252 407.052   33.857  404.997   41.616  411.076   58.226  386.480 20.154 387.285 28.237 -0.8057861     34.69156 
1 1 1 -14 6  4  o 243.070 14.679 159.657   19.040  144.422   26.105  176.973   27.831  230.062 21.410 255.033 20.528 -24.97069      29.66139 
1 1 1 -14 6  6  o 561.614 21.820 853.708   65.700  853.708   65.700  0.0000    0.0000  561.614 21.820 ?       ?      0.000000       21.82018 
1 1 1 -14 6  8  o 203.096 16.512 111.924   17.824  117.302   20.502  95.274    36.073  207.620 18.616 182.597 38.081 25.02275       42.38782 
1 1 1 -14 6  10 o 201.474 15.885 110.093   17.019  104.735   19.431  127.746   35.270  196.027 18.716 213.751 31.741 -17.72359      36.84817 
1 1 1 -14 6  12 o 155.932 21.737 67.162    17.678  69.391    21.228  62.119    31.931  157.602 26.032 146.894 39.630 10.70789       47.41562 
1 1 1 -14 6  14 o 233.301 19.616 148.477   24.308  176.642   31.253  105.354   38.672  253.785 23.227 191.069 39.070 62.71576       45.45282 
1 1 1 -14 6  16 o 364.340 17.574 359.397   34.329  359.397   34.329  0.0000    0.0000  364.340 17.574 ?       ?      0.000000       17.57434 
1 1 1 -14 6  18 o 270.344 15.975 198.486   23.051  215.324   26.968  152.814   44.413  281.143 17.986 230.310 37.240 50.83266       41.35592 
1 1 1 -14 6  20 o 162.519 21.455 73.414    18.237  73.020    21.830  74.324    33.184  160.717 26.240 158.218 39.298 2.499023       47.25305 
1 1 1 -14 6  22 o 122.637 32.830 44.071    22.014  -6.1831   43.827  61.028    25.458  96.537  42.754 144.031 33.587 -47.49435      54.36858 
1 1 1 -14 6  24 o 117.314 26.766 39.941    16.463  30.077    21.365  54.355    25.828  103.219 33.634 134.820 35.313 -31.60077      48.76722 
1 1 1 -14 6  26 o 204.679 22.883 117.860   24.681  111.191   29.596  133.091   44.726  195.993 29.044 207.390 41.671 -11.39684      50.79441 
1 1 1 -14 6  28 o 149.649 30.572 66.937    23.699  51.232    28.363  103.268   43.138  128.230 38.312 177.488 45.209 -49.25771      59.25967 
1 1 1 -14 6  30 o 121.383 40.407 47.398    30.775  -2.6805   45.840  88.492    41.525  94.411  42.621 159.818 45.988 -65.40686      62.70081 
1 1 1 -14 6  32 o 117.970 33.671 44.905    22.347  42.678    30.615  47.444    32.693  113.832 40.217 118.567 41.589 -4.734688      57.85419 
1 1 1 -14 6  34 o 74.973  34.021 -4.4733   29.655  -40.4973  38.851  45.814    45.903  70.086  33.894 115.772 47.106 -45.68609      58.03281 
1 1 1 -14 6  36 o 98.207  36.227 31.331    25.168  52.957    34.261  5.9812    37.095  119.027 42.492 85.994  38.624 33.03278       57.42296 
1 1 1 -14 6  38 o 110.697 41.587 48.329    33.467  57.591    39.508  24.799    62.974  116.507 44.849 101.063 47.172 15.44401       65.08945 
1 1 1 -14 6  40 o 100.697 44.813 47.344    48.724  70.355    65.629  19.084    72.730  107.558 49.483 93.558  45.509 13.99963       67.22839 
1 1 1 -14 7  1  o 316.122 16.048 270.412   27.110  323.121   47.973  245.682   32.859  343.080 26.281 300.372 20.528 42.70779       33.34780 
1 1 1 -14 7  3  o 129.617 17.176 46.144    11.642  65.809    16.807  28.006    16.141  154.499 20.820 99.976  28.644 54.52386       35.41120 
1 1 1 -14 7  5  o 152.042 35.638 66.328    28.544  66.328    28.544  0.0000    0.0000  152.042 35.638 ?       ?      0.000000       35.63813 
1 1 1 -14 7  7  o 280.902 14.558 213.181   21.850  219.061   30.272  206.787   31.569  283.788 20.025 275.363 21.556 8.424835       29.42230 
1 1 1 -14 7  9  o 339.203 16.881 310.670   30.699  314.127   38.113  304.285   51.799  339.785 21.025 332.069 29.399 7.715973       36.14393 
1 1 1 -14 7  11 o 187.981 35.543 100.931   34.509  0.0000    0.0000  100.931   34.509  ?       ?      187.981 35.543 0.000000       35.54295 
1 1 1 -14 7  13 o 241.600 15.779 158.311   20.327  168.247   23.799  131.519   39.080  248.680 17.971 215.037 35.109 33.64290       39.44155 
1 1 1 -14 7  15 o 46.748  22.613 -27.5954  17.319  -27.5954  17.319  0.0000    0.0000  46.748  22.613 ?       ?      0.000000       22.61333 
1 1 1 -14 7  17 o 197.282 18.966 106.723   19.813  116.003   23.681  85.064    36.177  205.024 21.882 169.689 40.355 35.33508       45.90569 
1 1 1 -14 7  19 o 170.405 22.679 80.925    20.205  82.276    24.088  77.715    37.112  170.464 27.276 160.967 42.410 9.497284       50.42450 
1 1 1 -14 7  21 f 204.562 25.054 117.365   26.903  162.918   36.704  64.478    39.548  239.769 29.153 146.333 45.546 93.43553       54.07659 
1 1 1 -14 7  23 f 54.673  23.510 -0.3317   12.431  -0.5735   13.230  1.4918    36.332  56.115  24.192 91.972  39.869 -35.85698      46.63403 
1 1 1 -14 7  25 o 252.058 19.529 175.865   26.185  166.388   31.258  198.162   47.945  243.043 24.315 258.847 35.482 -15.80360      43.01394 
1 1 1 -14 7  27 o 110.214 32.137 36.406    20.159  22.507    22.820  85.788    43.014  93.608  34.501 161.185 46.928 -67.57745      58.24552 
1 1 1 -14 7  29 o 91.020  38.182 12.909    31.431  8.4551    43.911  17.589    45.009  98.863  43.325 104.702 44.870 -5.838448      62.37296 
1 1 1 -14 7  31 o 126.341 35.571 51.925    25.117  42.693    30.773  70.349    43.472  114.587 40.339 138.808 47.999 -24.22062      62.69819 
1 1 1 -14 7  33 o 85.298  34.186 17.193    23.776  1.0068    34.421  31.963    32.880  83.330  37.332 103.447 40.605 -20.11630      55.15809 
1 1 1 -14 7  35 f 66.137  31.929 -35.3902  34.095  -62.3129  46.756  -4.8163   49.825  71.270  35.046 90.998  42.301 -19.72797      54.93287 
1 1 1 -14 7  37 o 69.344  32.350 -11.1483  29.557  6.2988    47.207  -22.3980  37.907  90.499  41.755 72.928  34.796 17.57019       54.35308 
1 1 1 -14 7  39 o 72.318  35.272 -31.8315  44.519  19.250    58.698  -101.0054 68.307  93.722  44.305 73.696  37.152 20.02634       57.82019 
1 1 1 -14 8  2  o 258.087 16.798 180.835   23.117  211.867   39.718  164.938   28.428  276.811 27.111 245.342 21.841 31.46869       34.81393 
1 1 1 -14 8  4  f 389.148 20.913 412.303   43.471  0.0000    0.0000  412.303   43.471  ?       ?      389.148 20.913 0.000000       20.91291 
1 1 1 -14 8  6  o 84.891  32.943 13.144    21.449  13.144    21.449  0.0000    0.0000  84.891  32.943 ?       ?      0.000000       32.94263 
1 1 1 -14 8  8  o 532.570 15.520 765.744   44.313  805.366   62.990  726.922   62.351  544.376 21.582 516.880 22.500 27.49585       31.17765 
1 1 1 -14 8  10 o 228.629 18.881 142.606   22.936  160.887   27.780  103.460   40.652  242.311 21.611 188.174 41.418 54.13747       46.71673 
1 1 1 -14 8  12 o 287.148 15.768 223.521   24.182  217.460   27.885  241.904   48.564  282.622 18.505 294.141 31.276 -11.51889      36.34024 
1 1 1 -14 8  14 o 84.595  25.792 19.766    12.759  34.236    14.428  -32.1460  27.328  109.652 25.086 62.895  29.877 46.75641       39.01270 
1 1 1 -14 8  16 o 157.125 20.224 68.326    16.641  76.325    19.151  43.663    33.626  165.732 22.104 125.604 42.240 40.12780       47.67417 
1 1 1 -14 8  18 o 77.254  28.569 13.389    15.672  20.419    18.731  -3.0222   28.616  89.728  31.479 80.377  35.105 9.351036       47.15212 
1 1 1 -14 8  20 o 77.174  31.427 7.8281    20.452  26.397    28.315  -12.4284  29.574  104.039 38.415 75.626  34.178 28.41333       51.41888 
1 1 1 -14 8  22 o 128.883 30.344 48.696    20.620  32.607    25.773  77.310    34.371  108.497 36.978 159.367 40.224 -50.87035      54.63811 
1 1 1 -14 8  24 o 104.286 30.215 31.797    17.870  31.797    17.870  0.0000    0.0000  104.286 30.215 ?       ?      0.000000       30.21466 
1 1 1 -14 8  26 o 216.025 26.139 133.856   29.658  133.856   29.658  0.0000    0.0000  216.025 26.139 ?       ?      0.000000       26.13889 
1 1 1 -14 8  28 o 110.620 30.909 37.320    19.040  32.753    24.656  44.067    29.967  105.017 36.157 118.616 39.876 -13.59959      53.82792 
1 1 1 -14 8  30 o 96.572  32.413 28.059    19.799  35.551    27.145  19.543    28.942  107.216 37.871 92.848  37.539 14.36847       53.32347 
1 1 1 -14 8  32 o 85.379  35.499 13.795    26.819  -7.1496   42.128  28.068    34.777  86.794  39.825 101.948 41.174 -15.15481      57.28230 
1 1 1 -14 8  34 o 171.489 32.202 93.997    28.519  34.265    38.659  165.319   42.243  106.254 43.231 223.786 36.465 -117.5324      56.55640 
1 1 1 -14 8  36 o 152.078 37.842 82.110    30.729  81.769    42.555  82.482    44.421  139.564 47.516 138.787 48.490 0.7773285      67.88953 
1 1 1 -14 8  38 o 153.441 51.020 116.681   49.069  102.943   65.303  134.496   74.366  129.171 54.654 138.435 58.435 -9.263351      80.01095 
1 1 1 -14 9  1  f 232.135 16.336 146.535   20.201  209.370   36.310  118.367   24.311  275.384 24.861 207.177 22.235 68.20703       33.35372 
1 1 1 -14 9  3  o 389.529 16.584 410.591   34.635  402.604   42.657  426.043   59.331  384.160 20.789 392.317 28.400 -8.157715      35.19579 
1 1 1 -14 9  5  o 330.290 29.817 303.400   52.230  303.400   52.230  0.0000    0.0000  330.290 29.817 ?       ?      0.000000       29.81671 
1 1 1 -14 9  7  o 127.971 21.556 45.751    14.264  63.019    21.840  32.908    18.836  149.007 28.374 107.736 30.965 41.27169       41.99894 
1 1 1 -14 9  9  o 211.478 15.864 121.596   17.855  108.383   24.950  135.465   25.563  197.741 24.028 221.970 21.761 -24.22968      32.41735 
1 1 1 -14 9  11 o 187.702 17.813 96.365    17.711  102.107   20.472  79.281    35.311  192.752 20.107 164.063 40.410 28.68886       45.13610 
1 1 1 -14 9  13 o 148.477 20.081 61.063    15.575  70.587    17.739  29.025    32.535  159.534 21.270 110.889 41.132 48.64517       46.30626 
1 1 1 -14 9  15 o 82.014  29.307 16.297    16.302  16.297    16.302  0.0000    0.0000  82.014  29.307 ?       ?      0.000000       29.30744 
1 1 1 -14 9  17 o 334.996 17.483 305.967   31.290  315.009   37.887  286.570   55.493  338.689 20.968 317.398 33.098 21.29114       39.18061 
1 1 1 -14 9  19 o 77.230  29.671 11.942    17.269  9.4405    21.188  16.891    29.805  79.748  32.162 96.554  38.417 -16.80613      50.10243 
1 1 1 -14 9  21 o 42.315  20.257 -17.5884  13.074  -17.7484  15.195  -17.1324  25.657  47.047  22.329 66.780  30.802 -19.73298      38.04355 
1 1 1 -14 9  23 o 181.629 26.559 94.402    25.098  85.221    32.886  107.209   38.842  167.484 37.551 187.058 39.945 -19.57478      54.82430 
1 1 1 -14 9  25 o 122.387 34.898 45.635    24.016  49.069    29.874  39.359    40.383  126.136 39.638 119.731 45.521 6.404716       60.36020 
1 1 1 -14 9  27 o 78.484  29.503 14.759    16.849  21.208    18.326  -20.4849  42.839  88.004  31.113 84.784  39.349 3.220703       50.16321 
1 1 1 -14 9  29 o 74.888  28.915 12.678    16.461  12.319    17.545  15.319    47.563  75.667  29.674 103.692 45.275 -28.02526      54.13230 
1 1 1 -14 9  31 o 84.954  35.877 11.171    28.054  0.0007    49.562  16.437    34.031  96.418  43.841 93.765  39.552 2.653473       59.04562 
1 1 1 -14 9  33 o 61.836  29.958 -38.0210  30.689  2.3606    52.336  -59.1816  37.885  97.322  44.557 64.068  31.513 33.25361       54.57461 
1 1 1 -14 9  35 o 89.948  37.650 19.449    30.458  10.643    40.380  31.072    46.391  90.764  40.564 104.406 45.155 -13.64176      60.69939 
1 1 1 -14 9  37 o 89.578  40.644 13.920    42.309  51.321    60.701  -21.4174  59.002  109.933 49.390 85.973  41.624 23.95975       64.59044 
1 1 1 -14 10 2  o 102.710 27.426 30.133    15.387  42.250    19.466  9.9567    25.119  121.074 30.114 85.978  34.898 35.09591       46.09478 
1 1 1 -14 10 4  o 198.193 19.253 107.756   20.199  93.247    26.110  129.384   31.878  181.983 27.629 214.709 28.390 -32.72600      39.61516 
1 1 1 -14 10 6  o 239.559 15.302 155.826   19.551  135.180   28.558  174.038   26.821  220.775 24.542 252.128 20.007 -31.35226      31.66364 
1 1 1 -14 10 8  o 295.346 20.742 238.827   32.635  282.579   47.357  199.259   45.036  318.767 27.994 265.628 32.288 53.13858       42.73343 
1 1 1 -14 10 10 o 52.873  23.972 -7.9954   14.685  -19.2038  20.143  4.7198    21.454  56.586  26.499 76.193  31.720 -19.60658      41.33220 
1 1 1 -14 10 12 o 340.427 20.854 317.467   37.878  321.546   53.331  313.315   53.806  338.973 29.644 334.238 30.358 4.734985       42.43036 
1 1 1 -14 10 14 o 331.240 22.337 302.004   39.436  302.004   39.436  0.0000    0.0000  331.240 22.337 ?       ?      0.000000       22.33673 
1 1 1 -14 10 16 o 442.575 15.189 530.997   36.039  514.816   41.687  578.866   71.704  434.844 17.881 454.212 29.607 -19.36783      34.58793 
1 1 1 -14 10 18 o 187.982 20.697 97.993    20.514  106.346   25.201  81.588    35.316  194.604 24.711 164.366 40.369 30.23807       47.33213 
1 1 1 -14 10 20 o 123.373 25.631 43.859    16.399  44.851    19.944  41.788    28.817  123.595 30.325 119.929 39.061 3.665657       49.45072 
1 1 1 -14 10 22 o 96.387  32.079 25.958    19.398  15.789    24.955  41.480    30.833  89.464  35.292 119.289 40.446 -29.82425      53.67899 
1 1 1 -14 10 24 o 200.961 21.387 113.619   22.689  104.278   27.830  132.135   39.181  189.174 28.310 208.383 36.395 -19.20831      46.10887 
1 1 1 -14 10 26 o 354.632 16.636 346.737   31.630  332.155   36.896  387.168   61.436  344.423 20.068 360.381 32.134 -15.95798      37.88563 
1 1 1 -14 10 28 o 192.191 34.302 114.740   34.049  183.081   51.172  60.449    45.610  236.434 41.904 133.144 48.820 103.2900       64.33772 
1 1 1 -14 10 30 o 52.295  24.683 -16.9907  18.094  -22.4542  19.556  15.509    47.696  52.082  24.889 103.263 45.206 -51.18122      51.60457 
1 1 1 -14 10 32 o 139.701 36.033 64.461    27.164  64.461    27.164  0.0000    0.0000  139.701 36.033 ?       ?      0.000000       36.03260 
1 1 1 -14 10 34 o 121.480 43.838 54.947    36.566  99.479    45.232  -29.0459  62.120  156.828 48.692 90.857  43.668 65.97121       65.40495 
1 1 1 -14 10 36 o 99.747  43.768 30.075    44.940  57.688    66.804  7.2491    60.737  114.497 51.592 95.958  45.271 18.53931       68.63832 
1 1 1 -14 11 1  f 125.931 23.556 44.878    15.320  54.324    18.402  23.554    27.650  138.267 25.773 101.221 37.845 37.04543       45.78712 
1 1 1 -14 11 3  o 231.091 16.944 145.677   20.847  157.207   26.479  126.876   33.812  239.070 20.868 211.359 30.739 27.71182       37.15327 
1 1 1 -14 11 5  o 209.855 16.241 120.067   18.130  109.514   25.629  130.637   25.650  198.174 24.655 217.395 22.324 -19.22058      33.26053 
1 1 1 -14 11 7  o 329.933 16.771 296.036   29.569  292.520   37.040  302.212   49.094  326.550 21.273 329.201 28.085 -2.651459      35.23205 
1 1 1 -14 11 9  o 119.327 26.853 40.835    16.764  66.428    28.868  27.812    20.592  150.361 36.236 100.866 33.028 49.49493       49.02956 
1 1 1 -14 11 11 o 196.705 16.784 105.771   17.531  112.112   25.026  99.662    24.566  200.693 23.717 188.713 24.888 11.97954       34.37880 
1 1 1 -14 11 13 o 96.462  32.281 25.072    19.638  25.072    19.638  0.0000    0.0000  96.462  32.281 ?       ?      0.000000       32.28133 
1 1 1 -14 11 15 o 109.159 25.074 34.213    14.365  37.046    16.748  26.329    27.942  113.173 27.803 103.759 38.187 9.413574       47.23576 
1 1 1 -14 11 17 o 69.869  26.057 10.698    13.091  14.328    14.715  -3.0867   28.673  77.104  27.812 79.877  35.007 -2.772842      44.70994 
1 1 1 -14 11 19 o 153.358 30.454 68.749    24.156  56.717    34.368  80.498    33.960  136.676 42.445 162.507 39.389 -25.83044      57.90582 
1 1 1 -14 11 21 o 151.362 22.940 65.071    18.033  55.775    20.566  95.986    37.503  137.821 28.763 175.819 40.606 -37.99797      49.76055 
1 1 1 -14 11 23 o 171.121 23.180 83.457    20.719  89.381    24.363  67.977    39.383  175.555 26.729 144.642 45.521 30.91310       52.78814 
1 1 1 -14 11 25 o 207.845 21.562 122.335   23.677  117.564   27.803  134.930   45.171  201.098 26.427 203.941 42.682 -2.843048      50.20158 
1 1 1 -14 11 27 o 111.459 35.965 38.468    24.465  38.360    30.990  38.647    39.855  112.498 40.386 115.754 44.909 -3.256157      60.39737 
1 1 1 -14 11 29 o 165.236 36.327 87.270    31.305  120.952   42.352  46.706    46.478  189.834 42.653 122.307 48.191 67.52667       64.35541 
1 1 1 -14 11 31 o 140.434 43.091 69.439    35.543  69.439    35.543  0.0000    0.0000  140.434 43.091 ?       ?      0.000000       43.09071 
1 1 1 -14 11 33 o 116.914 33.270 45.134    21.851  44.522    23.367  49.393    61.679  115.300 34.849 119.294 51.829 -3.994110      62.45594 
1 1 1 -14 11 35 o 96.768  43.298 21.303    46.149  7.6390    65.311  34.928    65.217  98.835  46.725 107.555 49.424 -8.719391      68.01504 
1 1 1 -14 12 2  f 171.900 17.039 81.074    15.496  86.291    23.533  77.079    20.591  174.915 25.875 165.755 23.859 9.160278       35.19587 
1 1 1 -14 12 4  o 279.747 14.448 212.391   21.595  242.197   30.914  183.987   30.179  297.330 19.501 258.183 22.013 39.14697       29.40834 
1 1 1 -14 12 6  o 174.118 17.757 83.280    16.345  77.395    23.260  89.021    22.972  165.133 27.221 178.162 24.716 -13.02899      36.76782 
1 1 1 -14 12 8  o 242.092 22.786 162.269   29.227  156.240   41.419  168.249   41.248  233.034 34.167 242.718 32.515 -9.684158      47.16555 
1 1 1 -14 12 10 o 89.590  26.378 22.664    13.523  11.372    20.217  31.808    18.192  80.595  31.774 105.289 30.480 -24.69392      44.02983 
1 1 1 -14 12 12 o 83.192  33.561 10.382    23.078  0.0000    0.0000  10.382    23.078  ?       ?      83.192  33.561 0.000000       33.56119 
1 1 1 -14 12 14 o 212.489 28.716 128.465   31.876  114.060   42.363  147.265   48.396  194.023 41.947 220.892 42.408 -26.86823      59.64880 
1 1 1 -14 12 16 o 195.380 27.925 108.974   28.419  108.974   28.419  0.0000    0.0000  195.380 27.925 ?       ?      0.000000       27.92525 
1 1 1 -14 12 18 o 166.519 21.989 77.981    19.150  73.980    20.999  97.746    46.674  160.993 25.152 174.226 48.293 -13.23355      54.44992 
1 1 1 -14 12 20 f 129.689 33.935 50.917    23.868  59.939    27.566  23.895    47.706  139.843 36.410 113.937 47.356 25.90605       59.73573 
1 1 1 -14 12 22 o 145.034 27.184 61.670    20.361  60.945    22.179  65.553    51.353  142.984 29.894 142.295 51.859 0.6888733      59.85851 
1 1 1 -14 12 24 o 204.611 21.935 118.619   23.687  113.169   25.977  145.503   57.694  198.251 24.996 203.536 52.520 -5.285477      58.16469 
1 1 1 -14 12 26 o 237.692 30.104 167.652   37.503  150.954   46.032  200.614   64.674  216.803 41.107 239.416 51.884 -22.61356      66.19433 
1 1 1 -14 12 28 o 137.799 49.424 66.223    46.402  14.633    66.048  116.507   65.206  114.618 51.505 170.334 58.792 -55.71574      78.16149 
1 1 1 -14 12 30 o 160.313 36.183 83.412    30.361  83.412    30.361  0.0000    0.0000  160.313 36.183 ?       ?      0.000000       36.18269 
1 1 1 -14 12 32 o 83.657  37.258 3.7630    33.749  -9.8730   38.084  53.629    72.830  80.751  37.344 123.513 54.887 -42.76230      66.38616 
1 1 1 -14 12 34 o 114.475 45.426 51.282    41.570  60.086    48.291  26.088    81.690  119.601 48.443 109.125 51.785 10.47646       70.91113 
1 1 1 -14 13 1  o 233.614 21.300 151.191   26.385  0.0000    0.0000  151.191   26.385  ?       ?      233.614 21.300 0.000000       21.30031 
1 1 1 -14 13 3  o 90.355  28.326 22.789    15.265  0.0000    0.0000  22.789    15.265  ?       ?      90.355  28.326 0.000000       28.32555 
1 1 1 -14 13 5  o 117.046 26.346 39.487    16.134  -18.3125  40.979  50.091    17.552  87.343  39.772 132.332 25.665 -44.98936      47.33445 
1 1 1 -14 13 7  o 156.866 27.344 70.339    22.160  0.0000    0.0000  70.339    22.160  ?       ?      156.866 27.344 0.000000       27.34378 
1 1 1 -14 13 9  o 66.679  26.934 6.0746    14.884  18.371    30.237  2.1423    17.099  98.108  38.801 66.295  28.004 31.81331       47.85156 
1 1 1 -14 13 11 o 295.272 18.041 238.919   28.423  239.144   36.110  238.551   46.080  293.372 23.146 289.543 30.125 3.829376       37.99059 
1 1 1 -14 13 13 o 415.853 15.210 470.196   33.912  474.609   48.656  466.026   47.290  414.103 21.995 410.585 21.558 3.517609       30.79839 
1 1 1 -14 13 15 o 123.565 36.518 45.685    25.875  46.936    37.598  44.560    35.663  127.206 44.601 124.340 43.447 2.865524       62.26495 
1 1 1 -14 13 17 o 314.821 16.734 271.889   28.143  255.184   31.576  336.432   62.068  303.734 19.493 338.240 34.720 -34.50620      39.81754 
1 1 1 -14 13 19 o 211.720 19.820 124.933   22.236  123.919   24.167  130.531   56.766  210.034 21.778 195.898 52.836 14.13573       57.14875 
1 1 1 -14 13 21 o 83.769  30.501 17.743    17.759  22.067    19.052  -10.8974  49.029  90.338  31.745 96.186  43.685 -5.847420      54.00113 
1 1 1 -14 13 23 o 106.936 34.638 34.036    22.676  29.521    24.925  55.721    54.622  102.372 36.275 135.271 52.548 -32.89902      63.85305 
1 1 1 -14 13 25 o 97.808  34.139 27.239    22.017  38.288    23.821  -37.5224  57.672  111.900 35.424 92.689  43.847 19.21030       56.36879 
1 1 1 -14 13 27 o 95.232  32.896 26.303    20.417  24.042    21.596  45.326    62.634  93.070  33.674 127.441 53.702 -34.37035      63.38681 
1 1 1 -14 13 29 o 133.483 40.006 60.118    30.890  60.118    30.890  0.0000    0.0000  133.483 40.006 ?       ?      0.000000       40.00645 
1 1 1 -14 13 31 o 117.207 47.053 47.433    45.123  107.282   56.145  -61.7418  75.831  157.526 54.544 92.839  45.441 64.68696       70.99255 
1 1 1 -14 14 2  o 254.534 17.471 177.880   23.697  207.561   43.901  165.675   28.151  268.565 31.063 244.024 21.745 24.54097       37.91785 
1 1 1 -14 14 4  o 205.226 17.047 115.715   18.587  116.078   28.882  115.458   24.284  201.797 27.404 203.130 22.686 -1.333572      35.57573 
1 1 1 -14 14 6  o 284.324 17.090 221.415   25.930  195.122   45.645  233.944   31.508  259.073 33.658 291.024 20.322 -31.95032      39.31672 
1 1 1 -14 14 8  o 154.348 21.021 66.741    16.943  56.069    24.952  75.870    23.078  137.112 34.089 162.471 27.474 -25.35909      43.78243 
1 1 1 -14 14 10 o 296.514 18.539 241.830   29.323  227.993   36.539  266.864   49.148  285.384 24.107 305.205 30.442 -19.82104      38.83143 
1 1 1 -14 14 12 o 214.382 16.917 126.325   19.285  130.609   28.486  122.699   26.204  214.876 25.206 208.763 23.839 6.112595       34.69388 
1 1 1 -14 14 14 o 354.159 17.537 343.603   33.299  367.765   57.567  331.452   40.821  357.849 30.290 344.994 22.188 12.85577       37.54685 
1 1 1 -14 14 16 o 68.149  29.102 1.6594    18.814  12.251    23.272  -18.3225  31.965  84.064  33.776 74.748  34.442 9.316208       48.23979 
1 1 1 -14 14 18 o 249.918 21.011 174.344   27.891  157.027   34.785  205.524   46.676  233.342 28.390 263.714 33.790 -30.37231      44.13388 
1 1 1 -14 14 20 f 76.449  30.534 10.296    18.896  11.685    22.314  6.7749    35.525  82.056  33.037 92.723  39.803 -10.66698      51.72745 
1 1 1 -14 14 22 o 89.182  34.463 18.051    23.398  33.112    29.530  -7.3561   38.355  108.608 39.365 87.139  39.194 21.46870       55.54962 
1 1 1 -14 14 24 f 180.375 47.830 110.757   47.008  0.0000    0.0000  110.757   47.008  ?       ?      180.375 47.830 0.000000       47.83035 
1 1 1 -14 14 26 f 202.198 23.621 117.784   25.124  103.866   28.833  161.678   51.206  185.962 29.936 219.472 45.028 -33.50996      54.07096 
1 1 1 -14 14 28 o 161.197 49.487 96.937    46.871  96.937    46.871  0.0000    0.0000  161.197 49.487 ?       ?      0.000000       49.48719 
1 1 1 -14 14 30 o 149.597 45.928 84.419    40.372  107.095   59.268  64.788    55.143  155.530 55.849 128.778 51.904 26.75224       76.24392 
1 1 1 -14 15 1  o 163.364 23.853 75.691    20.276  73.349    28.013  78.269    29.384  156.589 34.316 161.604 34.933 -5.014099      48.96852 
1 1 1 -14 15 3  o 141.209 25.280 57.228    18.435  81.933    24.672  25.996    27.741  168.375 28.337 102.080 37.958 66.29468       47.36851 
1 1 1 -14 15 5  o 100.548 29.179 29.350    16.654  44.279    21.452  6.7024    26.422  122.116 32.277 83.458  35.008 38.65842       47.61707 
1 1 1 -14 15 7  o 288.369 23.270 232.324   35.671  289.221   54.594  189.941   47.119  316.018 32.695 253.796 35.609 62.22195       48.34254 
1 1 1 -14 15 9  o 254.474 25.296 182.620   34.054  182.620   34.054  0.0000    0.0000  254.474 25.296 ?       ?      0.000000       25.29593 
1 1 1 -14 15 11 o 122.880 30.000 44.564    19.592  44.124    24.984  45.267    31.573  121.499 35.877 123.692 40.915 -2.193260      54.41717 
1 1 1 -14 15 13 o 303.684 22.626 257.371   36.575  231.321   50.864  285.262   52.629  280.654 34.533 314.051 31.691 -33.39731      46.87027 
1 1 1 -14 15 15 o 138.452 27.847 55.932    19.954  75.397    26.768  31.587    29.936  159.340 32.437 108.689 39.598 50.65148       51.18725 
1 1 1 -14 15 17 o 153.744 36.568 72.195    29.702  72.195    29.702  0.0000    0.0000  153.744 36.568 ?       ?      0.000000       36.56760 
1 1 1 -14 15 19 o 204.441 20.674 116.978   22.349  106.793   25.760  147.980   44.943  193.159 25.498 219.070 39.729 -25.91090      47.20732 
1 1 1 -14 15 21 o 123.088 30.530 45.567    20.049  49.826    22.681  30.342    42.882  127.947 32.885 113.750 45.797 14.19748       56.38095 
1 1 1 -14 15 23 o 233.275 24.791 156.223   30.529  162.318   37.524  144.289   52.506  233.900 30.662 206.173 48.341 27.72762       57.24481 
1 1 1 -14 15 25 o 110.167 39.797 36.576    30.146  48.892    40.313  20.951    45.405  123.667 45.802 106.333 45.305 17.33355       64.42346 
1 1 1 -14 15 27 o 135.031 42.620 63.087    34.500  66.627    46.644  58.812    51.263  135.194 49.401 129.340 50.722 5.853210       70.80412 
1 1 1 -14 16 2  o 272.831 17.632 204.510   25.652  269.357   47.792  178.267   30.403  307.016 29.394 252.621 22.690 54.39474       37.13323 
1 1 1 -14 16 4  o 298.184 15.526 242.785   24.734  278.851   37.483  214.966   32.919  316.675 22.218 277.830 22.288 38.84451       31.47029 
1 1 1 -14 16 6  o 68.375  25.864 9.9056    12.995  -6.3730   21.561  19.191    16.284  66.578  29.707 85.227  29.382 -18.64845      41.78292 
1 1 1 -14 16 8  o 142.574 23.108 57.697    17.059  60.254    25.566  55.644    22.904  141.958 34.033 137.061 31.786 4.897125       46.56794 
1 1 1 -14 16 10 o 123.945 27.080 44.721    17.492  49.353    26.602  41.194    23.216  128.043 36.797 117.807 34.528 10.23619       50.45980 
1 1 1 -14 16 12 o 282.086 32.058 230.751   47.622  0.0000    0.0000  230.751   47.622  ?       ?      282.086 32.058 0.000000       32.05829 
1 1 1 -14 16 14 f 213.731 23.365 128.604   26.338  89.706    33.669  189.939   42.278  171.607 37.631 255.654 31.512 -84.04655      49.08305 
1 1 1 -14 16 16 o 197.901 22.825 110.437   23.773  122.756   31.358  93.786    36.456  205.699 29.259 173.824 39.956 31.87500       49.52336 
1 1 1 -14 16 18 o 112.849 31.604 38.139    19.881  18.619    23.564  86.364    37.038  90.239  34.662 164.911 41.828 -74.67174      54.32356 
1 1 1 -14 16 20 o 68.881  31.768 -15.7269  27.287  -21.3326  42.137  -11.6785  35.809  84.589  39.176 81.973  37.270 2.615852       54.07192 
1 1 1 -14 16 22 o 104.779 39.509 29.932    30.263  16.356    42.771  43.541    42.824  103.116 43.953 121.555 46.719 -18.43892      64.14462 
1 1 1 -14 16 24 o 113.136 39.379 39.962    29.284  17.691    39.001  68.744    44.336  99.730  42.220 139.944 48.469 -40.21396      64.27834 
1 1 1 -14 17 1  o 233.669 32.084 159.438   39.133  0.0000    0.0000  159.438   39.133  ?       ?      233.669 32.084 0.000000       32.08369 
1 1 1 -14 17 3  o 195.389 19.016 105.848   19.668  156.201   31.227  72.737    25.322  235.054 25.170 157.134 31.158 77.91980       40.05496 
1 1 1 -14 17 5  o 62.363  26.764 0.3550    16.055  33.762    25.083  -22.8284  20.895  108.842 36.483 55.432  26.272 53.41013       44.95770 
1 1 1 -14 17 7  o 94.239  26.993 25.676    14.336  27.668    23.609  24.512    18.043  100.980 35.346 93.770  30.926 7.209480       46.96610 
1 1 1 -14 17 9  o 157.455 23.027 70.211    18.864  68.254    27.713  71.901    25.750  150.533 35.001 155.884 31.886 -5.351227      47.34789 
1 1 1 -14 17 11 o 139.679 33.866 58.678    25.098  0.0000    0.0000  58.678    25.098  ?       ?      139.679 33.866 0.000000       33.86611 
1 1 1 -14 17 13 o 310.734 20.120 267.805   33.338  218.609   65.034  285.341   38.828  261.096 48.236 319.266 22.835 -58.17044      53.36801 
1 1 1 -14 17 15 o 150.880 55.828 74.066    59.864  74.066    59.864  0.0000    0.0000  150.880 55.828 ?       ?      0.000000       55.82804 
1 1 1 -14 17 17 o 77.313  31.041 10.377    19.640  -86.3597  55.568  24.186    20.995  78.875  38.668 94.231  33.303 -15.35593      51.03242 
1 1 1 -14 17 19 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -14 17 21 o 149.512 36.802 71.022    29.301  80.726    38.861  58.234    44.608  154.576 44.491 132.693 48.338 21.88306       65.69592 
1 1 1 -14 18 2  o 80.758  29.792 15.731    17.022  40.024    52.385  12.863    17.999  126.604 50.743 78.334  30.238 48.27036       59.06941 
1 1 1 -14 18 4  o 106.572 34.660 33.014    22.692  43.353    56.389  31.016    24.787  130.825 52.572 104.994 36.248 25.83060       63.85665 
1 1 1 -14 18 6  o 137.889 29.083 56.012    20.823  -6.0187   57.315  65.445    22.350  106.430 47.888 149.373 28.954 -42.94310      55.96077 
1 1 1 -14 18 8  o 59.642  26.018 -1.6260   15.676  54.688    57.601  -6.1307   16.291  138.319 53.898 57.012  25.602 81.30678       59.66960 
1 1 1 -14 18 10 o 67.286  29.298 -1.0576   19.795  -72.7340  60.662  7.4840    20.941  87.488  42.321 76.471  31.545 11.01763       52.78405 
1 1 1 -14 18 12 o 59.767  27.185 -9.3450   19.077  -2.8604   47.632  -10.5838  20.819  98.960  44.155 62.003  28.278 36.95677       52.43362 
1 1 1 -14 18 14 o 162.154 39.138 82.608    33.637  94.374    56.625  76.191    41.814  164.351 54.814 152.079 46.750 12.27248       72.04298 
1 1 1 -14 18 16 o 112.255 41.234 35.995    32.558  40.615    56.785  33.732    39.738  126.259 51.998 113.774 44.645 12.48474       68.53481 
1 1 1 -13 0  1  o 242.754 20.983 161.908   26.840  161.908   26.840  161.908   26.840  242.754 20.983 242.754 20.983 0.000000       0.000000 
1 1 1 -13 0  3  o 75.726  38.958 22.686    20.191  22.686    20.191  22.686    20.191  75.726  38.958 75.726  38.958 0.000000       0.000000 
1 1 1 -13 0  5  o 162.357 26.592 76.369    21.282  76.369    21.282  76.369    21.282  162.357 26.592 162.357 26.592 0.000000       0.000000 
1 1 1 -13 0  7  o 173.834 24.733 86.058    21.701  86.058    21.701  86.058    21.701  173.834 24.733 173.834 24.733 0.000000       0.000000 
1 1 1 -13 0  9  o 46.018  28.177 4.7228    13.294  4.7228    13.294  4.7228    13.294  46.018  28.177 46.018  28.177 0.000000       0.000000 
1 1 1 -13 0  11 f 86.760  41.394 29.904    22.053  29.904    22.053  29.904    22.053  86.760  41.394 86.760  41.394 0.000000       0.000000 
1 1 1 -13 0  13 o 735.861 23.929 1461.79   94.176  1461.79   94.176  1461.79   94.176  735.861 23.929 735.861 23.929 0.000000       0.000000 
1 1 1 -13 0  15 o 161.609 41.520 83.119    31.095  83.119    31.095  83.119    31.095  161.609 41.520 161.609 41.520 -0.000000      0.000000 
1 1 1 -13 0  17 o 962.518 39.990 2528.55   205.552 2528.55   205.552 2528.55   205.552 962.518 39.990 962.518 39.990 -0.000000      0.000000 
1 1 1 -13 0  19 o 466.892 32.261 598.436   79.870  598.436   79.870  598.436   79.870  466.892 32.261 466.892 32.261 -0.000000      0.000000 
1 1 1 -13 0  21 o 67.007  38.334 15.829    21.741  15.829    21.741  15.829    21.741  67.007  38.334 67.007  38.334 -0.000000      0.000000 
1 1 1 -13 0  23 o 629.909 33.900 1092.11   113.729 1092.11   113.729 1092.11   113.729 629.909 33.900 629.909 33.900 -0.000000      0.000000 
1 1 1 -13 0  25 o 69.367  38.554 18.366    21.192  18.366    21.192  18.366    21.192  69.367  38.554 69.367  38.554 0.000000       0.000000 
1 1 1 -13 0  27 o 50.352  32.532 0.2802    20.532  0.2802    20.532  0.2802    20.532  50.352  32.532 50.352  32.532 0.000000       0.000000 
1 1 1 -13 0  29 o 59.025  36.295 8.5212    22.270  8.5212    22.270  8.5212    22.270  59.025  36.295 59.025  36.295 0.000000       0.000000 
1 1 1 -13 0  31 o 323.614 24.303 290.966   41.619  290.966   41.619  290.966   41.619  323.614 24.303 323.614 24.303 -0.000000      0.000000 
1 1 1 -13 0  33 o 107.704 58.835 52.422    48.391  52.422    48.391  52.422    48.391  107.704 58.835 107.704 58.835 0.000000       0.000000 
1 1 1 -13 0  35 o 68.333  41.881 14.258    29.433  14.258    29.433  14.258    29.433  68.333  41.881 68.333  41.881 -0.000000      0.000000 
1 1 1 -13 0  37 o 70.909  45.322 10.272    38.511  10.272    38.511  10.272    38.511  70.909  45.322 70.909  45.322 0.000000       0.000000 
1 1 1 -13 0  39 o 61.693  40.716 -0.8378   34.735  -0.8378   34.735  -0.8378   34.735  61.693  40.716 61.693  40.716 0.000000       0.000000 
1 1 1 -13 0  41 o 113.051 56.639 62.108    42.026  62.108    42.026  62.108    42.026  113.051 56.639 113.051 56.639 0.000000       0.000000 
1 1 1 -13 0  43 o 162.264 79.751 158.680   82.666  158.680   82.666  158.680   82.666  162.264 79.751 162.264 79.751 -0.000000      0.000000 
1 1 1 -13 1  2  o 635.754 18.348 1087.70   62.539  1041.99   76.443  1180.23   108.752 621.571 22.939 659.929 30.738 -38.35809      38.35359 
1 1 1 -13 1  4  o 446.239 20.693 536.389   49.507  536.389   49.507  0.0000    0.0000  446.239 20.693 ?       ?      0.000000       20.69313 
1 1 1 -13 1  6  o 522.867 14.908 734.706   41.790  734.198   48.311  736.216   83.288  522.465 17.247 520.588 29.968 1.877380       34.57647 
1 1 1 -13 1  8  o 525.500 17.235 742.790   48.558  767.574   59.573  693.724   83.819  533.780 20.817 504.989 31.111 28.79114       37.43285 
1 1 1 -13 1  10 o 482.137 16.946 625.257   43.804  649.204   53.922  578.787   75.114  490.898 20.488 461.139 30.555 29.75967       36.78853 
1 1 1 -13 1  12 o 513.606 17.343 709.785   47.755  760.933   83.063  684.532   58.365  529.152 29.395 503.867 21.606 25.28442       36.48098 
1 1 1 -13 1  14 o 339.307 16.717 309.785   30.410  280.234   52.433  324.764   37.330  319.827 30.967 346.538 20.180 -26.71127      36.96156 
1 1 1 -13 1  16 o 208.195 19.514 117.870   21.527  126.776   38.443  113.802   25.983  212.897 34.890 203.735 24.265 9.161224       42.49765 
1 1 1 -13 1  18 o 417.991 17.027 470.788   38.157  499.510   46.732  413.345   66.088  430.090 20.267 387.868 32.069 42.22235       37.93625 
1 1 1 -13 1  20 o 331.244 18.515 297.328   32.748  301.601   56.380  295.152   40.231  330.070 32.273 329.080 22.947 0.9899902      39.59896 
1 1 1 -13 1  22 f 280.591 18.572 214.196   27.780  236.871   33.995  168.618   48.197  294.367 21.693 242.831 38.289 51.53606       44.00737 
1 1 1 -13 1  24 o 178.226 20.796 87.774    19.497  95.997    27.806  79.823    27.345  184.020 29.156 166.645 31.767 17.37419       43.11848 
1 1 1 -13 1  26 o 133.941 26.058 51.377    18.039  58.872    25.064  43.323    25.982  141.365 33.570 121.737 36.736 19.62767       49.76476 
1 1 1 -13 1  28 o 107.533 33.664 33.573    21.570  8.5165    32.365  53.595    28.932  91.677  38.616 132.904 38.428 -41.22678      54.47850 
1 1 1 -13 1  30 o 230.265 18.681 147.188   22.863  171.283   32.846  124.543   31.843  245.115 25.362 206.414 29.623 38.70059       38.99664 
1 1 1 -13 1  32 o 62.068  26.606 1.3450    15.831  -7.9905   21.817  11.727    23.007  64.676  29.281 81.801  33.324 -17.12502      44.36093 
1 1 1 -13 1  34 o 60.140  27.146 -5.6254   18.590  7.0450    27.230  -16.6858  25.441  80.762  34.762 64.015  29.914 16.74616       45.86136 
1 1 1 -13 1  36 o 147.265 30.584 69.803    23.358  48.994    33.414  89.689    32.665  115.833 41.890 159.701 38.582 -43.86800      56.95077 
1 1 1 -13 1  38 o 226.985 31.239 168.359   37.008  107.296   52.645  228.018   52.036  149.030 52.729 251.206 39.977 -102.1762      66.17025 
1 1 1 -13 1  40 o 142.055 36.579 75.086    28.027  63.497    39.929  86.340    39.348  118.103 45.178 138.617 45.668 -20.51426      64.23872 
1 1 1 -13 1  42 o 117.254 49.974 93.706    55.279  110.658   77.923  76.531    78.432  111.721 52.254 102.680 49.275 9.040939       71.82304 
1 1 1 -13 1  44 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -13 2  1  o 389.587 14.256 407.853   29.776  456.810   42.273  359.644   41.949  411.907 19.142 364.645 21.553 47.26230       28.82650 
1 1 1 -13 2  3  o 220.538 14.612 131.272   17.179  129.475   19.934  136.456   33.865  218.736 17.135 222.707 29.055 -3.970917      33.73127 
1 1 1 -13 2  5  o 273.010 16.319 201.120   23.776  201.120   23.776  0.0000    0.0000  273.010 16.319 ?       ?      0.000000       16.31888 
1 1 1 -13 2  7  o 287.653 16.433 223.219   25.237  231.148   31.340  208.590   42.566  292.282 20.122 276.102 29.199 16.17987       35.46094 
1 1 1 -13 2  9  o 485.886 14.761 634.489   38.453  617.671   44.243  686.433   77.753  479.181 17.221 502.740 28.970 -23.55804      33.70219 
1 1 1 -13 2  11 o 516.270 15.122 716.497   41.856  703.061   58.860  730.240   59.532  510.677 21.498 520.477 21.334 -9.799774      30.28746 
1 1 1 -13 2  13 o 358.991 14.433 346.414   27.778  319.597   38.933  374.222   39.646  343.625 21.237 372.135 19.944 -28.50958      29.13380 
1 1 1 -13 2  15 o 700.187 23.638 1324.88   88.735  1235.54   124.658 1416.65   126.338 672.202 34.708 721.396 32.665 -49.19470      47.66238 
1 1 1 -13 2  17 o 432.300 16.984 503.405   39.364  550.861   48.370  410.346   67.735  451.799 19.969 386.385 33.015 65.41470       38.58455 
1 1 1 -13 2  19 o 622.059 18.509 1044.70   61.727  1096.35   75.925  944.007   106.013 636.246 22.258 585.545 33.915 50.70074       40.56675 
1 1 1 -13 2  21 o 337.217 17.753 308.315   31.982  274.685   38.209  387.026   58.454  317.103 22.623 374.473 29.350 -57.37039      37.05730 
1 1 1 -13 2  23 f 374.178 18.240 379.951   36.590  401.806   64.879  369.758   44.309  378.698 32.263 367.272 22.612 11.42609       39.39820 
1 1 1 -13 2  25 o 84.006  28.694 18.373    15.519  -8.2708   20.592  53.397    23.610  64.088  28.782 135.079 32.905 -70.99011      43.71672 
1 1 1 -13 2  27 o 228.873 21.016 145.336   25.500  100.605   41.715  172.024   32.222  180.273 43.631 247.680 24.591 -67.40736      50.08330 
1 1 1 -13 2  29 o 249.413 22.402 174.407   29.636  118.728   50.517  203.625   36.595  190.013 49.201 267.786 25.809 -77.77322      55.55904 
1 1 1 -13 2  31 o 149.569 25.215 65.012    19.501  88.984    26.965  38.730    28.235  172.922 30.184 113.507 38.704 59.41496       49.08195 
1 1 1 -13 2  33 o 251.332 30.822 191.069   40.661  222.583   56.600  157.458   58.452  259.667 42.097 205.743 52.744 53.92433       67.48428 
1 1 1 -13 2  35 o 134.492 30.200 57.486    21.243  16.316    30.049  98.617    30.035  88.651  37.268 174.636 33.294 -85.98492      49.97398 
1 1 1 -13 2  37 o 154.300 37.318 84.043    30.534  43.535    45.005  118.591   41.562  109.664 45.823 175.596 44.185 -65.93152      63.65552 
1 1 1 -13 2  39 o 93.374  35.373 29.356    24.330  24.671    35.463  33.522    33.441  92.739  39.788 98.385  40.139 -5.646164      56.51776 
1 1 1 -13 2  41 o 84.861  37.278 20.173    32.681  31.762    70.123  16.958    36.938  97.078  46.588 84.712  38.249 12.36595       60.27839 
1 1 1 -13 2  43 o 61.491  31.464 -146.4096 64.032  0.0000    0.0000  -146.4096 64.032  ?       ?      61.491  31.464 0.000000       31.46444 
1 1 1 -13 3  2  o 196.390 21.028 105.107   21.797  108.534   31.833  102.083   29.907  197.777 31.044 191.881 30.059 5.896423       43.21170 
1 1 1 -13 3  4  o 803.287 20.045 1737.91   86.328  1933.23   105.848 1349.89   149.189 846.522 23.322 702.060 39.800 144.4623       46.12996 
1 1 1 -13 3  6  o 1057.39 24.001 3017.38   136.060 3017.38   136.060 0.0000    0.0000  1057.39 24.001 ?       ?      0.000000       24.00076 
1 1 1 -13 3  8  o 213.414 15.399 123.067   17.501  122.068   19.951  126.399   36.450  212.271 17.692 213.385 32.920 -1.113632      37.37269 
1 1 1 -13 3  10 o 349.509 20.541 330.277   38.321  302.322   53.226  360.362   55.217  332.650 30.173 363.745 28.543 -31.09454      41.53468 
1 1 1 -13 3  12 o 609.926 22.573 1003.86   73.813  1021.06   103.587 986.111   105.206 612.394 31.658 601.469 32.749 10.92517       45.54934 
1 1 1 -13 3  14 o 569.110 18.104 872.284   55.238  873.106   94.590  871.858   68.046  565.940 31.296 568.282 22.334 -2.342041      38.44830 
1 1 1 -13 3  16 o 604.898 15.864 984.886   51.449  1021.41   72.695  948.235   72.825  614.839 22.053 592.216 22.937 22.62317       31.81882 
1 1 1 -13 3  18 o 175.610 21.497 84.634    19.817  75.376    24.087  104.031   34.863  164.140 28.399 191.842 35.193 -27.70193      45.22229 
1 1 1 -13 3  20 o 452.895 17.624 554.232   42.793  596.128   73.183  532.465   52.751  465.530 29.474 442.315 22.317 23.21445       36.96959 
1 1 1 -13 3  22 o 235.973 16.372 151.333   20.584  144.236   28.367  159.225   29.915  228.694 23.468 240.381 23.513 -11.68700      33.22121 
1 1 1 -13 3  24 o 105.662 31.991 31.671    19.679  8.2976    33.942  43.506    24.153  94.941  39.743 122.407 35.029 -27.46497      52.97707 
1 1 1 -13 3  26 f 316.405 16.144 272.991   27.295  269.351   37.924  276.903   39.316  311.658 22.856 315.771 23.390 -4.112518      32.70332 
1 1 1 -13 3  28 o 312.822 18.712 269.700   31.238  251.244   38.111  307.485   54.531  299.291 23.952 326.173 31.579 -26.88132      39.63464 
1 1 1 -13 3  30 o 171.985 22.828 84.113    20.528  83.371    27.469  85.051    30.895  166.961 31.850 166.623 35.661 0.3379211      47.81353 
1 1 1 -13 3  32 o 88.021  36.634 12.556    28.603  -30.1211  38.809  63.304    42.320  76.252  36.040 136.586 47.351 -60.33397      59.50592 
1 1 1 -13 3  34 o 281.183 19.078 224.363   28.590  208.065   38.797  243.732   42.294  262.626 27.985 284.234 28.123 -21.60767      39.67474 
1 1 1 -13 3  36 o 78.219  32.004 13.417    21.337  -6.4960   29.496  35.278    30.905  72.694  33.343 103.061 39.668 -30.36715      51.82042 
1 1 1 -13 3  38 o 153.233 35.422 81.869    28.517  122.268   45.804  56.296    36.442  170.526 48.045 118.545 43.613 51.98078       64.88753 
1 1 1 -13 3  40 o 135.859 36.941 69.761    27.617  21.228    40.476  112.032   37.775  90.425  40.499 166.381 42.265 -75.95644      58.53599 
1 1 1 -13 3  42 o 75.653  37.989 -56.1965  67.789  0.0000    0.0000  -56.1965  67.789  ?       ?      75.653  37.989 0.000000       37.98900 
1 1 1 -13 4  1  o 460.481 20.420 571.424   50.412  591.691   71.201  551.050   71.387  466.548 28.604 449.918 29.763 16.62952       41.27957 
1 1 1 -13 4  3  o 303.872 13.952 248.117   22.730  254.341   31.593  241.439   32.726  306.727 19.311 298.642 20.565 8.085480       28.21027 
1 1 1 -13 4  5  o 352.417 13.990 333.718   26.434  363.144   30.705  249.473   51.954  367.521 15.583 301.428 32.672 66.09360       36.19791 
1 1 1 -13 4  7  o 338.856 16.660 308.842   30.267  308.842   30.267  0.0000    0.0000  338.856 16.660 ?       ?      0.000000       16.66011 
1 1 1 -13 4  9  o 526.250 15.195 744.524   42.871  732.325   49.177  783.155   87.508  521.666 17.583 536.545 30.547 -14.87885      35.24622 
1 1 1 -13 4  11 o 694.466 16.456 1297.45   61.269  1255.00   70.528  1428.03   123.696 682.559 19.273 725.052 31.821 -42.49243      37.20257 
1 1 1 -13 4  13 o 533.982 22.008 769.663   63.005  790.044   87.734  747.959   90.537  538.469 30.516 523.334 32.428 15.13489       44.52853 
1 1 1 -13 4  15 o 493.126 15.257 654.334   40.336  658.522   56.365  649.938   57.747  493.819 21.290 490.475 21.960 3.343933       30.58608 
1 1 1 -13 4  17 o 384.871 17.250 399.371   35.593  401.408   42.735  394.760   64.313  384.803 20.792 378.734 31.972 6.069244       38.13819 
1 1 1 -13 4  19 o 538.111 17.942 782.425   51.763  756.889   62.834  836.359   91.315  528.149 22.191 551.206 31.026 -23.05707      38.14496 
1 1 1 -13 4  21 o 367.114 17.998 365.059   35.423  334.021   59.833  381.809   43.954  345.707 32.669 373.863 22.026 -28.15588      39.40112 
1 1 1 -13 4  23 o 272.685 24.061 205.632   34.815  248.272   46.705  152.308   52.229  297.564 29.671 225.889 44.709 71.67503       53.65889 
1 1 1 -13 4  25 o 87.652  30.053 20.152    17.025  25.735    19.306  0.6175    36.111  96.900  31.992 91.756  39.761 5.144585       51.03319 
1 1 1 -13 4  27 o 106.552 35.323 32.182    23.527  51.797    33.249  12.512    33.296  131.178 41.886 95.679  39.648 35.49902       57.67529 
1 1 1 -13 4  29 o 335.844 16.291 308.835   29.333  287.078   40.762  332.202   42.244  319.134 24.000 344.063 23.034 -24.92929      33.26469 
1 1 1 -13 4  31 o 372.184 16.425 381.485   32.775  344.895   45.561  420.725   47.182  347.464 24.617 385.445 22.936 -37.98154      33.64565 
1 1 1 -13 4  33 o 103.895 33.092 33.705    20.762  26.889    27.700  42.444    31.365  98.234  37.617 114.506 40.680 -16.27160      55.40654 
1 1 1 -13 4  35 o 37.619  18.977 -53.6621  17.976  -47.7753  24.328  -60.7425  26.680  49.470  24.502 49.293  24.617 0.1771049      34.73241 
1 1 1 -13 4  37 o 133.618 41.030 67.234    32.218  3.0861    44.813  135.863   46.352  88.997  40.924 185.241 46.688 -96.24403      62.08486 
1 1 1 -13 4  39 o 55.465  26.838 -27.1930  24.438  -72.9759  34.777  17.465    34.347  55.078  27.594 87.510  38.334 -32.43242      47.23296 
1 1 1 -13 4  41 o 113.962 48.032 74.083    50.122  18.128    72.492  125.333   69.378  93.058  45.304 127.064 55.087 -34.00607      71.32317 
1 1 1 -13 4  43 f 74.541  37.766 -53.0938  76.016  -53.0938  76.016  0.0000    0.0000  74.541  37.766 ?       ?      0.000000       37.76572 
1 1 1 -13 5  2  o 508.086 17.088 694.686   46.547  693.969   80.272  695.049   57.133  505.002 29.780 507.722 20.989 -2.719910      36.43325 
1 1 1 -13 5  4  o 306.278 14.108 252.106   23.166  248.021   32.110  256.539   33.456  302.763 19.893 307.869 20.384 -5.106049      28.48234 
1 1 1 -13 5  6  o 301.644 20.768 246.400   33.382  240.587   45.391  253.248   49.266  296.638 28.909 304.058 30.639 -7.420532      42.12453 
1 1 1 -13 5  8  o 499.181 17.499 670.643   46.831  648.210   56.641  719.114   83.258  490.258 21.549 513.992 30.348 -23.73401      37.22056 
1 1 1 -13 5  10 o 159.800 20.011 69.887    16.768  87.880    20.053  28.060    30.575  179.270 21.280 110.617 40.061 68.65252       45.36216 
1 1 1 -13 5  12 o 495.277 17.388 660.513   46.171  683.959   56.665  614.197   79.642  503.477 20.992 474.190 31.506 29.28723       37.85913 
1 1 1 -13 5  14 o 507.444 17.473 693.789   47.535  717.308   58.315  647.212   82.064  515.373 21.105 486.331 31.646 29.04211       38.03800 
1 1 1 -13 5  16 o 136.484 23.652 51.892    16.680  58.328    18.581  25.177    37.857  144.656 24.854 114.000 43.897 30.65611       50.44471 
1 1 1 -13 5  18 o 205.801 26.967 117.444   29.038  117.444   29.038  0.0000    0.0000  205.801 26.967 ?       ?      0.000000       26.96687 
1 1 1 -13 5  20 o 491.797 17.800 654.892   46.934  610.025   57.420  745.209   81.467  473.197 22.634 519.407 29.376 -46.21042      37.08383 
1 1 1 -13 5  22 o 172.289 25.376 83.240    22.738  72.355    36.292  90.274    29.174  156.007 42.318 177.518 31.823 -21.51053      52.94770 
1 1 1 -13 5  24 o 121.850 26.464 42.679    16.793  43.311    21.414  41.669    27.065  121.773 32.279 120.215 37.721 1.557411       49.64651 
1 1 1 -13 5  26 o 75.576  30.427 8.7276    18.927  -1.1969   30.446  14.979    24.164  83.144  36.265 88.327  34.765 -5.183029      50.23707 
1 1 1 -13 5  28 o 224.670 21.709 141.288   25.823  147.438   40.633  137.121   33.447  222.313 35.268 217.570 29.429 4.742966       45.93397 
1 1 1 -13 5  30 o 136.005 27.491 54.668    19.356  51.015    26.547  58.813    28.282  127.950 36.756 136.882 37.453 -8.932533      52.47580 
1 1 1 -13 5  32 o 214.116 32.426 140.564   36.058  137.282   49.560  144.256   52.561  197.850 47.354 200.998 49.178 -3.147537      68.27022 
1 1 1 -13 5  34 o 92.116  33.435 25.315    21.315  8.2663    28.640  46.484    31.914  82.133  35.500 116.147 41.059 -34.01425      54.27815 
1 1 1 -13 5  36 o 102.273 39.562 34.351    30.859  -3.0411   41.189  82.192    46.590  84.848  39.097 139.067 49.561 -54.21872      63.12571 
1 1 1 -13 5  38 o 125.057 39.383 58.965    29.473  18.226    47.383  84.674    37.641  95.394  43.174 144.452 44.348 -49.05847      61.89259 
1 1 1 -13 5  40 o 89.799  38.367 25.786    32.729  43.270    52.539  14.699    41.838  101.852 45.837 87.001  39.834 14.85085       60.72709 
1 1 1 -13 5  42 o 96.208  46.794 62.085    76.853  62.085    76.853  0.0000    0.0000  96.208  46.794 ?       ?      0.000000       46.79432 
1 1 1 -13 6  1  o 273.543 14.215 201.732   20.775  213.513   29.196  189.647   29.569  280.751 19.518 264.281 21.043 16.47028       28.70144 
1 1 1 -13 6  3  o 454.688 16.794 556.439   40.939  571.030   50.023  526.842   71.243  460.188 20.275 439.411 30.429 20.77698       36.56461 
1 1 1 -13 6  5  o 227.211 16.663 139.665   20.157  118.606   24.344  185.583   35.947  208.483 22.117 260.612 26.077 -52.12872      34.19361 
1 1 1 -13 6  7  o 476.258 29.543 617.832   75.062  617.832   75.062  0.0000    0.0000  476.258 29.543 ?       ?      0.000000       29.54320 
1 1 1 -13 6  9  o 182.350 16.049 90.160    15.530  96.523    17.808  69.954    31.734  188.483 17.835 156.806 38.119 31.67696       42.08492 
1 1 1 -13 6  11 o 435.101 14.900 509.277   34.756  537.786   40.390  427.934   68.225  446.893 16.858 394.967 32.508 51.92569       36.61886 
1 1 1 -13 6  13 o 396.392 14.783 422.850   31.417  467.353   36.657  299.728   60.972  416.540 16.415 329.031 35.106 87.50912       38.75424 
1 1 1 -13 6  15 o 232.804 16.535 146.851   20.504  144.356   24.284  153.050   38.271  230.262 19.865 234.606 31.200 -4.344299      36.98773 
1 1 1 -13 6  17 o 212.571 27.813 125.522   30.937  125.522   30.937  0.0000    0.0000  212.571 27.813 ?       ?      0.000000       27.81293 
1 1 1 -13 6  19 f 236.921 16.539 152.516   20.876  160.971   23.151  115.731   48.290  243.159 17.884 197.419 46.407 45.74080       49.73372 
1 1 1 -13 6  21 o 184.963 19.147 94.002    18.712  85.273    25.048  105.025   28.147  173.713 27.835 193.118 28.002 -19.40480      39.48290 
1 1 1 -13 6  23 o 296.117 15.937 238.634   25.208  231.765   34.856  246.167   36.500  289.618 22.628 298.386 22.993 -8.767639      32.25992 
1 1 1 -13 6  25 o 154.083 27.440 68.216    21.837  23.062    36.046  94.395    27.446  106.735 42.317 181.144 29.258 -74.40919      51.44674 
1 1 1 -13 6  27 o 302.563 18.957 252.649   30.595  236.045   36.152  294.554   57.433  290.226 23.434 316.917 34.352 -26.69116      41.58374 
1 1 1 -13 6  29 o 181.935 22.172 93.747    21.180  78.210    29.391  110.531   30.548  159.726 35.265 193.523 30.448 -33.79741      46.59099 
1 1 1 -13 6  31 o 67.773  31.501 -17.2131  27.616  -17.6743  35.983  -16.5521  43.079  78.055  36.168 85.971  39.744 -7.915436      53.73724 
1 1 1 -13 6  33 o 59.928  27.358 -8.0014   19.546  9.3717    26.130  -30.0702  29.450  81.096  34.456 63.375  30.355 17.72117       45.91970 
1 1 1 -13 6  35 o 88.429  34.801 21.269    24.212  26.895    30.157  11.068    40.611  96.511  38.565 92.071  40.947 4.440323       56.24843 
1 1 1 -13 6  37 o 283.488 25.015 243.708   37.629  179.533   60.701  283.761   47.955  199.826 54.949 298.016 30.441 -98.18993      62.81738 
1 1 1 -13 6  39 o 117.877 42.301 57.998    33.995  33.766    39.631  125.492   66.140  98.334  42.122 141.710 56.939 -43.37582      70.82604 
1 1 1 -13 6  41 o 126.818 50.281 100.780   50.892  186.264   69.188  0.0007    75.123  154.197 59.353 88.020  43.498 66.17734       73.58527 
1 1 1 -13 7  2  o 119.681 24.945 40.221    15.487  0.0000    0.0000  40.221    15.487  ?       ?      119.681 24.945 0.000000       24.94484 
1 1 1 -13 7  4  o 295.981 13.782 235.569   21.870  228.767   30.846  242.444   31.012  290.516 19.925 299.191 19.439 -8.674713      27.83640 
1 1 1 -13 7  6  f 505.136 17.147 687.281   46.437  698.027   56.684  665.351   80.974  508.499 20.792 493.497 30.758 15.00235       37.12651 
1 1 1 -13 7  8  o 156.088 18.307 66.563    15.029  78.394    21.779  55.808    20.766  168.380 24.875 140.874 28.474 27.50578       37.80903 
1 1 1 -13 7  10 o 811.589 17.848 1775.81   77.660  1817.49   89.800  1652.18   154.673 820.335 20.418 775.466 37.203 44.86926       42.43798 
1 1 1 -13 7  12 o 565.144 18.161 861.875   55.027  916.572   67.184  750.399   95.913  582.020 21.531 521.795 34.479 60.22430       40.64972 
1 1 1 -13 7  14 o 768.050 20.225 1596.45   83.283  1619.80   102.137 1550.14   143.864 771.857 24.682 749.281 35.813 22.57684       43.49408 
1 1 1 -13 7  16 o 468.920 17.900 594.668   45.002  594.668   45.002  0.0000    0.0000  468.920 17.900 ?       ?      0.000000       17.90044 
1 1 1 -13 7  18 o 369.018 15.266 367.892   30.203  364.019   34.694  380.013   61.376  366.591 17.652 369.299 31.293 -2.707794      35.92889 
1 1 1 -13 7  20 o 302.312 15.441 247.978   24.943  242.578   28.472  265.797   51.723  298.382 17.881 307.203 31.868 -8.820496      36.54160 
1 1 1 -13 7  22 o 267.175 22.142 197.127   31.431  185.174   41.748  212.767   47.754  255.288 31.148 272.797 33.346 -17.50922      45.63052 
1 1 1 -13 7  24 o 185.951 19.847 95.802    19.481  108.717   26.157  79.716    29.192  196.283 25.456 164.324 34.246 31.95917       42.67090 
1 1 1 -13 7  26 o 227.293 21.087 143.845   25.404  129.394   30.053  180.016   47.545  213.004 26.917 245.636 37.274 -32.63124      45.97685 
1 1 1 -13 7  28 o 218.739 22.386 134.875   25.883  127.380   31.222  151.342   46.280  209.388 28.557 220.499 40.646 -11.11130      49.67486 
1 1 1 -13 7  30 o 166.817 40.102 90.224    35.422  46.794    48.716  138.945   51.598  125.113 49.324 200.563 48.514 -75.45079      69.18453 
1 1 1 -13 7  32 o 128.166 40.842 56.035    31.624  42.248    46.926  67.506    42.803  117.100 47.635 136.023 47.594 -18.92327      67.33741 
1 1 1 -13 7  34 o 104.793 35.590 35.848    23.874  53.972    31.554  11.583    36.510  123.473 40.906 90.452  39.576 33.02139       56.91676 
1 1 1 -13 7  36 o 66.791  31.254 -14.7875  27.934  -27.0116  45.042  -7.1477   35.609  79.007  37.761 78.485  36.230 0.5218811      52.33101 
1 1 1 -13 7  38 o 87.664  37.733 18.563    32.082  10.283    37.425  41.510    62.305  85.872  38.662 107.469 48.977 -21.59642      62.39802 
1 1 1 -13 7  40 o 81.447  38.727 -0.8530   46.129  8.8654    61.135  -13.7005  70.292  89.591  43.125 87.080  42.849 2.511009       60.79364 
1 1 1 -13 8  1  o 474.401 29.547 617.099   74.777  0.0000    0.0000  617.099   74.777  ?       ?      474.401 29.547 0.000000       29.54692 
1 1 1 -13 8  3  o 363.558 16.293 356.261   31.758  353.956   38.913  360.858   54.959  361.307 20.169 362.806 28.484 -1.498016      34.90128 
1 1 1 -13 8  5  o 51.893  21.609 1.5668    9.9591  -6.5099   13.201  12.234    15.172  51.048  22.975 75.815  28.095 -24.76674      36.29251 
1 1 1 -13 8  7  o 346.773 21.705 326.698   40.149  326.698   40.149  0.0000    0.0000  346.773 21.705 ?       ?      0.000000       21.70480 
1 1 1 -13 8  9  o 301.493 17.249 246.014   27.766  176.370   47.823  281.428   34.102  250.482 36.700 322.053 19.847 -71.57101      41.72330 
1 1 1 -13 8  11 f 323.488 21.725 284.872   37.459  323.202   54.815  251.290   51.308  342.329 30.175 300.890 32.312 41.43866       44.21070 
1 1 1 -13 8  13 o 305.313 14.681 251.303   24.031  256.571   27.688  235.215   48.381  307.773 16.844 290.857 31.531 16.91553       35.74778 
1 1 1 -13 8  15 o 335.500 17.101 305.192   30.658  305.192   30.658  0.0000    0.0000  335.500 17.101 ?       ?      0.000000       17.10080 
1 1 1 -13 8  17 f 384.329 15.026 399.128   30.961  413.479   35.885  357.332   61.240  390.712 17.131 357.245 32.324 33.46701       36.58325 
1 1 1 -13 8  19 o 196.243 21.293 106.327   22.044  106.327   22.044  0.0000    0.0000  196.243 21.293 ?       ?      0.000000       21.29322 
1 1 1 -13 8  21 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -13 8  23 o 88.686  28.041 21.901    14.930  11.915    16.341  72.331    36.722  75.850  28.929 153.730 42.916 -77.87952      51.75539 
1 1 1 -13 8  25 o 115.751 28.294 39.262    17.411  39.262    17.411  0.0000    0.0000  115.751 28.294 ?       ?      0.000000       28.29386 
1 1 1 -13 8  27 o 130.214 27.820 49.905    18.832  52.883    25.519  46.344    27.905  131.504 35.408 123.221 38.243 8.282959       52.11786 
1 1 1 -13 8  29 o 217.238 24.045 135.411   27.535  133.395   32.870  140.155   50.417  212.068 29.728 203.513 47.135 8.554993       55.72618 
1 1 1 -13 8  31 o 85.828  35.042 14.822    25.512  12.584    32.625  18.345    40.932  90.344  38.445 100.209 42.863 -9.864799      57.57854 
1 1 1 -13 8  33 o 160.853 37.066 86.266    31.308  145.399   54.931  57.814    38.103  191.917 52.065 126.551 44.850 65.36667       68.71912 
1 1 1 -13 8  35 o 68.012  31.790 -15.2682  28.761  -1.1545   52.360  -21.3666  34.418  94.141  43.625 71.782  33.931 22.35946       55.26654 
1 1 1 -13 8  37 o 97.641  38.229 31.468    29.084  -11.4250  41.157  74.251    41.105  79.918  37.569 132.412 46.620 -52.49400      59.87380 
1 1 1 -13 8  39 o 109.894 42.308 52.146    35.160  95.849    60.592  29.959    43.173  125.283 52.808 94.927  42.218 30.35552       67.60905 
1 1 1 -13 9  2  o 269.572 21.454 198.374   30.750  219.762   45.347  180.169   41.837  281.334 30.556 254.193 31.364 27.14076       43.78819 
1 1 1 -13 9  4  o 213.775 18.299 124.430   20.771  113.093   36.972  129.659   25.108  199.380 35.908 217.563 21.820 -18.18272      42.01769 
1 1 1 -13 9  6  o 567.632 22.005 874.327   66.968  736.688   94.860  1011.08   94.554  515.446 34.526 607.693 29.022 -92.24701      45.10344 
1 1 1 -13 9  8  f 279.398 16.450 211.456   24.533  200.391   29.708  235.181   43.500  271.158 20.589 291.922 28.143 -20.76453      34.87006 
1 1 1 -13 9  10 o 212.001 15.666 121.946   17.679  140.525   24.007  99.928    26.134  226.871 19.939 189.535 26.438 37.33525       33.11398 
1 1 1 -13 9  12 o 281.652 15.531 214.833   23.361  207.278   27.156  236.343   45.820  276.059 18.454 291.682 29.715 -15.62357      34.97946 
1 1 1 -13 9  14 o 109.977 24.192 34.303    13.876  35.978    15.839  28.772    28.781  112.329 26.694 108.226 38.913 4.103607       47.18875 
1 1 1 -13 9  16 o 199.475 20.054 109.314   21.156  109.314   21.156  0.0000    0.0000  199.475 20.054 ?       ?      0.000000       20.05403 
1 1 1 -13 9  18 o 102.175 29.351 29.743    16.928  32.808    20.316  22.783    30.617  107.526 32.493 103.254 39.546 4.271927       51.18279 
1 1 1 -13 9  20 o 236.891 24.031 156.158   30.098  224.914   43.203  91.321    41.954  282.589 28.923 172.980 44.860 109.6083       53.37579 
1 1 1 -13 9  22 o 175.833 19.571 85.658    18.137  85.753    20.454  85.307    39.230  175.106 22.293 166.568 43.468 8.538467       48.85139 
1 1 1 -13 9  24 o 227.462 29.904 148.956   35.584  148.956   35.584  0.0000    0.0000  227.462 29.904 ?       ?      0.000000       29.90445 
1 1 1 -13 9  26 o 213.598 27.274 131.299   30.520  123.916   37.448  145.900   52.668  202.654 35.775 211.797 47.548 -9.142258      59.50340 
1 1 1 -13 9  28 o 69.019  27.312 8.8847    14.989  16.505    16.131  -39.2823  40.556  80.148  29.088 75.400  35.980 4.747879       46.26720 
1 1 1 -13 9  30 o 279.185 19.025 219.349   28.307  271.937   39.601  164.403   40.479  306.538 24.295 230.213 33.803 76.32523       41.62809 
1 1 1 -13 9  32 o 80.221  34.135 8.5325    25.715  39.752    34.964  -28.2496  37.951  111.630 42.377 74.291  35.267 37.33955       55.13224 
1 1 1 -13 9  34 o 67.702  32.839 -42.6698  37.158  -103.8887 53.963  12.530    51.242  69.748  34.859 100.171 45.156 -30.42305      57.04553 
1 1 1 -13 9  36 o 58.639  28.671 -41.3016  29.949  34.251    54.200  -74.5074  35.932  107.092 47.481 57.009  28.485 50.08317       55.36975 
1 1 1 -13 9  38 o 75.929  35.291 -3.6675   34.661  -30.7028  57.587  11.690    43.404  81.978  40.012 88.060  40.412 -6.082306      56.86956 
1 1 1 -13 10 1  o 203.086 21.808 113.497   23.372  100.546   32.053  128.202   34.154  187.876 33.027 213.453 30.731 -25.57713      45.11296 
1 1 1 -13 10 3  f 109.269 21.099 33.514    11.913  22.338    17.582  43.000    16.198  92.006  30.537 123.260 25.357 -31.25394      39.69255 
1 1 1 -13 10 5  o 59.204  24.537 2.6396    12.755  21.093    22.181  -6.4771   15.591  94.436  34.134 56.208  25.157 38.22844       42.40242 
1 1 1 -13 10 7  o 346.645 16.495 324.837   30.655  322.582   37.751  329.202   52.524  344.055 20.560 344.969 28.659 -0.9136963     35.27113 
1 1 1 -13 10 9  o 133.055 19.530 49.019    13.517  38.177    19.492  59.063    18.760  115.563 30.873 145.040 25.031 -29.47612      39.74541 
1 1 1 -13 10 11 o 178.472 17.609 87.091    16.629  97.273    24.045  77.757    23.023  187.087 24.566 166.379 26.714 20.70753       36.29234 
1 1 1 -13 10 13 o 211.943 17.225 122.498   19.403  124.390   22.874  117.645   36.639  212.893 20.286 202.473 35.020 10.42067       40.47149 
1 1 1 -13 10 15 o 93.772  31.157 23.502    18.301  23.502    18.301  0.0000    0.0000  93.772  31.157 ?       ?      0.000000       31.15655 
1 1 1 -13 10 17 o 121.323 26.698 42.209    16.895  40.708    21.137  44.864    28.113  118.498 32.359 124.661 38.335 -6.162460      50.16662 
1 1 1 -13 10 19 o 267.901 18.287 196.507   26.109  208.426   31.855  172.112   45.573  274.754 21.805 243.438 36.004 31.31564       42.09175 
1 1 1 -13 10 21 o 234.671 17.741 151.096   22.156  159.120   25.710  127.944   43.671  240.065 20.162 205.942 40.994 34.12334       45.68441 
1 1 1 -13 10 23 o 154.501 22.875 67.493    18.376  80.457    21.612  33.669    34.909  168.284 24.688 114.031 42.545 54.25365       49.18941 
1 1 1 -13 10 25 o 118.048 34.764 42.075    23.486  46.619    32.509  37.116    33.966  124.062 41.534 115.245 42.149 8.817177       59.17467 
1 1 1 -13 10 27 o 282.095 22.549 225.496   33.818  207.143   43.181  254.611   54.389  264.069 31.096 288.547 35.937 -24.47791      47.52266 
1 1 1 -13 10 29 o 93.578  38.956 16.365    32.355  38.771    47.249  -3.4182   44.397  117.411 47.785 92.365  41.798 25.04613       63.48591 
1 1 1 -13 10 31 o 76.546  29.201 14.175    16.652  15.545    17.718  3.8065    48.740  79.227  30.145 97.652  44.029 -18.42487      53.35968 
1 1 1 -13 10 33 o 115.738 42.672 45.475    34.913  56.750    54.395  37.575    45.529  125.188 51.147 111.893 46.365 13.29507       69.03382 
1 1 1 -13 10 35 o 140.171 42.603 73.880    34.851  56.743    45.175  99.076    54.775  120.542 47.505 147.270 53.577 -26.72780      71.60465 
1 1 1 -13 10 37 o 221.995 33.467 167.739   38.594  190.107   71.387  158.501   45.877  179.379 61.538 200.820 43.840 -21.44159      75.55695 
1 1 1 -13 11 2  o 237.001 14.602 152.310   18.463  136.705   26.169  167.776   26.053  222.774 22.207 247.646 19.787 -24.87161      29.74351 
1 1 1 -13 11 4  o 424.334 16.440 487.352   37.401  525.119   46.434  417.587   63.109  439.550 19.704 387.134 30.657 52.41611       36.44286 
1 1 1 -13 11 6  o 279.107 17.755 211.998   26.429  212.236   31.686  211.454   47.913  278.330 21.398 273.708 33.339 4.621490       39.61566 
1 1 1 -13 11 8  o 153.930 23.657 66.209    18.899  67.534    22.428  62.966    35.095  154.301 28.149 146.595 42.305 7.705292       50.81422 
1 1 1 -13 11 10 o 163.285 22.406 74.098    19.098  72.067    22.219  79.844    37.369  159.790 26.891 164.100 42.228 -4.309982      50.06332 
1 1 1 -13 11 12 o 340.465 17.808 315.497   32.392  300.425   38.662  350.995   59.333  330.923 21.916 353.603 31.632 -22.68057      38.48204 
1 1 1 -13 11 14 o 389.286 17.932 411.866   37.425  411.866   37.425  0.0000    0.0000  389.286 17.932 ?       ?      0.000000       17.93183 
1 1 1 -13 11 16 o 517.159 15.776 725.347   43.742  696.904   50.201  815.028   89.141  505.816 18.512 538.582 31.002 -32.76544      36.10859 
1 1 1 -13 11 18 o 169.705 22.738 80.556    20.167  97.443    23.491  33.228    39.327  186.477 24.058 118.063 44.914 68.41302       50.95144 
1 1 1 -13 11 20 o 58.261  25.202 -0.9649   14.457  -0.9649   14.457  0.0000    0.0000  58.261  25.202 ?       ?      0.000000       25.20221 
1 1 1 -13 11 22 f 102.308 32.625 30.017    20.177  46.103    26.308  7.0431    31.441  123.962 36.868 89.541  37.907 34.42099       52.87854 
1 1 1 -13 11 24 o 250.303 18.350 173.516   24.454  176.975   28.629  164.181   47.027  251.342 21.451 230.887 39.405 20.45502       44.86533 
1 1 1 -13 11 26 o 265.185 19.360 196.543   27.334  188.812   32.365  215.777   51.049  257.288 23.731 264.553 37.005 -7.265228      43.95992 
1 1 1 -13 11 28 o 138.674 32.515 59.724    23.754  65.065    28.282  46.935    43.767  142.437 36.781 122.740 47.217 19.69765       59.85190 
1 1 1 -13 11 30 o 206.980 24.476 124.859   26.635  117.837   29.732  153.393   59.935  198.046 28.850 200.107 54.426 -2.060532      61.59917 
1 1 1 -13 11 32 o 90.936  32.773 24.069    20.426  24.069    20.426  0.0000    0.0000  90.936  32.773 ?       ?      0.000000       32.77271 
1 1 1 -13 11 34 o 73.249  30.597 8.9945    20.056  9.4402    21.103  4.8358    64.458  74.783  31.324 102.044 47.661 -27.26027      57.03339 
1 1 1 -13 11 36 f 104.844 48.300 32.091    62.814  32.091    62.814  0.0000    0.0000  104.844 48.300 ?       ?      0.000000       48.29957 
1 1 1 -13 12 1  o 124.798 21.445 43.690    13.831  73.005    26.622  32.851    16.188  158.969 32.337 106.999 27.922 51.97006       42.72406 
1 1 1 -13 12 3  o 93.830  25.240 25.039    12.974  27.092    17.403  22.471    19.467  98.401  30.145 93.234  32.127 5.167366       44.05515 
1 1 1 -13 12 5  o 260.188 16.314 184.118   22.642  222.983   41.152  167.246   27.114  282.928 27.476 246.838 20.679 36.08961       34.38858 
1 1 1 -13 12 7  o 205.345 15.774 114.825   17.233  131.279   25.757  101.490   23.188  218.028 22.351 191.227 23.085 26.80127       32.13203 
1 1 1 -13 12 9  o 263.558 17.406 189.338   24.456  207.123   44.616  181.699   29.240  270.936 31.291 257.073 21.410 13.86261       37.91459 
1 1 1 -13 12 11 o 105.451 24.542 31.762    13.615  25.750    19.218  37.820    19.291  97.316  31.909 114.474 30.770 -17.15730      44.32780 
1 1 1 -13 12 13 o 111.497 27.193 35.771    16.110  46.579    20.421  17.961    26.215  126.740 30.436 94.315  36.469 32.42544       47.50086 
1 1 1 -13 12 15 o 277.669 19.594 211.583   28.982  212.854   34.191  208.339   54.625  277.223 23.218 266.540 39.415 10.68274       45.74508 
1 1 1 -13 12 17 o 169.128 23.516 80.352    20.746  72.347    23.592  107.656   43.570  158.567 28.812 187.420 44.097 -28.85246      52.67566 
1 1 1 -13 12 19 o 201.599 23.703 114.108   25.130  99.169    29.383  154.795   48.492  184.967 30.707 225.928 41.565 -40.96111      51.67762 
1 1 1 -13 12 21 o 97.824  34.679 25.574    22.782  8.1561    26.663  72.675    43.846  84.608  35.305 150.864 48.093 -66.25635      59.66005 
1 1 1 -13 12 23 o 173.608 23.197 85.802    21.051  87.385    23.002  77.638    52.236  174.270 25.363 152.129 52.614 22.14037       58.40834 
1 1 1 -13 12 25 o 68.143  30.825 -8.4612   24.118  5.6780    27.768  -51.8917  48.666  82.610  35.319 80.196  38.571 2.413460       52.29847 
1 1 1 -13 12 27 o 97.130  34.521 26.819    22.588  27.157    25.272  25.477    50.367  98.896  36.329 112.496 47.818 -13.59931      60.05268 
1 1 1 -13 12 29 o 155.208 32.961 75.000    26.580  53.608    30.080  151.224   56.780  127.785 39.713 203.206 51.925 -75.42134      65.37057 
1 1 1 -13 12 31 o 103.305 36.376 33.096    25.026  33.096    25.026  0.0000    0.0000  103.305 36.376 ?       ?      0.000000       36.37616 
1 1 1 -13 12 33 o 171.298 26.452 89.290    23.511  80.956    24.717  168.467   76.186  160.459 29.830 180.516 63.478 -20.05699      70.13766 
1 1 1 -13 12 35 o 67.852  33.291 -50.0774  41.455  -67.3895  49.444  -9.1120   76.059  70.631  34.974 98.184  47.469 -27.55335      58.96183 
1 1 1 -13 13 2  o 534.274 17.850 776.392   51.130  800.875   63.178  729.917   87.044  540.723 21.793 509.069 32.057 31.65338       38.76292 
1 1 1 -13 13 4  o 563.099 15.451 859.105   46.646  917.854   66.520  802.267   65.429  579.206 21.421 540.912 22.562 38.29382       31.11114 
1 1 1 -13 13 6  o 505.432 17.504 694.204   47.433  709.361   58.653  665.554   80.640  509.176 21.486 487.012 31.046 22.16406       37.75586 
1 1 1 -13 13 8  o 422.790 17.486 485.835   39.635  441.353   48.824  571.794   67.872  400.435 22.837 453.015 28.084 -52.58011      36.19681 
1 1 1 -13 13 10 o 54.724  23.326 0.2875    12.045  7.7623    17.909  -5.8871   16.277  73.578  29.606 57.785  25.795 15.79280       39.26678 
1 1 1 -13 13 12 o 142.874 22.962 57.444    16.993  82.712    34.313  49.234    19.560  166.422 39.118 130.508 28.733 35.91394       48.53650 
1 1 1 -13 13 14 o 196.594 27.104 109.438   27.808  87.965    41.056  127.638   37.799  169.226 44.617 209.189 34.935 -39.96336      56.66644 
1 1 1 -13 13 16 o 115.358 34.616 38.918    23.117  59.911    32.708  17.964    32.677  140.630 40.916 99.750  40.042 40.87973       57.24940 
1 1 1 -13 13 18 o 241.155 17.629 159.967   22.634  149.142   26.271  191.147   44.588  231.412 21.417 255.961 33.279 -24.54875      39.57547 
1 1 1 -13 13 20 o 133.531 30.512 53.018    21.366  53.018    21.366  0.0000    0.0000  133.531 30.512 ?       ?      0.000000       30.51218 
1 1 1 -13 13 22 o 216.148 19.250 130.196   22.074  125.350   24.429  151.753   51.525  210.878 21.929 216.270 45.860 -5.392532      50.83282 
1 1 1 -13 13 24 o 286.951 21.773 231.846   33.247  201.107   38.555  321.002   65.662  263.272 27.732 322.367 38.769 -59.09457      47.66699 
1 1 1 -13 13 26 o 230.421 24.440 152.442   29.732  141.040   33.470  195.099   64.739  218.479 29.314 235.625 52.581 -17.14656      60.20044 
1 1 1 -13 13 28 o 76.508  32.778 4.5908    24.006  8.6369    26.080  -17.8496  61.421  82.101  34.628 100.283 46.733 -18.18157      58.16447 
1 1 1 -13 13 30 o 70.628  31.535 -3.0748   24.343  -22.9062  26.831  89.223    57.883  63.210  29.903 149.214 54.955 -86.00403      62.56388 
1 1 1 -13 13 32 o 92.312  33.301 25.779    21.097  17.598    22.334  93.573    64.294  84.091  33.319 143.394 56.622 -59.30346      65.69793 
1 1 1 -13 13 34 o 262.099 38.527 241.508   52.523  214.678   64.832  292.744   89.592  218.775 55.258 225.776 68.237 -7.000656      87.80562 
1 1 1 -13 14 1  o 424.780 29.826 509.143   67.493  0.0000    0.0000  509.143   67.493  ?       ?      424.780 29.826 0.000000       29.82554 
1 1 1 -13 14 3  o 307.497 17.118 258.109   28.109  254.978   52.064  259.397   33.394  298.477 33.092 307.118 20.397 -8.640778      38.87343 
1 1 1 -13 14 5  o 242.637 17.537 161.111   22.659  173.268   41.469  155.937   27.056  245.995 32.217 237.477 21.483 8.518188       38.72308 
1 1 1 -13 14 7  o 200.498 19.298 110.793   20.487  99.087    40.194  114.901   23.813  180.891 42.215 203.335 22.205 -22.44423      47.69907 
1 1 1 -13 14 9  o 241.583 16.274 159.351   20.955  146.993   30.171  170.868   29.126  229.162 24.961 248.338 22.107 -19.17563      33.34310 
1 1 1 -13 14 11 f 107.961 25.381 33.607    14.444  63.846    22.075  10.971    19.099  148.676 28.734 78.405  30.892 70.27026       42.18990 
1 1 1 -13 14 13 o 234.650 18.414 151.504   22.980  181.406   41.236  138.034   27.676  251.187 31.299 222.068 23.608 29.11958       39.20410 
1 1 1 -13 14 15 o 162.817 21.667 74.421    18.444  108.348   31.381  56.516    22.797  192.825 31.438 138.264 31.462 54.56169       44.47742 
1 1 1 -13 14 17 o 130.245 25.546 49.067    17.201  46.899    20.044  55.126    33.509  125.858 30.109 133.964 41.962 -8.105949      51.64654 
1 1 1 -13 14 19 o 218.967 21.905 134.562   25.370  134.562   25.370  0.0000    0.0000  218.967 21.905 ?       ?      0.000000       21.90501 
1 1 1 -13 14 21 o 93.650  33.617 23.321    21.472  26.444    27.462  18.409    34.442  101.123 37.734 99.606  40.697 1.516655       55.49872 
1 1 1 -13 14 23 o 145.435 31.232 63.597    23.625  114.346   28.781  -41.2514  41.368  198.184 27.856 76.279  36.382 121.9056       45.82182 
1 1 1 -13 14 25 o 96.660  32.282 27.095    19.639  46.159    22.464  -34.7201  40.451  122.427 33.329 77.033  36.523 45.39338       49.44396 
1 1 1 -13 14 27 o 224.732 21.328 143.447   25.389  136.972   29.014  164.612   52.455  217.066 25.412 220.660 45.838 -3.594315      52.41043 
1 1 1 -13 14 29 o 79.068  31.778 12.784    20.607  -3.1679   23.136  74.022    45.331  68.984  30.777 141.648 49.012 -72.66430      57.87410 
1 1 1 -13 14 31 o 147.149 41.173 77.027    33.759  74.609    46.304  79.770    49.326  137.105 49.351 139.981 50.854 -2.876480      70.86369 
1 1 1 -13 15 2  o 184.639 17.151 93.820    16.783  126.241   26.508  72.126    21.683  212.135 23.713 158.761 26.402 53.37372       35.48751 
1 1 1 -13 15 4  o 106.518 24.885 32.759    13.955  39.269    24.977  29.805    16.826  116.003 36.211 101.503 29.293 14.50061       46.57538 
1 1 1 -13 15 6  o 233.501 15.772 149.021   19.629  171.491   29.568  131.314   26.247  248.211 22.463 216.781 22.932 31.43039       32.10032 
1 1 1 -13 15 8  o 176.541 17.643 85.952    16.476  86.411    24.333  85.563    22.389  173.900 26.972 173.869 24.713 0.3089905E-01  36.58214 
1 1 1 -13 15 10 o 333.554 15.537 302.839   27.785  308.526   40.233  297.652   38.418  333.146 22.660 327.531 22.006 5.615417       31.58729 
1 1 1 -13 15 12 o 164.763 23.948 76.913    20.535  73.416    26.969  81.736    31.676  157.380 33.017 164.598 36.817 -7.217819      49.45295 
1 1 1 -13 15 14 o 337.849 22.170 317.658   39.934  320.895   55.766  314.250   57.212  333.421 31.573 328.953 32.880 4.468109       45.58458 
1 1 1 -13 15 16 o 262.019 16.705 188.497   23.344  211.072   35.360  171.057   31.079  273.804 24.342 246.557 23.808 27.24657       34.04898 
1 1 1 -13 15 18 o 146.690 53.402 67.716    54.433  67.716    54.433  0.0000    0.0000  146.690 53.402 ?       ?      0.000000       53.40225 
1 1 1 -13 15 20 o 185.338 37.249 105.030   35.729  49.030    60.772  134.609   44.168  135.312 54.505 207.848 41.092 -72.53621      68.25990 
1 1 1 -13 15 22 o 350.657 16.783 337.780   31.552  339.519   36.525  332.666   62.639  349.556 19.568 332.897 35.651 16.65952       40.66832 
1 1 1 -13 15 24 o 381.282 16.900 400.680   34.547  382.339   40.007  454.461   68.506  369.765 20.258 390.303 33.049 -20.53818      38.76329 
1 1 1 -13 15 26 o 120.699 32.195 45.194    21.218  52.658    24.742  24.452    41.248  129.095 34.909 106.040 44.051 23.05524       56.20631 
1 1 1 -13 15 28 o 60.626  27.573 -7.6422   19.620  7.2466    21.918  -67.6844  44.015  75.378  31.766 69.287  34.057 6.090919       46.57237 
1 1 1 -13 15 30 o 108.916 41.066 39.162    32.692  36.133    43.291  43.183    49.872  109.144 45.217 115.092 48.177 -5.948204      66.07254 
1 1 1 -13 16 1  o 264.009 19.521 192.489   27.435  207.646   34.883  167.908   44.423  272.194 24.155 238.423 35.863 33.77139       43.23913 
1 1 1 -13 16 3  o 114.986 32.855 38.995    21.265  87.811    33.752  6.8622    27.383  170.404 37.921 84.890  35.626 85.51393       52.03083 
1 1 1 -13 16 5  o 246.174 19.555 167.408   25.596  175.568   33.150  155.361   40.281  249.813 25.090 230.668 33.556 19.14481       41.89869 
1 1 1 -13 16 7  o 61.730  27.818 -8.0728   19.426  -8.0728   19.426  0.0000    0.0000  61.730  27.818 ?       ?      0.000000       27.81765 
1 1 1 -13 16 9  o 474.193 17.885 615.324   45.468  633.289   56.435  582.092   76.757  478.569 21.996 450.303 32.002 28.26620       38.83210 
1 1 1 -13 16 11 o 336.982 18.625 312.274   33.518  362.411   41.995  224.283   55.634  361.467 21.771 273.909 38.984 87.55725       44.65176 
1 1 1 -13 16 13 o 171.818 25.214 84.038    22.536  84.251    28.480  83.682    36.855  168.941 32.625 164.234 41.762 4.707291       52.99499 
1 1 1 -13 16 15 o 160.585 26.698 74.215    22.178  83.337    27.800  58.245    36.783  168.071 32.021 137.541 44.071 30.53018       54.47556 
1 1 1 -13 16 17 o 225.220 23.869 143.100   28.382  173.842   41.557  116.224   38.856  243.542 32.649 195.203 38.496 48.33833       50.47677 
1 1 1 -13 16 19 o 189.724 21.870 101.347   21.838  113.505   25.636  69.194    41.690  199.768 24.447 146.640 46.911 53.12828       52.89887 
1 1 1 -13 16 21 o 454.089 18.785 570.059   45.732  546.257   55.492  620.449   80.741  440.124 23.603 458.504 33.068 -18.37961      40.62750 
1 1 1 -13 16 23 o 105.627 31.934 33.666    19.619  42.972    22.266  1.3497    41.492  118.140 33.572 93.908  41.594 24.23163       53.45225 
1 1 1 -13 16 25 o 113.185 43.197 37.677    36.451  37.677    36.451  0.0000    0.0000  113.185 43.197 ?       ?      0.000000       43.19653 
1 1 1 -13 16 27 o 74.822  33.552 -3.3954   27.873  -14.1948  40.417  6.3992    38.491  82.789  38.351 91.050  40.208 -8.261055      55.56484 
1 1 1 -13 17 2  o 225.354 21.024 141.142   25.108  140.163   33.612  142.378   37.765  221.108 29.058 220.945 32.883 0.1626282      43.88258 
1 1 1 -13 17 4  o 109.901 27.256 35.188    15.981  34.021    26.248  35.875    20.146  110.020 37.318 110.652 32.087 -0.6312790     49.21643 
1 1 1 -13 17 6  o 92.938  30.363 24.001    17.407  36.925    24.936  11.715    24.312  112.955 36.296 85.334  34.439 27.62045       50.03416 
1 1 1 -13 17 8  o 353.820 15.561 340.822   29.518  343.652   44.266  338.556   39.611  351.065 23.657 349.756 21.225 1.308655       31.78242 
1 1 1 -13 17 10 o 253.539 17.255 176.447   23.315  168.649   35.075  182.620   31.207  243.630 27.324 255.675 23.013 -12.04437      35.72372 
1 1 1 -13 17 12 o 126.473 26.425 46.400    17.340  60.839    26.388  35.427    23.004  142.260 34.869 110.289 34.801 31.97070       49.26358 
1 1 1 -13 17 14 o 195.529 19.426 106.189   20.095  120.396   30.135  94.812    26.966  204.607 28.222 180.969 28.755 23.63788       40.29087 
1 1 1 -13 17 16 o 128.360 51.793 40.115    54.975  40.115    54.975  0.0000    0.0000  128.360 51.793 ?       ?      0.000000       51.79302 
1 1 1 -13 17 18 o 93.029  28.600 25.042    15.649  10.215    24.748  34.919    20.200  83.540  34.357 108.302 32.327 -24.76158      47.17477 
1 1 1 -13 17 20 o 225.372 30.183 149.475   35.554  135.995   51.249  161.982   49.365  201.628 48.085 225.671 42.357 -24.04385      64.07979 
1 1 1 -13 17 22 o 95.779  36.779 23.009    26.526  3.6764    35.234  48.300    40.301  88.953  38.900 124.500 45.855 -35.54707      60.13177 
1 1 1 -13 17 24 o 184.631 43.188 114.961   41.989  114.961   41.989  0.0000    0.0000  184.631 43.188 ?       ?      0.000000       43.18789 
1 1 1 -13 18 1  o 117.446 30.481 40.829    19.360  0.0000    0.0000  40.829    19.360  ?       ?      117.446 30.481 0.000000       30.48117 
1 1 1 -13 18 3  o 172.246 25.302 84.542    22.669  0.0000    0.0000  84.542    22.669  ?       ?      172.246 25.302 0.000000       25.30174 
1 1 1 -13 18 5  o 139.419 29.630 57.036    21.465  0.0000    0.0000  57.036    21.465  ?       ?      139.419 29.630 0.000000       29.63012 
1 1 1 -13 18 7  o 117.220 30.185 40.559    19.084  10.596    45.520  46.948    21.021  105.619 45.190 125.826 31.292 -20.20705      54.96634 
1 1 1 -13 18 9  f 141.798 28.118 58.580    20.621  0.0000    0.0000  58.580    20.621  ?       ?      141.798 28.118 0.000000       28.11825 
1 1 1 -13 18 11 o 165.302 27.874 79.102    23.824  66.088    54.981  82.110    26.435  146.423 53.615 167.294 30.601 -20.87076      61.73280 
1 1 1 -13 18 13 o 105.798 37.669 30.698    26.908  1.2885    47.147  44.905    32.769  101.238 44.614 122.865 41.697 -21.62762      61.06555 
1 1 1 -13 18 15 o 185.181 25.083 98.081    24.262  81.924    56.654  101.710   26.849  156.291 54.752 187.476 27.532 -31.18532      61.28454 
1 1 1 -13 18 17 o 74.272  33.193 -5.9859   27.033  4.5117    54.454  -9.4194   31.142  107.306 47.583 77.679  35.093 29.62753       59.12399 
1 1 1 -13 18 19 o 75.905  32.757 2.3452    24.306  0.0000    0.0000  2.3452    24.306  ?       ?      75.905  32.757 0.000000       32.75676 
1 1 1 -13 19 2  o 161.128 51.249 86.260    49.811  86.260    49.811  0.0000    0.0000  161.128 51.249 ?       ?      0.000000       51.24887 
1 1 1 -13 19 4  o 180.755 50.304 108.427   50.535  108.427   50.535  0.0000    0.0000  180.755 50.304 ?       ?      0.000000       50.30359 
1 1 1 -13 19 6  o 121.433 37.517 44.511    26.890  37.065    48.652  47.785    32.266  123.153 49.056 125.682 41.352 -2.528931      64.15984 
1 1 1 -13 19 8  o 99.033  32.933 27.821    20.445  0.0000    0.0000  27.821    20.445  ?       ?      99.033  32.933 0.000000       32.93300 
1 1 1 -13 19 10 o 101.638 40.089 22.814    32.196  42.469    66.181  16.720    36.850  134.070 55.756 100.836 41.742 33.23448       69.64954 
1 1 1 -13 19 12 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -12 0  2  o 231.443 20.592 147.275   25.086  147.275   25.086  147.275   25.086  231.443 20.592 231.443 20.592 0.000000       0.000000 
1 1 1 -12 0  4  o 978.750 27.983 2584.39   146.564 2584.39   146.564 2584.39   146.564 978.750 27.983 978.750 27.983 -0.000000      0.000000 
1 1 1 -12 0  6  o 679.318 33.211 1252.76   120.298 1252.76   120.298 1252.76   120.298 679.318 33.211 679.318 33.211 -0.000000      0.000000 
1 1 1 -12 0  8  o 555.730 21.587 833.609   64.096  833.609   64.096  833.609   64.096  555.730 21.587 555.730 21.587 -0.000000      0.000000 
1 1 1 -12 0  10 o 120.515 29.955 45.585    16.749  45.585    16.749  45.585    16.749  120.515 29.955 120.515 29.955 -0.000000      0.000000 
1 1 1 -12 0  12 o 189.586 33.537 105.434   30.905  105.434   30.905  105.434   30.905  189.586 33.537 189.586 33.537 -0.000000      0.000000 
1 1 1 -12 0  14 o 90.948  35.395 30.499    16.454  30.499    16.454  30.499    16.454  90.948  35.395 90.948  35.395 0.000000       0.000000 
1 1 1 -12 0  16 o 411.226 30.091 463.149   65.525  463.149   65.525  463.149   65.525  411.226 30.091 411.226 30.091 0.000000       0.000000 
1 1 1 -12 0  18 o 980.718 40.249 2620.48   210.817 2620.48   210.817 2620.48   210.817 980.718 40.249 980.718 40.249 -0.000000      0.000000 
1 1 1 -12 0  20 o 153.630 34.756 72.635    24.967  72.635    24.967  72.635    24.967  153.630 34.756 153.630 34.756 -0.000000      0.000000 
1 1 1 -12 0  22 o 56.712  35.058 6.4974    21.035  6.4974    21.035  6.4974    21.035  56.712  35.058 56.712  35.058 -0.000000      0.000000 
1 1 1 -12 0  24 o 407.330 32.683 459.529   70.316  459.529   70.316  459.529   70.316  407.330 32.683 407.330 32.683 -0.000000      0.000000 
1 1 1 -12 0  26 o 208.519 28.381 124.396   30.066  124.396   30.066  124.396   30.066  208.519 28.381 208.519 28.381 -0.000000      0.000000 
1 1 1 -12 0  28 o 232.834 26.835 153.253   32.342  153.253   32.342  153.253   32.342  232.834 26.835 232.834 26.835 -0.000000      0.000000 
1 1 1 -12 0  30 o 59.729  38.680 0.6658    29.254  0.6658    29.254  0.6658    29.254  59.729  38.680 59.729  38.680 0.000000       0.000000 
1 1 1 -12 0  32 o 41.788  28.725 -13.8457  20.995  -13.8457  20.995  -13.8457  20.995  41.788  28.725 41.788  28.725 -0.000000      0.000000 
1 1 1 -12 0  34 o 313.618 42.738 295.271   68.084  295.271   68.084  295.271   68.084  313.618 42.738 313.618 42.738 -0.000000      0.000000 
1 1 1 -12 0  36 o 60.583  39.028 3.8393    29.257  3.8393    29.257  3.8393    29.257  60.583  39.028 60.583  39.028 0.000000       0.000000 
1 1 1 -12 0  38 o 113.427 51.812 56.623    34.289  56.623    34.289  56.623    34.289  113.427 51.812 113.427 51.812 0.000000       0.000000 
1 1 1 -12 0  40 o 85.405  48.707 32.194    34.956  32.194    34.956  32.194    34.956  85.405  48.707 85.405  48.707 0.000000       0.000000 
1 1 1 -12 0  42 o 88.980  51.802 36.454    40.786  36.454    40.786  36.454    40.786  88.980  51.802 88.980  51.802 -0.000000      0.000000 
1 1 1 -12 0  44 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -12 1  1  o 734.122 16.570 1448.61   65.217  1550.91   92.306  1346.64   92.155  758.705 22.693 706.712 24.322 51.99316       33.26461 
1 1 1 -12 1  3  o 609.521 21.961 1000.48   71.764  916.621   101.327 1084.89   101.654 580.918 32.667 633.470 29.931 -52.55231      44.30579 
1 1 1 -12 1  5  o 1286.64 27.431 4469.15   189.223 4530.38   231.794 4346.83   327.620 1293.21 33.432 1259.50 48.518 33.71436       58.92101 
1 1 1 -12 1  7  o 921.700 26.962 2293.10   133.236 2293.10   133.236 0.0000    0.0000  921.700 26.962 ?       ?      0.000000       26.96250 
1 1 1 -12 1  9  o 1065.00 20.679 3053.31   118.075 3067.81   166.878 3038.77   167.090 1065.29 29.219 1060.18 29.397 5.108154       41.44750 
1 1 1 -12 1  11 o 237.403 20.430 152.852   25.750  150.021   37.125  155.477   35.747  233.538 30.369 238.152 28.567 -4.613800      41.69400 
1 1 1 -12 1  13 o 236.933 17.389 151.804   21.935  151.817   37.778  151.797   26.941  234.792 30.751 236.388 21.492 -1.595383      37.51698 
1 1 1 -12 1  15 o 870.321 21.313 2041.85   99.447  2024.22   121.811 2077.08   172.208 865.309 26.257 872.998 36.793 -7.688232      45.20149 
1 1 1 -12 1  17 o 690.862 16.607 1284.26   61.513  1241.06   86.708  1328.02   87.279  677.796 23.861 701.286 23.214 -23.48956      33.29000 
1 1 1 -12 1  19 o 905.119 26.962 2221.21   130.838 2172.14   184.894 2270.42   185.171 889.719 38.761 910.057 37.952 -20.33801      54.24747 
1 1 1 -12 1  21 o 281.379 16.154 214.009   24.267  219.872   34.224  208.081   34.415  284.100 22.658 276.168 23.466 7.932037       32.61911 
1 1 1 -12 1  23 o 383.053 18.227 396.814   37.433  438.972   66.341  377.122   45.339  398.361 31.315 371.825 22.855 26.53598       38.76790 
1 1 1 -12 1  25 o 214.030 22.009 126.275   24.895  92.660    45.642  140.510   29.702  175.532 47.392 225.016 25.046 -49.48390      53.60309 
1 1 1 -12 1  27 f 73.687  27.801 11.504    14.989  18.122    22.450  6.1799    20.135  90.269  34.031 75.131  30.955 15.13782       46.00387 
1 1 1 -12 1  29 o 126.125 32.977 47.415    22.550  26.726    32.959  65.623    30.920  106.594 40.982 146.514 38.763 -39.91932      56.40974 
1 1 1 -12 1  31 o 142.050 25.795 58.666    18.921  41.775    26.977  75.021    26.546  117.446 37.753 157.941 32.436 -40.49509      49.77339 
1 1 1 -12 1  33 o 76.964  29.863 12.970    17.624  0.3404    25.011  25.425    24.838  74.879  32.759 96.778  35.931 -21.89874      48.62285 
1 1 1 -12 1  35 o 126.895 35.837 53.244    25.453  61.253    29.764  31.445    49.107  133.991 39.044 110.210 47.040 23.78098       61.13232 
1 1 1 -12 1  37 o 50.872  24.475 -22.7838  19.634  -17.2532  27.392  -28.6283  28.158  64.582  30.448 60.768  29.255 3.813568       42.22535 
1 1 1 -12 1  39 o 137.953 40.639 74.150    32.089  89.031    44.506  58.039    46.309  139.168 48.541 115.031 47.117 24.13706       67.64767 
1 1 1 -12 1  41 o 58.227  27.814 -17.9612  24.368  -45.9431  34.885  8.7021    34.053  60.382  29.803 79.875  36.327 -19.49237      46.98767 
1 1 1 -12 1  43 o 71.816  36.435 -88.6971  72.371  0.0000    0.0000  -88.6971  72.371  ?       ?      71.816  36.435 0.000000       36.43480 
1 1 1 -12 2  2  o 790.372 17.443 1679.59   73.913  1735.74   85.448  1512.76   147.302 803.119 19.845 746.246 36.818 56.87311       41.82540 
1 1 1 -12 2  4  o 754.334 16.991 1529.60   68.714  1555.67   79.406  1451.88   137.111 760.403 19.478 731.641 34.955 28.76215       40.01503 
1 1 1 -12 2  6  o 755.857 17.035 1535.81   69.033  1573.72   79.787  1422.92   137.680 764.804 19.459 724.178 35.461 40.62567       40.44929 
1 1 1 -12 2  8  o 402.118 16.374 434.608   35.300  434.608   35.300  0.0000    0.0000  402.118 16.374 ?       ?      0.000000       16.37372 
1 1 1 -12 2  10 o 231.151 17.124 144.447   21.071  158.225   25.532  115.020   37.312  241.647 19.884 202.952 35.589 38.69539       40.76690 
1 1 1 -12 2  12 o 395.753 16.578 421.123   35.175  417.424   42.699  428.934   62.052  393.194 20.325 397.070 29.357 -3.876190      35.70597 
1 1 1 -12 2  14 o 443.370 16.938 528.762   40.262  515.167   69.180  535.726   49.511  435.082 29.838 445.903 20.710 -10.82037      36.32098 
1 1 1 -12 2  16 o 744.377 19.678 1492.86   78.532  1583.84   96.289  1312.12   135.720 765.913 23.449 692.639 36.679 73.27466       43.53399 
1 1 1 -12 2  18 o 197.535 19.347 106.169   20.227  72.504    33.278  125.892   25.471  159.555 39.188 214.766 22.453 -55.21066      45.16442 
1 1 1 -12 2  20 o 317.982 20.834 274.290   35.321  273.572   50.293  274.989   49.617  315.554 30.092 316.505 29.583 -0.9512329     42.19846 
1 1 1 -12 2  22 o 298.032 15.827 240.158   25.199  244.546   34.927  235.393   36.391  299.593 21.896 293.587 23.312 6.006134       31.98271 
1 1 1 -12 2  24 f 542.343 23.015 802.319   66.921  798.609   93.214  806.265   96.134  535.566 32.619 537.579 33.522 -2.013000      46.77339 
1 1 1 -12 2  26 o 125.623 26.428 45.180    17.235  69.905    22.806  12.251    26.319  156.499 28.219 89.154  35.884 67.34521       45.65062 
1 1 1 -12 2  28 o 95.830  29.744 26.047    16.879  37.296    23.087  13.130    24.741  113.178 34.729 87.299  34.914 25.87956       49.24512 
1 1 1 -12 2  30 o 116.363 28.006 39.926    17.261  19.869    23.605  62.974    25.304  91.861  34.832 144.617 33.321 -52.75600      48.20332 
1 1 1 -12 2  32 o 273.529 17.554 207.387   25.607  204.971   36.337  209.770   36.091  267.015 25.700 270.508 25.175 -3.492401      35.97604 
1 1 1 -12 2  34 o 186.573 35.587 110.573   34.297  130.621   46.128  85.789    51.289  194.092 45.176 150.378 52.128 43.71413       68.97933 
1 1 1 -12 2  36 o 130.626 30.612 54.911    21.064  58.212    30.501  51.902    29.126  127.374 40.057 121.065 39.261 6.308762       56.08867 
1 1 1 -12 2  38 o 74.164  32.044 7.8728    23.316  37.850    31.536  -28.2701  34.627  103.055 39.957 67.603  32.520 35.45200       51.51812 
1 1 1 -12 2  40 o 186.868 29.643 115.394   28.706  156.364   40.593  74.409    40.601  206.017 38.157 127.289 46.154 78.72784       59.88435 
1 1 1 -12 2  42 o 79.967  36.141 14.099    33.071  -1.5269   70.077  18.576    37.511  87.025  42.815 83.969  38.165 3.055420       57.35560 
1 1 1 -12 2  44 o 97.515  45.116 77.520    55.675  -23.0968  79.735  173.251   77.774  77.111  39.024 113.920 52.921 -36.80838      65.75364 
1 1 1 -12 3  1  o 1215.13 22.516 3978.97   146.682 3716.18   207.403 4241.94   207.476 1170.78 33.042 1251.74 30.916 -80.95801      45.25034 
1 1 1 -12 3  3  o 1200.85 22.328 3885.02   143.751 3988.16   166.072 3576.83   287.076 1215.77 25.479 1142.56 46.865 73.21094       53.34291 
1 1 1 -12 3  5  o 432.127 14.292 501.587   33.111  516.102   38.297  458.607   65.899  438.201 16.301 410.690 30.140 27.51129       34.26542 
1 1 1 -12 3  7  o 1008.19 28.563 2747.19   154.389 2772.17   218.198 2722.14   218.480 1008.67 40.349 999.357 40.777 9.316162       57.36562 
1 1 1 -12 3  9  o 924.639 27.186 2309.53   134.766 2309.53   134.766 0.0000    0.0000  924.639 27.186 ?       ?      0.000000       27.18556 
1 1 1 -12 3  11 o 461.322 20.667 573.171   51.114  565.555   71.415  581.172   73.192  456.248 29.351 462.462 29.677 -6.213562      41.73958 
1 1 1 -12 3  13 o 218.621 17.525 129.402   20.368  136.781   24.481  112.809   36.713  224.400 20.578 200.826 35.391 23.57397       40.93880 
1 1 1 -12 3  15 f 220.912 15.430 131.853   18.161  133.846   25.111  129.669   26.295  221.796 21.383 218.046 22.832 3.749954       31.28136 
1 1 1 -12 3  17 o 273.150 17.478 201.688   25.461  169.560   42.661  219.465   31.733  247.515 32.968 284.482 20.953 -36.96651      39.06312 
1 1 1 -12 3  19 o 300.176 17.079 243.504   27.372  258.871   33.308  211.539   48.038  309.047 20.214 276.524 33.058 32.52307       38.74844 
1 1 1 -12 3  21 o 406.100 17.397 444.966   37.878  469.803   64.868  432.116   46.659  413.810 29.431 398.857 21.903 14.95392       36.68664 
1 1 1 -12 3  23 o 355.959 17.928 343.753   34.105  336.526   40.872  360.319   61.880  351.183 21.816 359.707 32.436 -8.523468      39.09023 
1 1 1 -12 3  25 o 558.875 16.057 846.196   48.113  802.812   67.950  889.815   68.134  541.155 23.421 570.323 22.283 -29.16803      32.32727 
1 1 1 -12 3  27 o 182.956 20.749 92.936    19.993  101.805   27.007  82.182    29.738  189.302 27.407 167.132 34.337 22.16930       43.93388 
1 1 1 -12 3  29 o 332.312 22.400 307.774   39.675  201.065   54.227  430.703   58.203  257.156 40.686 389.273 28.077 -132.1164      49.43309 
1 1 1 -12 3  31 o 82.680  30.060 17.326    17.239  0.5178    23.675  36.295    25.151  74.039  32.139 110.480 36.517 -36.44100      48.64586 
1 1 1 -12 3  33 o 201.746 25.080 118.316   26.542  138.664   45.939  108.121   32.519  204.269 43.292 187.206 33.636 17.06334       54.82356 
1 1 1 -12 3  35 o 189.050 23.289 105.052   23.106  107.239   33.019  102.952   32.344  181.480 35.206 177.745 35.187 3.735184       49.77502 
1 1 1 -12 3  37 o 131.126 31.064 56.650    21.503  67.900    30.408  45.398    30.411  135.969 39.420 111.599 40.013 24.37052       56.16888 
1 1 1 -12 3  39 o 99.841  36.476 35.410    25.427  21.135    42.548  43.340    31.713  93.559  41.739 106.702 40.394 -13.14211      58.08480 
1 1 1 -12 3  41 o 58.846  28.006 -15.9568  24.234  8.3071    37.098  -34.0170  32.006  81.119  37.277 60.777  29.700 20.34243       47.66177 
1 1 1 -12 3  43 o 97.814  44.689 59.954    52.283  111.046   76.167  14.431    71.896  106.033 50.227 85.466  42.294 20.56725       65.66186 
1 1 1 -12 4  2  o 340.094 19.516 312.325   35.435  378.350   50.103  246.251   50.122  373.602 25.161 299.880 31.653 73.72144       40.43512 
1 1 1 -12 4  4  o 682.848 23.117 1256.91   84.631  1276.95   119.705 1236.89   119.667 686.407 32.528 675.436 33.046 10.97095       46.36935 
1 1 1 -12 4  6  o 524.074 21.139 739.686   59.395  831.570   83.965  647.661   84.030  553.935 28.368 487.846 32.311 66.08890       42.99667 
1 1 1 -12 4  8  o 474.251 16.761 604.723   42.617  604.723   42.617  0.0000    0.0000  474.251 16.761 ?       ?      0.000000       16.76130 
1 1 1 -12 4  10 o 442.704 14.516 526.601   34.452  531.442   39.577  511.458   70.005  444.574 16.605 433.572 30.307 11.00223       34.55735 
1 1 1 -12 4  12 o 727.546 19.585 1425.31   76.392  1412.88   93.485  1450.31   132.531 723.532 24.100 730.660 33.832 -7.128174      41.53818 
1 1 1 -12 4  14 o 293.783 17.321 233.037   27.161  214.554   44.412  244.081   34.329  279.762 30.083 300.124 21.477 -20.36172      36.96230 
1 1 1 -12 4  16 o 514.740 17.640 713.351   48.680  724.228   83.432  707.737   59.941  515.614 30.315 512.120 21.831 3.493591       37.35744 
1 1 1 -12 4  18 o 484.607 15.250 631.933   39.621  645.114   55.556  618.289   56.522  488.772 21.201 478.361 22.039 10.41077       30.58105 
1 1 1 -12 4  20 o 249.830 18.885 169.479   25.108  177.488   30.841  153.739   43.236  254.970 22.802 234.009 35.583 20.96062       42.26200 
1 1 1 -12 4  22 o 421.824 17.427 481.026   39.411  471.123   47.457  503.035   70.746  416.061 21.347 426.406 31.162 -10.34436      37.77246 
1 1 1 -12 4  24 o 303.719 17.861 251.135   28.956  261.343   49.114  245.697   35.848  305.529 30.387 299.052 22.524 6.476563       37.82455 
1 1 1 -12 4  26 o 234.384 18.060 150.550   22.519  151.058   30.754  149.963   33.067  232.476 25.071 230.785 27.250 1.691025       37.02901 
1 1 1 -12 4  28 f 107.004 34.666 32.777    22.711  50.997    30.710  10.781    33.742  130.141 40.074 94.923  39.671 35.21835       56.38909 
1 1 1 -12 4  30 o 298.102 16.586 244.300   26.403  258.241   36.992  229.823   37.696  303.142 22.930 284.688 24.949 18.45474       33.88634 
1 1 1 -12 4  32 o 196.262 20.812 108.919   21.565  109.195   30.358  108.637   30.638  191.013 30.683 190.240 31.115 0.7723236      43.69855 
1 1 1 -12 4  34 o 85.753  33.667 17.788    22.608  9.2542    26.490  40.674    43.382  81.863  34.733 115.146 46.168 -33.28354      57.77406 
1 1 1 -12 4  36 o 106.719 33.519 37.960    21.365  20.269    29.688  56.965    30.770  90.367  37.442 125.133 40.331 -34.76580      55.03157 
1 1 1 -12 4  38 o 128.134 40.507 62.809    31.155  108.679   43.822  15.932    44.300  160.520 47.546 93.191  42.000 67.32852       63.44040 
1 1 1 -12 4  40 o 92.728  36.172 29.880    25.964  40.018    37.408  20.457    36.067  101.428 42.027 88.732  39.066 12.69521       57.37972 
1 1 1 -12 4  42 o 127.281 44.343 81.334    37.136  149.880   72.744  57.173    43.188  129.054 56.179 103.927 44.230 25.12726       71.50047 
1 1 1 -12 4  44 o 82.231  41.561 28.936    88.693  28.936    88.693  0.0000    0.0000  82.231  41.561 ?       ?      0.000000       41.56133 
1 1 1 -12 5  1  o 628.818 15.585 1062.87   52.542  1006.11   74.177  1120.03   74.435  610.867 22.649 644.703 21.535 -33.83533      31.25278 
1 1 1 -12 5  3  o 693.164 23.368 1295.73   86.841  0.0000    0.0000  1295.73   86.841  ?       ?      693.164 23.368 0.000000       23.36772 
1 1 1 -12 5  5  f 388.576 13.946 405.614   29.053  401.607   40.623  409.809   41.566  385.748 19.709 389.644 19.965 -3.895508      28.05385 
1 1 1 -12 5  7  o 454.175 17.073 554.725   41.573  598.904   51.116  468.402   71.452  471.610 20.216 414.399 32.419 57.21167       38.20585 
1 1 1 -12 5  9  o 411.485 16.179 455.233   35.693  455.233   35.693  0.0000    0.0000  411.485 16.179 ?       ?      0.000000       16.17925 
1 1 1 -12 5  11 f 389.715 16.824 408.495   35.151  408.495   35.151  0.0000    0.0000  389.715 16.824 ?       ?      0.000000       16.82373 
1 1 1 -12 5  13 o 443.276 30.031 535.101   70.949  0.0000    0.0000  535.101   70.949  ?       ?      443.276 30.031 0.000000       30.03097 
1 1 1 -12 5  15 o 146.908 20.814 59.341    15.935  66.261    18.312  37.756    32.342  155.059 22.700 121.648 41.423 33.41037       47.23537 
1 1 1 -12 5  17 o 564.818 15.628 858.596   47.324  828.886   66.295  889.465   67.576  553.814 22.328 573.769 21.968 -19.95483      31.32276 
1 1 1 -12 5  19 o 372.729 17.334 374.688   34.639  375.031   42.415  374.001   60.022  371.717 21.373 368.827 30.631 2.890533       37.35078 
1 1 1 -12 5  21 f 658.606 23.508 1180.22   83.008  1122.02   116.577 1240.06   118.222 636.037 34.314 670.367 32.894 -34.32990      47.53354 
1 1 1 -12 5  23 o 124.902 29.734 44.828    19.624  45.396    33.273  44.525    24.301  127.647 41.992 124.294 34.987 3.353096       54.65682 
1 1 1 -12 5  25 o 125.000 29.816 45.320    19.702  35.688    30.316  52.363    25.922  115.127 40.067 133.383 35.589 -18.25658      53.59081 
1 1 1 -12 5  27 o 229.163 21.418 145.863   26.010  95.752    43.219  174.319   32.568  174.979 45.606 249.326 24.689 -74.34653      51.86000 
1 1 1 -12 5  29 o 299.311 16.647 245.956   26.608  210.439   36.580  285.861   38.774  272.571 25.321 319.550 22.781 -46.97919      34.06106 
1 1 1 -12 5  31 o 97.100  33.536 26.739    21.218  53.244    36.641  13.366    26.026  129.535 44.091 87.022  35.446 42.51313       56.57218 
1 1 1 -12 5  33 f 144.867 39.359 69.605    31.364  98.648    43.242  37.364    45.560  166.875 46.564 115.281 46.921 51.59418       66.10455 
1 1 1 -12 5  35 o 101.543 36.620 33.119    25.509  18.663    29.272  78.750    52.006  89.846  37.199 137.309 51.789 -47.46310      63.76382 
1 1 1 -12 5  37 o 119.924 36.763 51.131    25.877  51.056    32.212  51.267    43.452  116.650 41.249 114.801 46.143 1.849129       61.89225 
1 1 1 -12 5  39 o 84.251  35.841 17.203    28.337  -1.5158   32.521  76.235    57.751  76.014  34.920 122.356 51.563 -46.34200      62.27478 
1 1 1 -12 5  41 o 61.605  30.491 -48.4027  37.426  -74.2842  63.653  -34.7281  46.268  73.915  37.074 71.689  35.173 2.226326       51.10392 
1 1 1 -12 5  43 o 74.864  37.819 -48.8434  72.897  -48.8434  72.897  0.0000    0.0000  74.864  37.819 ?       ?      0.000000       37.81898 
1 1 1 -12 6  2  o 309.355 15.925 257.975   26.322  184.614   45.400  295.124   32.307  258.668 33.526 330.659 18.295 -71.99179      38.19274 
1 1 1 -12 6  4  o 354.087 13.830 336.831   26.255  332.686   36.825  341.116   37.444  350.969 19.649 355.390 19.730 -4.420746      27.84525 
1 1 1 -12 6  6  o 249.827 13.536 168.150   18.063  163.716   24.928  173.052   26.210  245.889 19.058 252.787 19.490 -6.898132      27.25922 
1 1 1 -12 6  8  o 309.493 16.843 258.376   27.843  258.376   27.843  0.0000    0.0000  309.493 16.843 ?       ?      0.000000       16.84344 
1 1 1 -12 6  10 o 395.655 16.355 421.007   34.693  463.164   42.913  341.466   58.945  414.728 19.300 353.437 31.436 61.29059       36.88744 
1 1 1 -12 6  12 o 449.958 17.067 544.793   41.173  602.141   50.774  434.675   70.358  472.710 20.034 398.499 33.235 74.21152       38.80648 
1 1 1 -12 6  14 o 155.006 25.837 66.727    20.716  98.836    28.918  32.880    29.691  188.648 29.564 114.745 39.668 73.90297       49.47278 
1 1 1 -12 6  16 o 681.045 16.637 1249.14   60.746  1277.52   70.054  1163.12   121.964 688.256 18.985 651.112 35.068 37.14380       39.87703 
1 1 1 -12 6  18 o 328.447 17.359 291.794   30.459  291.794   30.459  0.0000    0.0000  328.447 17.359 ?       ?      0.000000       17.35894 
1 1 1 -12 6  20 o 415.862 17.452 467.474   38.910  441.177   47.127  523.793   68.966  402.459 21.924 435.853 29.691 -33.39435      36.90785 
1 1 1 -12 6  22 o 382.704 15.312 395.921   31.417  383.421   43.746  409.236   45.149  374.382 21.890 386.830 21.859 -12.44843      30.93533 
1 1 1 -12 6  24 o 91.121  30.763 22.010    17.836  28.727    20.999  4.6120    33.795  102.131 33.348 92.096  39.158 10.03500       51.43398 
1 1 1 -12 6  26 o 324.835 18.498 289.362   32.082  214.470   52.763  333.291   40.410  270.135 37.438 347.202 21.820 -77.06696      43.33270 
1 1 1 -12 6  28 o 120.526 29.024 42.828    18.531  32.704    20.953  79.171    39.701  105.971 33.180 157.961 44.809 -51.98978      55.75608 
1 1 1 -12 6  30 o 100.332 30.678 29.699    18.033  37.945    24.786  20.426    26.286  112.375 36.195 94.066  36.478 18.30903       51.38774 
1 1 1 -12 6  32 o 129.642 38.563 54.497    28.782  69.466    40.038  38.488    41.405  142.007 46.030 115.714 45.519 26.29285       64.73582 
1 1 1 -12 6  34 o 57.458  26.761 -13.1877  20.096  -64.2339  30.650  25.300    26.614  54.098  26.914 94.834  36.725 -40.73611      45.53096 
1 1 1 -12 6  36 o 97.111  36.151 30.162    25.177  23.541    30.591  44.062    44.325  93.177  38.245 111.687 45.962 -18.50999      59.79319 
1 1 1 -12 6  38 o 88.002  36.537 20.681    28.353  -31.7164  44.126  57.524    37.002  75.151  36.291 119.417 43.944 -44.26614      56.99222 
1 1 1 -12 6  40 o 178.878 40.302 124.882   37.723  96.292    63.531  140.451   46.882  124.198 53.270 175.740 48.276 -51.54150      71.89037 
1 1 1 -12 6  42 o 98.079  45.190 56.372    55.013  60.753    79.847  52.414    75.904  96.501  47.104 95.028  46.284 1.473137       66.03758 
1 1 1 -12 7  1  o 584.562 15.131 918.722   47.420  973.931   67.112  863.679   67.011  601.078 20.826 565.837 22.089 35.24066       30.35874 
1 1 1 -12 7  3  o 360.123 19.923 350.424   38.316  414.712   54.168  286.048   54.205  390.839 25.999 323.152 31.695 67.68692       40.99389 
1 1 1 -12 7  5  o 210.413 17.532 119.949   19.598  122.364   24.331  115.488   33.068  211.945 21.719 204.080 31.215 7.865860       38.02809 
1 1 1 -12 7  7  o 483.717 16.951 629.477   43.959  679.152   54.090  532.836   75.445  502.077 20.094 441.889 32.064 60.18732       37.83989 
1 1 1 -12 7  9  o 636.262 22.900 1092.60   78.118  1238.01   110.165 945.531   110.789 675.537 30.417 588.161 35.297 87.37555       46.59534 
1 1 1 -12 7  11 o 352.364 14.486 333.802   27.366  332.683   31.570  337.185   54.886  351.600 16.748 351.369 29.406 0.2317200      33.84080 
1 1 1 -12 7  13 o 282.329 17.154 215.429   25.842  213.437   31.311  219.683   45.766  280.449 20.977 282.626 30.697 -2.176971      37.17950 
1 1 1 -12 7  15 o 368.038 15.008 364.581   29.614  370.257   34.207  347.599   59.167  370.655 17.214 355.641 31.352 15.01428       35.76659 
1 1 1 -12 7  17 o 209.285 25.234 120.727   27.742  120.727   27.742  0.0000    0.0000  209.285 25.234 ?       ?      0.000000       25.23386 
1 1 1 -12 7  19 o 217.765 17.222 128.973   19.943  136.823   22.432  99.376    43.559  224.022 18.852 183.930 44.628 40.09273       48.44614 
1 1 1 -12 7  21 o 137.815 21.120 52.873    15.107  40.956    16.906  100.104   33.657  119.758 26.979 186.456 34.953 -66.69791      44.15414 
1 1 1 -12 7  23 o 204.274 26.822 117.283   28.665  0.0000    0.0000  117.283   28.665  ?       ?      204.274 26.822 0.000000       26.82231 
1 1 1 -12 7  25 o 131.247 30.679 50.410    21.200  69.514    33.759  37.970    27.242  151.391 40.709 115.495 37.996 35.89611       55.68599 
1 1 1 -12 7  27 f 56.971  25.989 -9.8308   17.598  -12.8651  20.132  0.0001    36.237  59.683  27.439 90.325  39.476 -30.64275      48.07528 
1 1 1 -12 7  29 o 216.123 23.436 132.325   26.720  61.109    44.466  172.575   33.429  138.745 48.512 245.812 25.748 -107.0666      54.92167 
1 1 1 -12 7  31 o 174.342 36.790 95.815    33.307  111.817   47.258  80.021    46.950  179.385 48.136 150.745 49.895 28.64027       69.32946 
1 1 1 -12 7  33 o 156.792 29.440 75.725    23.839  61.128    33.370  90.939    34.068  132.412 41.929 164.310 39.218 -31.89853      57.41117 
1 1 1 -12 7  35 o 96.337  37.620 27.618    28.109  30.178    33.805  21.884    50.602  100.668 40.616 102.734 45.697 -2.066025      61.13839 
1 1 1 -12 7  37 f 95.354  38.113 27.833    29.463  -14.9590  55.066  44.997    34.875  88.760  42.236 110.726 42.254 -21.96563      59.74341 
1 1 1 -12 7  39 o 167.494 35.681 100.181   31.060  153.060   44.737  50.969    43.158  196.152 43.664 109.521 45.242 86.63073       62.87555 
1 1 1 -12 7  41 o 95.179  40.163 38.429    35.112  121.520   62.308  -0.2358   42.504  128.164 53.761 78.345  37.229 49.81854       65.39302 
1 1 1 -12 8  2  f 327.047 19.969 289.444   34.846  304.099   49.916  275.514   48.666  333.741 28.160 317.397 28.917 16.34406       40.36296 
1 1 1 -12 8  4  o 281.055 14.151 212.885   21.255  220.240   30.195  205.660   29.925  285.155 19.875 275.428 20.411 9.727173       28.48906 
1 1 1 -12 8  6  o 373.074 14.292 374.189   28.586  340.434   40.364  408.152   40.489  354.591 21.331 389.163 19.406 -34.57126      28.83774 
1 1 1 -12 8  8  o 162.529 23.834 72.879    20.151  72.879    20.151  0.0000    0.0000  162.529 23.834 ?       ?      0.000000       23.83382 
1 1 1 -12 8  10 o 297.397 16.834 238.901   26.731  245.650   32.532  224.875   46.897  301.075 20.272 285.853 31.103 15.22250       37.12617 
1 1 1 -12 8  12 o 96.671  26.722 26.134    14.312  34.897    17.216  6.5238    25.753  111.222 28.685 85.005  35.014 26.21691       45.26351 
1 1 1 -12 8  14 o 199.127 19.479 108.118   20.529  118.264   25.124  87.732    35.612  207.700 22.945 174.949 38.967 32.75084       45.22057 
1 1 1 -12 8  16 o 316.377 17.610 271.205   29.751  275.388   36.505  262.931   51.341  317.984 21.540 307.911 31.546 10.07303       38.19839 
1 1 1 -12 8  18 o 319.257 15.141 275.143   25.917  285.147   29.706  243.262   53.030  324.250 17.149 294.239 34.258 30.01062       38.31024 
1 1 1 -12 8  20 o 223.121 17.499 135.788   20.765  138.603   23.404  125.375   45.010  224.949 19.602 206.285 42.122 18.66434       46.45998 
1 1 1 -12 8  22 o 216.490 19.611 128.830   22.514  127.577   26.608  131.988   42.247  214.267 23.551 212.110 38.572 2.157333       45.19302 
1 1 1 -12 8  24 o 202.399 21.352 113.735   22.820  113.992   27.167  113.119   42.057  201.079 25.795 193.206 41.815 7.872391       49.13107 
1 1 1 -12 8  26 o 101.393 32.157 29.418    19.622  26.829    24.082  34.534    33.848  100.472 35.651 114.202 42.029 -13.73032      55.11300 
1 1 1 -12 8  28 o 200.428 23.225 113.691   24.494  93.842    30.122  152.439   42.086  177.265 32.906 224.879 36.131 -47.61398      48.86971 
1 1 1 -12 8  30 o 89.120  37.130 12.357    29.427  -30.9490  41.756  55.090    41.478  79.613  37.553 130.524 46.737 -50.91158      59.95501 
1 1 1 -12 8  32 o 116.306 34.179 43.379    22.722  22.561    31.305  66.559    33.033  96.468  39.028 139.322 41.284 -42.85319      56.81103 
1 1 1 -12 8  34 o 107.082 38.598 37.766    28.333  55.956    34.868  2.4098    48.613  124.483 42.990 94.232  43.068 30.25130       60.85229 
1 1 1 -12 8  36 o 148.418 39.225 78.576    31.684  -5.8964   58.863  113.033   37.594  94.968  44.732 178.175 40.299 -83.20689      60.20764 
1 1 1 -12 8  38 o 133.830 37.753 66.110    28.263  36.148    42.354  90.163    37.949  102.341 43.684 148.567 44.300 -46.22655      62.21536 
1 1 1 -12 8  40 o 72.330  33.879 -4.4066   32.961  -101.0638 67.174  26.244    37.827  72.204  36.455 90.056  39.810 -17.85221      53.97905 
1 1 1 -12 9  1  o 295.734 14.076 235.326   22.318  210.872   31.610  259.633   31.514  278.479 21.334 309.573 19.081 -31.09464      28.62197 
1 1 1 -12 9  3  o 558.386 15.201 839.269   45.508  835.216   64.449  843.301   64.268  555.866 21.626 558.586 21.460 -2.719482      30.46677 
1 1 1 -12 9  5  f 246.266 14.772 163.777   19.414  170.527   26.954  156.501   27.985  250.517 20.242 239.616 22.031 10.90068       29.91794 
1 1 1 -12 9  7  o 224.489 17.096 136.580   20.421  105.134   25.012  199.441   35.364  195.529 24.391 270.194 24.685 -74.66597      34.70247 
1 1 1 -12 9  9  o 93.659  29.620 23.590    16.657  -1.3208   24.800  44.064    22.484  77.209  33.203 124.708 33.084 -47.49930      46.87236 
1 1 1 -12 9  11 o 142.969 26.913 57.378    19.872  0.0000    0.0000  57.378    19.872  ?       ?      142.969 26.913 0.000000       26.91291 
1 1 1 -12 9  13 o 243.002 22.804 161.620   29.362  209.779   46.709  130.157   37.754  274.569 32.352 215.022 33.870 59.54677       46.83832 
1 1 1 -12 9  15 o 156.930 18.878 67.607    15.565  76.240    17.942  41.347    31.292  166.446 20.541 123.411 40.728 43.03532       45.61520 
1 1 1 -12 9  17 o 125.287 23.331 44.149    15.095  41.430    17.795  51.124    28.505  120.427 28.078 133.126 38.039 -12.69839      47.27989 
1 1 1 -12 9  19 o 204.491 17.583 114.260   19.089  122.625   23.024  95.865    34.143  211.176 20.599 181.627 36.332 29.54907       41.76522 
1 1 1 -12 9  21 f 79.613  31.370 11.014    19.695  -1.8117   28.225  23.184    27.495  80.611  35.042 100.585 37.713 -19.97421      51.47977 
1 1 1 -12 9  23 o 136.455 26.146 53.353    18.432  44.945    21.473  76.887    35.926  123.723 32.098 158.979 41.650 -35.25595      52.58333 
1 1 1 -12 9  25 f 142.169 25.169 57.890    18.482  57.890    18.482  0.0000    0.0000  142.169 25.169 ?       ?      0.000000       25.16906 
1 1 1 -12 9  27 o 122.594 25.779 43.814    16.406  46.065    18.090  33.380    38.940  125.136 27.697 114.802 44.432 10.33490       52.35736 
1 1 1 -12 9  29 o 200.759 30.421 119.986   31.717  79.997    44.627  160.800   45.085  152.697 48.503 226.710 38.468 -74.01250      61.90562 
1 1 1 -12 9  31 o 190.245 23.750 105.342   23.697  142.785   34.182  70.698    32.880  216.959 30.206 144.668 40.688 72.29150       50.67434 
1 1 1 -12 9  33 f 62.160  29.291 -19.4099  25.288  -71.1667  47.781  0.7267    29.804  71.303  35.133 78.760  35.050 -7.457344      49.62659 
1 1 1 -12 9  35 o 155.923 38.154 83.970    31.635  114.646   55.650  69.324    38.452  161.097 54.339 134.666 45.170 26.43105       70.66183 
1 1 1 -12 9  37 o 170.970 34.228 99.138    30.279  108.721   44.413  90.816    41.390  160.810 47.919 147.496 46.695 13.31386       66.90797 
1 1 1 -12 9  39 o 122.403 43.081 65.988    35.098  4.1906    67.532  88.857    41.082  92.512  44.727 137.283 46.686 -44.77103      64.65393 
1 1 1 -12 10 2  o 318.773 20.311 276.135   34.531  0.0000    0.0000  276.135   34.531  ?       ?      318.773 20.311 0.000000       20.31058 
1 1 1 -12 10 4  o 214.841 17.655 125.438   20.156  97.888    34.888  139.240   24.693  185.311 36.415 225.896 20.616 -40.58533      41.84589 
1 1 1 -12 10 6  o 133.179 25.895 49.870    17.823  72.857    27.872  33.968    23.183  159.961 33.570 111.344 34.907 48.61704       48.42969 
1 1 1 -12 10 8  o 241.633 15.549 158.058   20.036  156.646   27.802  159.583   28.901  239.400 21.904 241.507 22.583 -2.106476      31.46076 
1 1 1 -12 10 10 o 508.244 21.530 700.698   58.667  735.125   81.971  664.544   84.003  517.048 29.695 490.467 32.123 26.58084       43.74583 
1 1 1 -12 10 12 o 145.234 21.399 58.450    16.163  56.611    19.436  62.572    29.105  141.737 26.553 147.171 36.943 -5.433868      45.49504 
1 1 1 -12 10 14 o 518.764 15.567 726.949   43.296  729.442   50.205  719.715   85.519  518.973 18.044 509.338 31.471 9.635193       36.27724 
1 1 1 -12 10 16 o 419.372 15.172 475.362   34.113  472.647   39.562  483.232   67.357  417.561 17.672 416.726 30.357 0.8350525      35.12620 
1 1 1 -12 10 18 o 210.890 17.299 121.473   19.387  128.705   22.376  99.698    38.827  216.592 19.478 183.553 40.538 33.03815       44.97428 
1 1 1 -12 10 20 o 156.582 29.617 70.469    23.953  97.878    35.885  48.444    32.168  181.992 38.004 129.325 41.189 52.66765       56.04382 
1 1 1 -12 10 22 o 61.084  25.754 1.8215    14.417  10.575    17.216  -18.7322  26.381  75.453  29.448 67.208  31.081 8.245407       42.81582 
1 1 1 -12 10 24 o 183.353 24.996 95.268    23.931  95.268    23.931  0.0000    0.0000  183.353 24.996 ?       ?      0.000000       24.99627 
1 1 1 -12 10 26 o 219.198 25.121 136.685   28.989  108.123   36.541  185.185   47.616  188.147 37.541 247.978 36.943 -59.83064      52.66992 
1 1 1 -12 10 28 o 121.407 33.319 45.416    22.344  29.641    26.156  88.018    42.983  102.570 37.067 160.977 46.924 -58.40697      59.79843 
1 1 1 -12 10 30 f 90.002  29.413 23.918    16.334  30.804    18.016  -7.8786   38.714  100.371 30.659 84.830  38.640 15.54108       49.32533 
1 1 1 -12 10 32 o 180.718 29.248 99.813    27.369  117.658   33.748  65.524    46.781  192.630 33.917 133.027 49.326 59.60252       59.86144 
1 1 1 -12 10 34 o 63.671  29.679 -14.4693  24.795  27.239    44.468  -33.2876  29.869  104.334 44.653 62.278  30.020 42.05635       53.80584 
1 1 1 -12 10 36 o 88.120  35.386 21.326    25.527  33.922    38.083  11.049    34.400  102.849 42.493 86.421  38.095 16.42762       57.06922 
1 1 1 -12 10 38 o 112.138 40.451 50.605    31.129  13.903    65.179  61.450    35.432  96.310  45.862 119.893 43.168 -23.58269      62.98302 
1 1 1 -12 11 1  o 88.981  25.167 22.210    12.543  32.779    16.388  7.2586    19.491  107.346 28.134 76.006  30.779 31.34028       41.69970 
1 1 1 -12 11 3  o 313.280 16.851 266.022   28.198  279.539   34.461  238.635   49.052  320.414 20.164 292.507 31.791 27.90692       37.64596 
1 1 1 -12 11 5  o 554.832 17.618 832.603   52.408  860.354   64.540  778.879   89.800  562.820 21.389 530.519 31.717 32.30164       38.25540 
1 1 1 -12 11 7  o 273.110 14.880 201.834   21.705  210.946   31.028  193.102   30.374  277.970 20.975 265.762 21.502 12.20898       30.03769 
1 1 1 -12 11 9  o 197.654 18.461 106.707   19.336  158.118   35.184  84.460    23.145  238.501 28.052 174.037 25.567 64.46335       37.95548 
1 1 1 -12 11 11 o 299.279 17.931 243.446   28.637  251.888   34.092  223.216   52.778  303.657 21.072 280.776 35.882 22.88171       41.61153 
1 1 1 -12 11 13 o 193.820 17.977 102.689   18.467  82.282    25.625  124.741   26.638  170.503 29.075 212.359 23.807 -41.85620      37.57858 
1 1 1 -12 11 15 o 163.182 24.633 74.576    20.880  104.455   24.420  -6.6591   40.265  193.858 24.009 93.467  41.207 100.3912       47.69134 
1 1 1 -12 11 17 o 126.920 27.237 46.167    17.979  42.989    20.416  57.145    37.945  121.797 31.144 140.044 44.750 -18.24800      54.52060 
1 1 1 -12 11 19 o 184.933 21.893 95.055    21.285  103.061   24.225  67.943    44.580  191.982 24.065 150.467 48.549 41.51521       54.18613 
1 1 1 -12 11 21 o 200.296 19.056 110.665   20.217  110.261   22.312  112.519   47.781  199.265 21.211 189.928 47.144 9.336884       51.69632 
1 1 1 -12 11 23 o 316.270 19.140 275.544   32.302  275.544   32.302  0.0000    0.0000  316.270 19.140 ?       ?      0.000000       19.14050 
1 1 1 -12 11 25 o 171.476 35.602 89.275    31.660  73.532    45.874  103.593   43.748  150.238 49.301 179.049 45.484 -28.81085      67.07750 
1 1 1 -12 11 27 o 125.356 38.630 49.602    28.531  41.304    34.503  67.544    50.735  117.350 42.548 141.611 51.556 -24.26098      66.84561 
1 1 1 -12 11 29 o 287.854 20.020 233.740   30.705  206.297   34.581  335.975   66.745  267.153 24.414 324.359 39.175 -57.20657      46.15961 
1 1 1 -12 11 31 o 127.045 29.152 49.722    19.435  50.097    20.891  47.305    52.986  126.554 31.029 122.583 50.327 3.971550       59.12314 
1 1 1 -12 11 33 o 51.778  24.328 -14.3802  17.220  -22.7065  17.913  86.976    62.498  48.600  23.381 142.803 56.004 -94.20297      60.68900 
1 1 1 -12 11 35 o 111.328 32.437 41.150    20.543  48.473    21.593  -28.7250  66.698  120.730 32.597 92.688  44.724 28.04166       55.34281 
1 1 1 -12 11 37 o 216.535 32.912 158.803   37.005  276.985   68.042  109.165   44.097  250.642 52.325 157.099 47.961 93.54274       70.98016 
1 1 1 -12 12 2  o 424.005 16.723 486.642   38.015  504.534   46.832  452.080   65.091  430.748 20.279 403.197 30.334 27.55130       36.48802 
1 1 1 -12 12 4  o 139.988 27.253 55.592    19.718  55.592    19.718  0.0000    0.0000  139.988 27.253 ?       ?      0.000000       27.25278 
1 1 1 -12 12 6  o 142.644 27.578 57.735    20.327  69.676    30.904  48.629    26.987  154.570 37.643 129.876 36.979 24.69406       52.76738 
1 1 1 -12 12 8  o 224.431 21.794 138.490   25.892  231.279   38.401  61.138    35.061  289.576 24.979 144.802 42.429 144.7735       49.23582 
1 1 1 -12 12 10 o 293.927 21.012 236.469   32.894  280.574   46.636  192.807   46.402  318.010 27.628 260.824 33.991 57.18619       43.80293 
1 1 1 -12 12 12 o 199.406 19.206 109.073   20.278  127.195   25.162  75.492    34.253  214.705 22.179 159.894 40.044 54.81166       45.77580 
1 1 1 -12 12 14 o 246.647 15.789 165.440   20.769  185.227   29.686  146.468   29.068  259.503 21.531 229.841 23.940 29.66222       32.19857 
1 1 1 -12 12 16 o 342.372 15.533 317.718   28.511  319.224   32.728  312.974   58.067  342.119 17.905 332.039 33.058 10.08038       37.59594 
1 1 1 -12 12 18 o 70.271  27.868 8.0128    15.637  20.028    17.226  -48.2591  37.279  87.713  30.221 70.755  33.959 16.95856       45.45928 
1 1 1 -12 12 20 o 290.971 16.261 231.135   25.265  207.455   28.243  325.997   56.527  274.589 19.307 337.836 31.575 -63.24619      37.01037 
1 1 1 -12 12 22 o 150.039 35.988 67.999    28.577  67.999    28.577  0.0000    0.0000  150.039 35.988 ?       ?      0.000000       35.98811 
1 1 1 -12 12 24 o 158.161 31.415 74.586    25.699  79.448    29.888  60.797    50.338  161.282 35.525 139.503 51.268 21.77945       62.37283 
1 1 1 -12 12 26 o 175.384 26.088 89.555    23.784  85.909    26.364  105.495   55.121  169.584 30.099 170.915 53.864 -1.331116      61.70304 
1 1 1 -12 12 28 o 86.544  33.118 18.324    21.462  24.658    23.458  -14.2266  53.178  94.879  34.978 95.695  44.210 -0.8164749     56.37383 
1 1 1 -12 12 30 o 119.568 35.222 45.700    24.105  51.387    26.292  15.723    60.363  125.939 36.696 110.914 49.581 15.02579       61.68386 
1 1 1 -12 12 32 f 128.948 32.298 53.075    22.280  49.448    24.011  75.557    59.773  123.046 34.827 137.885 54.548 -14.83897      64.71761 
1 1 1 -12 12 34 o 194.900 37.095 128.402   37.345  124.485   42.901  140.654   75.877  183.510 44.144 161.323 62.139 22.18661       76.22263 
1 1 1 -12 12 36 o 136.105 36.133 66.536    26.807  66.536    26.807  0.0000    0.0000  136.105 36.133 ?       ?      0.000000       36.13327 
1 1 1 -12 13 1  o 396.660 14.469 425.349   30.771  426.162   44.171  424.583   42.890  394.700 20.949 394.183 20.364 0.5173645      29.21557 
1 1 1 -12 13 3  o 254.626 14.651 175.835   19.916  173.443   28.716  178.052   27.645  251.208 21.529 254.863 20.403 -3.654678      29.66146 
1 1 1 -12 13 5  o 262.990 16.627 188.129   23.323  208.501   29.591  154.719   37.895  276.011 20.136 234.106 30.951 41.90579       36.92463 
1 1 1 -12 13 7  o 284.793 16.473 220.458   25.045  262.387   45.103  201.765   30.115  307.114 27.690 271.266 20.867 35.84766       34.67252 
1 1 1 -12 13 9  o 174.914 17.304 83.788    16.014  75.134    23.792  90.957    21.654  162.661 28.311 180.965 22.826 -18.30399      36.36676 
1 1 1 -12 13 11 o 109.033 24.760 33.938    14.144  40.028    20.726  28.630    19.350  117.691 32.003 101.392 31.907 16.29887       45.19139 
1 1 1 -12 13 13 o 210.051 19.787 121.361   22.021  131.776   27.184  101.483   37.555  217.808 23.660 185.325 39.030 32.48338       45.64143 
1 1 1 -12 13 15 o 218.285 16.620 130.169   19.304  161.939   28.488  103.195   26.250  241.943 22.210 191.409 26.272 50.53491       34.40273 
1 1 1 -12 13 17 o 176.587 22.185 87.048    20.540  78.073    25.464  103.761   34.749  164.468 29.983 187.725 35.834 -23.25688      46.72308 
1 1 1 -12 13 19 o 218.054 22.072 132.515   25.448  109.629   32.309  169.915   41.302  193.997 32.192 242.155 32.645 -48.15825      45.84836 
1 1 1 -12 13 21 o 140.855 48.222 61.608    43.832  61.608    43.832  0.0000    0.0000  140.855 48.222 ?       ?      0.000000       48.22211 
1 1 1 -12 13 23 o 204.572 19.921 116.999   21.572  112.235   25.056  130.645   42.407  198.505 24.033 204.629 40.089 -6.123291      46.74052 
1 1 1 -12 13 25 o 169.571 22.250 81.975    19.740  78.635    23.159  90.849    37.746  163.628 27.366 167.131 42.136 -3.502960      50.24251 
1 1 1 -12 13 27 o 247.784 18.996 171.820   25.043  178.212   28.791  151.948   50.762  250.845 21.619 212.887 45.831 37.95740       50.67424 
1 1 1 -12 13 29 o 164.012 30.067 81.637    25.464  69.944    27.880  140.468   62.537  148.208 35.546 189.344 56.962 -41.13626      67.14307 
1 1 1 -12 13 31 o 104.381 33.953 34.328    21.775  32.692    23.112  47.260    64.977  102.449 35.016 124.147 53.567 -21.69748      63.99619 
1 1 1 -12 13 33 o 85.777  32.664 20.477    20.813  17.334    22.067  45.794    62.630  83.324  33.087 117.584 51.630 -34.25968      61.32202 
1 1 1 -12 13 35 o 54.201  25.022 -8.1208   16.989  -14.7953  17.426  119.914   76.323  50.858  24.072 139.455 59.050 -88.59681      63.76829 
1 1 1 -12 14 2  o 245.768 14.926 164.111   19.574  180.357   29.032  150.570   26.505  255.957 21.351 233.706 21.391 22.25093       30.22306 
1 1 1 -12 14 4  o 578.933 15.701 908.180   48.733  920.068   69.276  896.533   68.568  579.567 22.295 572.072 22.356 7.494141       31.57319 
1 1 1 -12 14 6  o 435.547 17.007 514.982   39.713  666.899   69.569  441.551   48.367  490.594 26.548 400.789 22.602 89.80585       34.86633 
1 1 1 -12 14 8  o 232.022 15.911 146.607   19.673  157.981   29.355  137.334   26.506  238.853 23.217 222.777 22.501 16.07620       32.33090 
1 1 1 -12 14 10 o 369.459 21.380 374.858   42.169  344.158   59.542  405.752   59.729  348.717 32.212 380.408 29.518 -31.69089      43.69090 
1 1 1 -12 14 12 o 194.517 20.340 104.551   20.899  94.090    39.816  108.529   24.553  176.402 42.585 197.199 23.698 -20.79710      48.73435 
1 1 1 -12 14 14 o 372.623 22.316 383.398   44.376  346.532   64.309  416.908   61.312  346.868 35.062 384.194 30.004 -37.32596      46.14785 
1 1 1 -12 14 16 o 192.900 20.558 103.331   20.933  150.277   40.318  86.005    24.493  226.971 34.194 173.503 27.227 53.46832       43.70996 
1 1 1 -12 14 18 o 143.343 22.799 58.279    16.934  54.040    19.642  70.555    33.425  136.232 27.833 151.238 40.440 -15.00580      49.09208 
1 1 1 -12 14 20 o 197.997 43.405 123.743   44.805  123.743   44.805  0.0000    0.0000  197.997 43.405 ?       ?      0.000000       43.40532 
1 1 1 -12 14 22 o 70.293  28.090 8.3934    16.002  8.7657    18.551  7.3111    31.629  74.268  30.044 88.799  37.823 -14.53101      48.30329 
1 1 1 -12 14 24 f 82.051  30.873 16.031    18.458  19.947    22.502  7.9790    32.269  90.173  34.053 89.464  38.157 0.7095184      51.14230 
1 1 1 -12 14 26 o 58.082  26.656 -10.7050  18.885  -36.8589  22.461  52.373    34.882  51.417  25.072 127.879 43.022 -76.46202      49.79454 
1 1 1 -12 14 28 o 153.362 31.359 72.086    24.914  57.841    29.780  105.311   45.479  133.136 39.130 173.217 47.534 -40.08086      61.56804 
1 1 1 -12 14 30 o 191.022 25.132 107.611   25.113  113.662   28.862  88.748    50.956  193.895 28.625 151.122 51.983 42.77318       59.34306 
1 1 1 -12 14 32 o 149.766 30.263 70.978    23.464  65.989    24.772  114.491   73.165  142.112 33.125 150.992 60.154 -8.880188      68.67197 
1 1 1 -12 15 1  o 143.729 19.723 57.511    14.797  61.413    23.749  55.036    18.918  145.042 31.448 138.630 26.417 6.411270       41.07103 
1 1 1 -12 15 3  o 238.734 15.662 155.363   19.935  163.189   30.613  149.601   26.267  242.100 23.897 232.609 21.299 9.490097       32.01180 
1 1 1 -12 15 5  o 116.597 21.931 38.480    13.206  38.323    20.844  38.586    17.069  114.809 32.433 115.479 27.885 -0.6698227     42.77253 
1 1 1 -12 15 7  o 215.303 16.057 126.597   18.401  137.848   27.215  117.121   24.975  222.589 23.143 205.004 23.128 17.58531       32.71858 
1 1 1 -12 15 9  o 247.037 18.997 167.694   24.968  162.244   31.259  177.298   41.497  241.018 24.533 248.794 31.841 -7.776276      40.19632 
1 1 1 -12 15 11 o 185.412 18.292 94.766    17.947  99.278    26.451  90.918    24.430  186.845 27.204 179.022 26.231 7.823639       37.79072 
1 1 1 -12 15 13 o 281.566 17.784 217.448   26.708  210.720   45.952  220.881   32.822  270.288 32.354 282.172 21.867 -11.88315      39.05005 
1 1 1 -12 15 15 o 208.577 21.251 121.240   23.432  134.901   29.625  98.413    38.294  218.231 25.821 178.969 40.815 39.26161       48.29647 
1 1 1 -12 15 17 o 190.161 21.603 101.341   21.634  93.465    44.753  103.742   24.713  170.286 47.319 191.198 24.685 -20.91164      53.37111 
1 1 1 -12 15 19 f 192.858 23.721 105.394   24.009  105.394   24.009  0.0000    0.0000  192.858 23.721 ?       ?      0.000000       23.72050 
1 1 1 -12 15 21 o 86.936  29.625 20.672    16.543  2.6887    19.079  75.149    33.206  69.263  29.435 154.786 39.794 -85.52341      49.49756 
1 1 1 -12 15 23 o 256.516 24.195 186.938   32.881  190.611   43.217  181.888   50.669  253.496 32.551 241.452 40.581 12.04401       52.02324 
1 1 1 -12 15 25 o 137.620 31.273 57.518    22.550  48.355    26.955  78.889    41.164  124.203 37.404 153.124 46.248 -28.92120      59.48049 
1 1 1 -12 15 27 o 86.831  34.356 16.713    23.715  16.713    23.715  0.0000    0.0000  86.831  34.356 ?       ?      0.000000       34.35627 
1 1 1 -12 15 29 o 54.612  25.711 -16.7898  19.404  -9.9162   22.515  -36.6369  38.258  63.665  29.176 72.012  34.520 -8.347450      45.19826 
1 1 1 -12 15 31 o 115.687 35.089 44.776    23.660  52.124    26.761  18.464    50.637  123.253 37.303 102.032 45.525 21.22089       58.85662 
1 1 1 -12 16 2  o 237.266 15.799 153.863   19.982  186.292   29.463  126.242   27.191  259.196 21.393 211.944 24.373 47.25146       32.43027 
1 1 1 -12 16 4  o 138.790 23.396 54.652    16.790  66.205    34.431  51.048    19.231  147.183 41.721 132.652 27.924 14.53137       50.20395 
1 1 1 -12 16 6  o 149.650 20.908 62.704    16.317  75.936    28.766  56.427    19.812  159.975 34.550 139.790 27.415 20.18489       44.10536 
1 1 1 -12 16 8  o 169.082 20.180 79.571    17.932  79.818    30.119  79.435    22.319  163.697 35.352 167.075 25.743 -3.377945      43.73217 
1 1 1 -12 16 10 o 178.183 18.392 87.780    17.317  102.259   24.152  72.464    24.841  190.481 24.196 157.565 30.509 32.91609       38.93876 
1 1 1 -12 16 12 o 137.501 31.651 55.910    22.849  53.613    32.253  58.225    32.375  133.085 41.083 138.132 40.855 -5.046921      57.93969 
1 1 1 -12 16 14 o 197.480 20.746 108.669   21.636  43.092    38.070  139.956   26.296  123.814 44.723 223.779 22.211 -99.96477      49.93510 
1 1 1 -12 16 16 o 191.178 23.824 103.269   23.889  110.101   29.705  90.762    40.192  195.056 29.312 169.686 43.860 25.37056       52.75304 
1 1 1 -12 16 18 o 158.630 26.504 72.560    21.746  80.016    26.603  57.547    37.751  164.667 31.277 136.418 44.721 28.24886       54.57310 
1 1 1 -12 16 20 o 199.463 24.072 112.928   25.221  90.179    31.204  155.797   42.834  172.802 34.884 227.461 36.348 -54.65941      50.37921 
1 1 1 -12 16 22 o 248.045 21.413 172.676   28.197  168.490   34.154  181.637   49.969  242.012 26.771 242.017 39.902 -0.5233765E-02 48.05040 
1 1 1 -12 16 24 o 91.696  32.711 22.950    20.300  33.895    23.633  -7.8571   39.649  106.532 35.406 87.513  39.561 19.01888       53.09091 
1 1 1 -12 16 26 o 110.378 36.500 37.801    25.127  37.801    25.127  0.0000    0.0000  110.378 36.500 ?       ?      0.000000       36.50011 
1 1 1 -12 16 28 o 87.583  33.631 19.865    22.180  18.202    25.595  24.880    44.442  88.547  35.476 105.485 44.880 -16.93855      57.20799 
1 1 1 -12 17 1  o 178.190 20.291 88.338    19.039  85.244    38.120  89.367    21.977  166.078 42.604 178.125 23.593 -12.04729      48.70058 
1 1 1 -12 17 3  o 319.151 17.842 279.242   30.407  317.347   38.064  212.044   50.548  338.847 21.057 268.893 35.964 69.95352       41.67527 
1 1 1 -12 17 5  o 347.938 23.007 336.419   42.676  336.419   42.676  0.0000    0.0000  347.938 23.007 ?       ?      0.000000       23.00749 
1 1 1 -12 17 7  o 225.349 19.666 140.360   23.522  178.316   29.583  75.116    38.786  253.280 22.004 155.595 44.343 97.68498       49.50216 
1 1 1 -12 17 9  o 280.015 18.523 215.560   27.651  219.299   34.064  208.338   47.346  280.650 22.837 267.791 33.726 12.85907       40.73027 
1 1 1 -12 17 11 o 193.871 25.157 106.324   25.532  103.733   34.956  109.286   37.381  186.512 36.264 190.736 37.891 -4.224365      52.44805 
1 1 1 -12 17 13 o 206.564 25.677 120.907   27.822  0.0000    0.0000  120.907   27.822  ?       ?      206.564 25.677 0.000000       25.67676 
1 1 1 -12 17 15 f 129.805 31.728 50.070    21.894  51.773    32.781  48.698    29.416  130.748 41.574 127.109 39.235 3.638489       57.16411 
1 1 1 -12 17 17 f 137.876 34.449 57.408    25.392  35.283    33.517  87.212    38.901  114.045 41.846 166.199 43.243 -52.15354      60.17526 
1 1 1 -12 17 19 o 110.882 28.431 36.383    16.981  80.699    26.582  5.8277    22.073  164.982 31.195 76.460  32.031 88.52168       44.71191 
1 1 1 -12 17 21 o 187.565 22.548 99.811    22.220  97.634    26.098  105.549   42.363  183.153 27.422 180.164 44.193 2.988693       52.00940 
1 1 1 -12 17 23 o 125.570 30.639 47.965    20.445  42.752    23.363  65.011    42.243  117.507 34.693 139.394 47.342 -21.88709      58.69288 
1 1 1 -12 17 25 o 183.520 46.375 117.049   45.648  117.049   45.648  0.0000    0.0000  183.520 46.375 ?       ?      0.000000       46.37494 
1 1 1 -12 18 2  o 65.087  25.688 7.1802    13.226  -11.4402  24.653  14.706    15.673  68.351  31.018 78.493  28.643 -10.14202      42.21991 
1 1 1 -12 18 4  o 132.204 28.361 50.879    19.500  49.436    26.718  52.524    28.524  128.533 36.860 132.153 38.140 -3.619370      53.04107 
1 1 1 -12 18 6  o 264.893 18.963 193.237   26.752  213.443   35.225  165.699   41.123  276.306 24.018 238.849 32.995 37.45773       40.81067 
1 1 1 -12 18 8  o 152.281 21.705 65.171    17.219  70.487    27.314  61.665    22.181  153.995 33.993 145.430 29.458 8.564362       44.98148 
1 1 1 -12 18 10 o 155.964 20.566 68.046    16.777  86.322    26.436  55.721    21.709  172.555 29.644 137.748 30.226 34.80719       42.33633 
1 1 1 -12 18 12 o 279.742 19.829 216.339   29.546  255.851   57.126  201.908   34.523  293.922 37.077 268.189 24.273 25.73245       44.31556 
1 1 1 -12 18 14 o 208.086 29.031 124.957   31.505  124.957   31.505  0.0000    0.0000  208.086 29.031 ?       ?      0.000000       29.03083 
1 1 1 -12 18 16 o 109.818 30.824 35.770    18.890  52.809    26.905  19.204    26.529  131.441 36.749 93.865  36.577 37.57561       51.84949 
1 1 1 -12 18 18 o 111.451 29.930 37.062    18.262  40.452    32.507  35.499    22.075  117.488 41.449 109.184 34.035 8.303482       53.63220 
1 1 1 -12 18 20 o 214.607 42.685 147.663   47.384  0.0000    0.0000  147.663   47.384  ?       ?      214.607 42.685 0.000000       42.68484 
1 1 1 -12 18 22 o 107.267 38.949 33.518    28.929  38.427    41.721  28.973    40.147  116.700 45.760 109.087 44.175 7.612427       63.60358 
1 1 1 -12 19 1  o 187.889 23.451 99.624    23.109  157.510   61.631  90.154    24.928  218.002 53.200 177.141 27.110 40.86137       59.70914 
1 1 1 -12 19 3  o 208.392 22.269 121.602   24.495  121.256   62.759  121.664   26.605  188.738 57.127 207.592 24.368 -18.85379      62.10725 
1 1 1 -12 19 5  o 112.192 30.594 37.102    18.909  -33.9099  59.273  45.147    19.952  98.613  45.940 123.621 30.332 -25.00789      55.04984 
1 1 1 -12 19 7  o 267.651 22.637 200.071   32.179  0.0000    0.0000  200.071   32.179  ?       ?      267.651 22.637 0.000000       22.63735 
1 1 1 -12 19 9  o 226.973 21.346 143.662   25.670  236.997   57.563  120.493   28.679  280.585 39.347 205.472 26.663 75.11316       47.53027 
1 1 1 -12 19 11 o 229.399 22.545 147.557   27.369  198.126   77.654  140.384   29.246  237.388 60.759 222.629 24.931 14.75919       65.67525 
1 1 1 -12 19 13 o 164.641 40.057 84.462    35.021  162.813   77.319  64.240    39.281  210.460 63.343 142.481 45.531 67.97920       78.00898 
1 1 1 -12 19 15 o 76.274  31.177 8.4324    20.222  -66.7065  52.052  21.789    21.946  80.509  39.007 92.284  33.861 -11.77518      51.65371 
1 1 1 -12 19 17 o 56.493  25.667 -8.1253   16.946  0.0000    0.0000  -8.1253   16.946  ?       ?      56.493  25.667 0.000000       25.66709 
1 1 1 -12 20 2  o 192.114 36.487 111.975   36.207  116.721   68.627  110.145   42.621  180.401 60.346 186.159 43.489 -5.758102      74.38370 
1 1 1 -12 20 4  o 114.769 38.963 38.491    28.613  85.895    66.618  27.768    31.685  159.942 58.948 105.708 40.290 54.23439       71.40163 
1 1 1 -12 20 6  o 153.188 36.374 71.779    29.429  231.507   71.114  38.773    32.326  264.820 51.944 116.390 41.304 148.4301       66.36408 
1 1 1 -12 20 8  o 148.592 35.349 67.306    27.751  93.306    48.431  54.597    33.861  167.458 50.072 132.627 42.262 34.83156       65.52257 
1 1 1 -11 0  1  o 120.693 25.463 43.959    14.500  43.959    14.500  43.959    14.500  120.693 25.463 120.693 25.463 0.000000       0.000000 
1 1 1 -11 0  3  o 152.134 19.281 65.060    15.038  65.060    15.038  65.060    15.038  152.134 19.281 152.134 19.281 0.000000       0.000000 
1 1 1 -11 0  5  o 91.486  30.084 28.732    13.095  28.732    13.095  28.732    13.095  91.486  30.084 91.486  30.084 -0.000000      0.000000 
1 1 1 -11 0  7  o 227.914 20.127 142.708   24.153  142.708   24.153  142.708   24.153  227.914 20.127 227.914 20.127 0.000000       0.000000 
1 1 1 -11 0  9  o 222.382 29.645 139.927   33.587  139.927   33.587  139.927   33.587  222.382 29.645 222.382 29.645 -0.000000      0.000000 
1 1 1 -11 0  11 o 576.957 21.752 898.036   67.068  898.036   67.068  898.036   67.068  576.957 21.752 576.957 21.752 0.000000       0.000000 
1 1 1 -11 0  13 o 104.729 40.191 40.209    21.336  40.209    21.336  40.209    21.336  104.729 40.191 104.729 40.191 -0.000000      0.000000 
1 1 1 -11 0  15 o 1111.77 43.448 3361.75   258.073 3361.75   258.073 3361.75   258.073 1111.77 43.448 1111.77 43.448 0.000000       0.000000 
1 1 1 -11 0  17 o 171.827 25.762 84.573    22.160  84.573    22.160  84.573    22.160  171.827 25.762 171.827 25.762 0.000000       0.000000 
1 1 1 -11 0  19 o 244.636 22.492 164.965   28.927  164.965   28.927  164.965   28.927  244.636 22.492 244.636 22.492 -0.000000      0.000000 
1 1 1 -11 0  21 o 49.450  32.655 -4.8907   22.397  -4.8907   22.397  -4.8907   22.397  49.450  32.655 49.450  32.655 -0.000000      0.000000 
1 1 1 -11 0  23 o 629.346 23.296 1071.13   78.358  1071.13   78.358  1071.13   78.358  629.346 23.296 629.346 23.296 0.000000       0.000000 
1 1 1 -11 0  25 o 266.299 22.960 195.451   32.219  195.451   32.219  195.451   32.219  266.299 22.960 266.299 22.960 0.000000       0.000000 
1 1 1 -11 0  27 o 201.682 27.735 116.306   28.376  116.306   28.376  116.306   28.376  201.682 27.735 201.682 27.735 0.000000       0.000000 
1 1 1 -11 0  29 o 222.780 26.932 140.710   30.918  140.710   30.918  140.710   30.918  222.780 26.932 222.780 26.932 0.000000       0.000000 
1 1 1 -11 0  31 o 116.589 51.783 55.471    34.216  55.471    34.216  55.471    34.216  116.589 51.783 116.589 51.783 0.000000       0.000000 
1 1 1 -11 0  33 o 174.175 36.068 93.705    29.721  93.705    29.721  93.705    29.721  174.175 36.068 174.175 36.068 -0.000000      0.000000 
1 1 1 -11 0  35 o 85.252  51.793 24.642    44.126  24.642    44.126  24.642    44.126  85.252  51.793 85.252  51.793 -0.000000      0.000000 
1 1 1 -11 0  37 o 92.725  47.341 37.931    29.685  37.931    29.685  37.931    29.685  92.725  47.341 92.725  47.341 0.000000       0.000000 
1 1 1 -11 0  39 o 107.476 50.350 51.143    32.475  51.143    32.475  51.143    32.475  107.476 50.350 107.476 50.350 -0.000000      0.000000 
1 1 1 -11 0  41 o 39.513  28.542 -53.5750  31.196  -53.5750  31.196  -53.5750  31.196  39.513  28.542 39.513  28.542 0.000000       0.000000 
1 1 1 -11 0  43 o 51.778  36.203 -28.3193  37.197  -28.3193  37.197  -28.3193  37.197  51.778  36.203 51.778  36.203 -0.000000      0.000000 
1 1 1 -11 0  45 o 76.861  53.469 -20.5316  78.370  -20.5316  78.370  -20.5316  78.370  76.861  53.469 76.861  53.469 -0.000000      0.000000 
1 1 1 -11 1  2  o 1191.70 25.860 3827.24   165.220 3747.12   202.348 3987.50   286.181 1177.49 32.053 1210.29 44.104 -32.79834      54.52139 
1 1 1 -11 1  4  o 679.970 16.214 1241.99   59.108  1235.74   68.304  1260.64   117.949 678.015 18.790 682.980 32.212 -4.965027      37.29186 
1 1 1 -11 1  6  o 1324.13 34.367 4743.91   243.976 4877.28   345.135 4610.71   344.935 1336.67 48.161 1298.95 49.530 37.71594       69.08490 
1 1 1 -11 1  8  o 1295.14 33.763 4537.77   234.440 4414.77   331.320 4661.11   331.778 1271.27 48.612 1306.88 47.352 -35.61121      67.86260 
1 1 1 -11 1  10 o 1003.09 19.897 2706.26   107.002 2625.26   151.299 2787.30   151.348 986.219 28.615 1016.40 27.774 -30.18213      39.87743 
1 1 1 -11 1  12 o 663.395 22.888 1185.40   81.406  1185.40   81.406  0.0000    0.0000  663.395 22.888 ?       ?      0.000000       22.88834 
1 1 1 -11 1  14 f 306.715 16.223 253.556   26.582  237.286   32.025  289.596   47.663  296.215 20.288 326.299 27.502 -30.08405      34.17491 
1 1 1 -11 1  16 o 424.876 14.490 485.076   33.007  478.599   46.162  491.852   47.215  421.531 20.426 427.309 20.609 -5.778229      29.01672 
1 1 1 -11 1  18 o 745.753 19.883 1498.48   79.498  1424.13   137.540 1535.79   97.420  722.999 35.483 754.078 24.097 -31.07861      42.89191 
1 1 1 -11 1  20 o 1224.32 32.809 4082.22   215.360 4038.51   304.497 4125.97   304.632 1207.81 47.023 1221.22 46.528 -13.41321      66.15152 
1 1 1 -11 1  22 o 462.096 17.142 575.425   42.469  548.463   51.407  633.385   75.371  450.501 21.284 481.531 29.335 -31.03024      36.24289 
1 1 1 -11 1  24 o 291.304 16.043 229.564   24.959  292.055   35.059  165.345   35.540  327.900 20.039 244.668 27.575 83.23199       34.08737 
1 1 1 -11 1  26 o 296.752 24.464 242.603   38.575  233.229   54.425  252.066   54.682  286.408 36.256 298.531 34.819 -12.12259      50.26793 
1 1 1 -11 1  28 o 107.537 29.842 33.416    17.812  10.045    30.152  45.943    22.075  91.466  37.802 125.257 32.569 -33.79089      49.89697 
1 1 1 -11 1  30 o 63.638  26.986 1.8031    15.978  10.586    21.444  -9.1581   23.957  80.534  32.400 68.489  30.875 12.04492       44.75482 
1 1 1 -11 1  32 o 365.848 15.912 366.968   31.210  369.373   44.356  364.610   43.922  362.080 22.968 359.790 22.889 2.289886       32.42591 
1 1 1 -11 1  34 o 264.473 18.051 195.366   25.442  227.329   36.280  164.437   35.689  280.903 24.330 235.318 28.895 45.58548       37.77435 
1 1 1 -11 1  36 o 119.687 42.381 50.168    34.015  47.722    48.407  52.553    47.808  118.351 48.289 121.418 48.542 -3.067024      68.47073 
1 1 1 -11 1  38 o 59.845  27.434 -6.6379   19.927  17.683    27.749  -32.5367  28.635  85.380  35.849 59.480  28.845 25.90040       46.01285 
1 1 1 -11 1  40 o 91.765  37.468 27.824    29.168  11.102    40.235  46.346    42.345  86.136  39.295 105.857 44.357 -19.72129      59.25934 
1 1 1 -11 1  42 o 57.618  27.722 -20.1346  25.194  -40.4586  35.059  1.5669    36.228  61.149  30.123 76.310  35.672 -15.16077      46.68890 
1 1 1 -11 1  44 o 93.722  45.773 75.666    75.695  75.666    75.695  0.0000    0.0000  93.722  45.773 ?       ?      0.000000       45.77295 
1 1 1 -11 2  1  o 1029.70 28.817 2861.56   159.084 2857.60   225.087 2865.51   224.872 1025.47 40.941 1026.92 40.844 -1.450928      57.83077 
1 1 1 -11 2  3  o 913.523 26.723 2249.84   130.882 2180.65   185.058 2319.09   185.132 896.635 38.497 924.982 37.332 -28.34717      53.62496 
1 1 1 -11 2  5  o 533.498 16.102 764.543   46.056  878.496   56.649  542.374   79.099  571.689 18.482 446.644 33.271 125.0457       38.05988 
1 1 1 -11 2  7  o 447.804 16.225 538.689   38.953  586.998   47.925  444.640   66.869  467.259 19.131 404.536 31.069 62.72287       36.48643 
1 1 1 -11 2  9  o 520.102 20.958 727.799   58.439  727.799   58.439  0.0000    0.0000  520.102 20.958 ?       ?      0.000000       20.95754 
1 1 1 -11 2  11 o 496.065 14.463 660.898   38.464  594.620   54.023  729.042   54.778  470.007 21.439 520.602 19.626 -50.59467      29.06560 
1 1 1 -11 2  13 o 428.702 16.636 494.008   38.236  496.640   46.438  488.469   67.376  429.568 20.164 423.997 29.829 5.571259       36.00513 
1 1 1 -11 2  15 o 684.646 19.045 1261.54   69.905  1232.27   121.055 1276.19   85.624  673.859 33.508 687.946 23.215 -14.08698      40.76398 
1 1 1 -11 2  17 o 847.430 21.001 1935.58   95.417  1886.06   165.100 1960.42   116.920 831.775 37.023 851.726 25.605 -19.95087      45.01435 
1 1 1 -11 2  19 o 363.003 16.821 354.629   32.737  342.820   56.205  360.693   40.274  354.197 29.877 365.155 20.657 -10.95779      36.32234 
1 1 1 -11 2  21 o 655.651 18.594 1158.91   65.361  1120.21   80.005  1236.58   113.337 643.599 23.186 673.751 31.376 -30.15143      39.01376 
1 1 1 -11 2  23 o 448.082 15.333 540.896   36.835  562.873   51.894  518.578   52.294  456.061 21.224 436.960 22.398 19.10043       30.85605 
1 1 1 -11 2  25 o 137.413 37.110 54.526    27.982  51.087    39.485  57.997    39.660  136.484 45.773 143.110 45.752 -6.626007      64.71838 
1 1 1 -11 2  27 o 330.423 15.794 295.904   27.980  293.667   39.746  298.102   39.395  326.488 22.851 329.104 22.461 -2.616180      32.04179 
1 1 1 -11 2  29 o 229.234 17.740 144.371   21.633  162.975   30.743  126.124   30.447  241.268 24.089 210.520 27.644 30.74812       36.66740 
1 1 1 -11 2  31 o 189.022 26.590 102.813   26.201  112.290   37.815  94.061    36.338  191.266 38.214 173.727 39.861 17.53856       55.21911 
1 1 1 -11 2  33 o 204.252 19.691 117.223   21.295  130.074   30.923  105.631   29.369  210.506 28.102 188.224 30.118 22.28232       41.19258 
1 1 1 -11 2  35 o 427.464 25.082 533.200   57.230  484.609   80.707  582.345   81.167  385.069 39.661 429.760 35.546 -44.69089      53.25901 
1 1 1 -11 2  37 o 159.245 27.831 79.273    22.896  92.199    32.714  66.861    32.056  162.017 38.272 134.489 40.855 27.52794       55.98075 
1 1 1 -11 2  39 o 120.866 39.597 56.714    29.597  41.926    41.634  71.822    42.084  104.838 43.959 126.386 46.800 -21.54782      64.20796 
1 1 1 -11 2  41 o 235.747 28.262 182.771   35.009  275.486   69.726  151.518   40.482  231.906 56.582 198.343 39.457 33.56245       68.98099 
1 1 1 -11 2  43 o 86.692  38.400 28.956    35.371  34.202    69.804  27.143    41.029  91.008  44.339 86.419  39.523 4.589493       59.39732 
1 1 1 -11 2  45 o 88.052  43.848 94.540    82.140  94.540    82.140  0.0000    0.0000  88.052  43.848 ?       ?      0.000000       43.84766 
1 1 1 -11 3  2  o 872.862 21.185 2049.99   99.140  2066.30   121.484 2017.46   171.538 875.526 25.881 862.599 37.092 12.92694       45.22879 
1 1 1 -11 3  4  o 411.465 19.273 455.222   42.516  531.135   61.240  384.584   59.073  443.169 25.887 376.300 29.518 66.86896       39.26133 
1 1 1 -11 3  6  o 798.414 17.417 1713.08   74.552  1762.20   86.119  1566.21   148.929 809.478 19.844 760.210 36.541 49.26819       41.58113 
1 1 1 -11 3  8  o 1305.41 27.371 4597.20   191.561 4909.06   234.715 3975.10   331.506 1347.22 32.496 1204.31 51.343 142.9021       60.76267 
1 1 1 -11 3  10 o 877.702 26.222 2077.85   123.391 2077.85   123.391 0.0000    0.0000  877.702 26.222 ?       ?      0.000000       26.22205 
1 1 1 -11 3  12 o 532.356 17.360 761.936   49.548  772.857   60.392  739.447   86.661  535.792 21.024 521.852 31.116 13.93982       37.55283 
1 1 1 -11 3  14 o 477.120 16.855 612.095   43.115  553.393   73.800  642.513   53.124  451.065 30.700 488.498 20.284 -37.43320      36.79573 
1 1 1 -11 3  16 o 243.977 21.317 161.637   27.604  173.906   38.892  149.182   39.184  251.755 29.367 232.312 32.338 19.44351       43.68219 
1 1 1 -11 3  18 o 640.155 18.607 1103.63   63.859  1063.70   110.037 1123.91   78.415  624.549 32.980 645.287 22.666 -20.73779      40.01753 
1 1 1 -11 3  20 o 433.575 16.936 506.175   39.368  501.564   48.443  515.141   67.557  431.088 20.960 434.570 29.165 -3.481903      35.91563 
1 1 1 -11 3  22 o 547.026 15.417 805.864   45.214  731.740   63.446  882.350   64.449  519.851 22.764 571.263 21.043 -51.41266      31.00037 
1 1 1 -11 3  24 o 204.555 22.764 115.077   24.542  88.998    41.781  128.815   30.325  174.330 44.540 215.565 26.819 -41.23512      51.99064 
1 1 1 -11 3  26 o 376.885 18.293 385.770   36.963  381.704   63.899  387.815   45.313  368.433 32.689 375.974 22.585 -7.540588      39.73207 
1 1 1 -11 3  28 o 197.868 22.016 108.948   22.959  34.947    37.305  154.066   29.129  117.874 43.980 235.173 23.414 -117.2985      49.82465 
1 1 1 -11 3  30 o 312.789 22.535 273.144   37.537  210.304   52.795  337.384   53.380  264.516 38.346 343.251 29.287 -78.73431      48.25095 
1 1 1 -11 3  32 o 98.781  30.335 28.800    17.610  20.811    24.512  37.322    25.316  92.757  35.418 111.459 36.627 -18.70210      50.95023 
1 1 1 -11 3  34 o 90.534  30.644 23.827    17.699  17.628    25.682  29.435    24.425  89.096  35.593 100.270 35.869 -11.17413      50.53185 
1 1 1 -11 3  36 o 165.160 31.620 86.925    26.979  66.958    32.072  135.237   49.890  137.037 40.695 186.396 49.202 -49.35956      63.85088 
1 1 1 -11 3  38 o 168.970 26.923 89.719    23.571  75.839    34.556  101.797   32.235  138.768 42.473 170.272 36.413 -31.50406      55.94558 
1 1 1 -11 3  40 o 119.365 43.506 61.526    36.143  36.590    46.003  101.741   58.422  100.457 44.176 133.254 53.524 -32.79669      69.39977 
1 1 1 -11 3  42 o 120.805 37.784 60.349    27.180  78.712    40.366  45.119    36.762  123.265 45.797 99.962  41.562 23.30241       61.84440 
1 1 1 -11 3  44 o 89.136  42.196 48.194    53.591  8.4660    75.001  89.636    76.602  81.280  40.692 95.192  46.393 -13.91141      61.71005 
1 1 1 -11 4  1  o 760.243 17.061 1553.39   69.538  1581.92   98.330  1524.85   98.354  766.226 23.936 752.202 24.389 14.02344       34.17249 
1 1 1 -11 4  3  o 555.776 21.306 831.294   63.484  819.270   89.870  843.270   89.690  549.759 30.612 557.880 30.098 -8.120850      42.93042 
1 1 1 -11 4  5  o 222.757 19.722 134.500   23.310  152.823   32.442  114.947   33.513  236.677 25.995 203.844 31.695 32.83276       40.99195 
1 1 1 -11 4  7  o 523.616 14.831 736.392   41.634  769.705   48.075  636.443   83.272  535.186 16.755 483.992 32.277 51.19348       36.36618 
1 1 1 -11 4  9  o 670.460 18.708 1208.89   67.248  1184.36   82.254  1258.33   116.785 663.058 23.139 681.935 31.943 -18.87634      39.44285 
1 1 1 -11 4  11 o 734.231 19.453 1450.50   76.574  1450.50   76.574  0.0000    0.0000  734.231 19.453 ?       ?      0.000000       19.45269 
1 1 1 -11 4  13 o 672.494 18.746 1216.88   67.588  1169.45   82.505  1313.63   117.850 658.577 23.367 696.330 31.568 -37.75262      39.27510 
1 1 1 -11 4  15 o 559.066 17.892 841.006   53.629  866.173   92.119  828.104   65.958  564.546 30.549 554.200 22.199 10.34631       37.76279 
1 1 1 -11 4  17 o 470.499 21.087 596.858   53.191  597.576   75.649  596.157   74.804  468.407 30.286 467.923 29.976 0.4845276      42.61197 
1 1 1 -11 4  19 o 338.619 14.970 308.402   27.178  305.227   38.245  311.642   38.629  335.626 21.366 339.151 21.354 -3.524933      30.20708 
1 1 1 -11 4  21 o 156.080 23.719 67.429    19.223  64.965    31.648  68.870    24.198  150.783 38.894 156.498 29.931 -5.715179      49.07735 
1 1 1 -11 4  23 o 641.952 16.314 1112.01   56.149  1124.66   79.265  1099.28   79.549  643.515 22.975 636.085 23.327 7.429504       32.74092 
1 1 1 -11 4  25 o 134.636 34.292 52.521    24.821  28.878    35.231  75.821    34.975  113.186 42.640 160.500 40.612 -47.31413      58.88572 
1 1 1 -11 4  27 f 225.553 18.350 139.539   21.998  131.508   30.088  148.761   32.243  216.287 26.502 230.164 26.620 -13.87714      37.56301 
1 1 1 -11 4  29 o 144.300 24.344 59.396    18.163  49.782    24.778  70.561    26.702  128.899 34.968 154.135 33.287 -25.23650      48.27773 
1 1 1 -11 4  31 o 426.403 15.790 497.744   36.098  469.480   50.870  526.411   51.232  408.565 23.320 433.715 22.106 -25.14981      32.13254 
1 1 1 -11 4  33 o 85.331  30.735 19.479    17.962  -3.0887   24.011  48.154    27.066  71.181  31.579 123.186 37.568 -52.00497      49.07684 
1 1 1 -11 4  35 o 179.179 35.041 103.500   32.455  111.763   42.428  91.846    50.389  176.829 44.723 152.122 51.705 24.70686       68.36373 
1 1 1 -11 4  37 o 169.416 27.004 89.246    23.704  93.263    33.812  85.364    33.240  160.851 39.497 152.881 40.068 7.969894       56.26273 
1 1 1 -11 4  39 o 138.234 35.752 68.667    26.695  45.019    35.467  99.573    40.546  107.489 42.178 153.467 45.798 -45.97875      62.26111 
1 1 1 -11 4  41 o 71.924  33.034 0.2229    29.081  -33.8832  61.142  10.194    33.060  80.800  39.798 80.031  36.156 0.7684555      53.76965 
1 1 1 -11 4  43 o 83.213  38.438 22.272    40.175  -120.4311 101.520 48.770    43.746  76.945  39.390 95.588  42.505 -18.64355      57.95070 
1 1 1 -11 5  2  o 219.239 13.789 129.587   16.125  121.708   22.526  137.866   23.093  211.736 20.084 225.571 19.280 -13.83539      27.84061 
1 1 1 -11 5  4  o 437.348 28.625 518.782   66.749  0.0000    0.0000  518.782   66.749  ?       ?      437.348 28.625 0.000000       28.62532 
1 1 1 -11 5  6  o 326.762 20.078 288.368   35.003  314.523   48.431  259.763   50.648  340.373 26.755 308.393 31.055 31.97943       40.99126 
1 1 1 -11 5  8  o 92.559  21.278 23.987    10.338  32.930    12.285  2.2849    19.136  108.666 21.844 71.269  29.838 37.39717       36.97969 
1 1 1 -11 5  10 o 759.263 19.971 1551.57   81.294  1551.57   81.294  0.0000    0.0000  759.263 19.971 ?       ?      0.000000       19.97079 
1 1 1 -11 5  12 o 557.879 15.188 836.377   45.428  832.777   52.402  847.267   91.135  556.443 17.565 558.580 30.548 -2.136169      35.23772 
1 1 1 -11 5  14 o 615.150 15.793 1017.35   52.086  1032.36   60.137  972.297   104.206 619.386 18.110 597.673 32.644 21.71301       37.33093 
1 1 1 -11 5  16 o 522.475 17.698 734.716   49.575  713.291   85.210  745.679   60.953  511.724 31.208 525.839 21.621 -14.11539      37.96569 
1 1 1 -11 5  18 o 436.513 14.779 512.420   34.588  501.530   48.389  523.796   49.457  431.156 20.934 440.622 20.936 -9.466400      29.60634 
1 1 1 -11 5  20 o 253.831 18.300 174.636   24.737  149.745   30.536  222.150   42.190  233.809 24.736 284.564 28.017 -50.75485      37.37442 
1 1 1 -11 5  22 o 120.531 26.134 41.061    16.401  59.624    22.739  20.933    23.678  144.993 30.231 96.104  35.185 48.88931       46.38909 
1 1 1 -11 5  24 o 207.985 26.261 120.383   28.631  142.760   38.815  93.681    42.402  224.479 33.258 177.755 44.574 46.72395       55.61427 
1 1 1 -11 5  26 o 156.620 19.981 67.999    16.396  57.424    22.552  79.855    23.879  140.772 30.742 167.694 27.515 -26.92238      41.25740 
1 1 1 -11 5  28 o 121.408 27.300 42.811    17.338  63.927    23.420  17.202    25.792  147.864 30.553 92.216  36.029 55.64828       47.23990 
1 1 1 -11 5  30 o 135.480 29.398 54.283    20.740  26.708    33.407  71.574    26.455  105.930 41.111 154.484 32.946 -48.55384      52.68364 
1 1 1 -11 5  32 o 131.299 28.354 51.490    19.375  66.689    25.816  31.887    29.319  147.314 33.450 106.482 39.127 40.83125       51.47672 
1 1 1 -11 5  34 o 155.962 48.339 89.237    44.601  0.0000    0.0000  89.237    44.601  ?       ?      155.962 48.339 0.000000       48.33909 
1 1 1 -11 5  36 o 120.101 35.532 49.254    24.484  63.552    28.352  7.3137    48.559  134.789 37.738 94.771  43.209 40.01836       57.36874 
1 1 1 -11 5  38 o 83.224  34.576 17.031    25.415  35.737    31.066  -20.8242  44.194  101.206 39.542 78.507  37.489 22.69894       54.48865 
1 1 1 -11 5  40 o 131.465 39.472 68.198    30.050  48.798    49.124  79.799    37.987  106.607 46.286 134.385 44.897 -27.77798      64.48364 
1 1 1 -11 5  42 o 59.487  29.417 -42.8375  34.556  4.4354    71.429  -57.2822  39.484  87.801  43.202 60.376  30.119 27.42543       52.66499 
1 1 1 -11 5  44 o 76.729  38.962 -24.3615  84.064  -24.3615  84.064  0.0000    0.0000  76.729  38.962 ?       ?      0.000000       38.96201 
1 1 1 -11 6  1  o 465.362 14.271 581.743   35.605  617.894   50.480  545.951   50.228  479.155 19.650 450.290 20.806 28.86548       28.61852 
1 1 1 -11 6  3  o 372.429 13.556 372.500   27.067  381.526   38.374  363.562   38.185  376.095 19.094 367.065 19.473 9.030243       27.27229 
1 1 1 -11 6  5  o 793.050 20.173 1692.78   85.770  1729.86   148.602 1674.25   105.031 798.539 34.710 787.873 24.865 10.66565       42.69743 
1 1 1 -11 6  7  o 785.894 17.112 1660.56   72.098  1805.20   102.146 1516.95   101.780 818.379 23.281 749.828 25.318 68.55139       34.39468 
1 1 1 -11 6  9  o 897.211 21.817 2168.65   104.943 2168.65   104.943 0.0000    0.0000  897.211 21.817 ?       ?      0.000000       21.81668 
1 1 1 -11 6  11 o 589.330 15.505 933.490   48.989  926.661   56.619  953.828   97.715  586.902 17.994 592.620 30.862 -5.717773      35.72434 
1 1 1 -11 6  13 f 499.171 17.222 670.282   46.090  714.154   56.288  581.016   80.291  514.888 20.391 461.549 32.658 53.33844       38.50103 
1 1 1 -11 6  15 o 227.048 22.636 140.456   27.187  145.418   37.110  134.708   39.943  229.503 30.949 219.834 35.068 9.669418       46.77241 
1 1 1 -11 6  17 o 122.856 22.118 41.978    14.033  43.148    15.816  37.649    30.419  124.184 24.625 120.253 40.177 3.930420       47.12273 
1 1 1 -11 6  19 o 390.217 21.326 412.714   44.446  404.695   61.267  421.622   64.575  384.348 29.969 392.064 30.974 -7.716400      43.09895 
1 1 1 -11 6  21 o 387.660 16.975 405.620   35.280  375.289   43.081  467.381   61.475  371.463 21.727 412.835 27.939 -41.37210      35.39281 
1 1 1 -11 6  23 o 41.859  20.785 -43.0599  17.925  -37.3462  22.309  -53.4692  30.111  52.211  25.352 59.400  28.979 -7.188656      38.50372 
1 1 1 -11 6  25 o 367.612 17.591 367.278   34.670  338.726   58.908  382.409   42.884  346.302 32.093 373.265 21.521 -26.96289      38.64096 
1 1 1 -11 6  27 f 216.869 18.170 129.333   20.932  107.870   29.232  151.918   29.987  194.126 28.974 232.949 24.372 -38.82257      37.86100 
1 1 1 -11 6  29 o 118.010 36.722 41.559    25.710  50.305    38.270  34.364    34.710  129.699 45.025 113.855 42.435 15.84399       61.87013 
1 1 1 -11 6  31 o 86.968  32.890 18.157    21.012  17.708    25.884  19.025    35.980  90.968  35.925 100.674 41.418 -9.706467      54.82710 
1 1 1 -11 6  33 o 104.087 35.405 32.966    23.626  50.238    42.915  25.455    28.302  124.418 47.016 98.187  37.914 26.23067       60.39846 
1 1 1 -11 6  35 o 74.699  32.581 3.9855    24.572  10.896    29.374  -12.1230  44.847  84.380  36.207 85.617  39.911 -1.236725      53.88704 
1 1 1 -11 6  37 o 226.351 25.904 157.095   30.869  140.435   38.959  185.198   50.599  201.009 37.531 222.140 44.042 -21.13113      57.86467 
1 1 1 -11 6  39 o 71.745  32.975 -3.8136   29.047  4.6703    54.424  -7.1929   34.348  91.662  43.125 74.938  34.931 16.72473       55.49746 
1 1 1 -11 6  41 o 197.767 39.713 154.084   40.645  168.400   77.387  148.631   47.763  141.336 59.632 176.370 48.841 -35.03432      77.08045 
1 1 1 -11 6  43 o 86.452  40.128 33.205    44.576  142.491   81.367  -13.6590  53.283  109.012 51.717 74.754  36.884 34.25818       63.52243 
1 1 1 -11 7  2  o 388.361 13.916 405.153   28.975  424.892   41.035  385.526   40.919  397.329 19.263 377.859 20.273 19.47025       27.96544 
1 1 1 -11 7  4  o 645.177 18.448 1119.88   63.810  1168.55   110.413 1095.47   78.189  656.812 31.355 637.489 22.877 19.32288       38.81392 
1 1 1 -11 7  6  o 878.129 18.511 2074.66   87.151  2053.92   123.216 2095.42   123.284 872.096 26.353 880.925 26.103 -8.829102      37.09270 
1 1 1 -11 7  8  o 444.004 16.624 530.059   39.572  557.628   48.372  474.278   68.807  455.115 19.825 417.330 30.974 37.78488       36.77464 
1 1 1 -11 7  10 o 514.032 17.174 710.682   47.329  700.057   57.753  732.410   82.588  509.738 21.133 519.263 29.791 -9.525757      36.52499 
1 1 1 -11 7  12 o 188.803 18.560 96.868    18.544  103.172   22.408  83.167    33.035  194.414 21.879 171.532 37.008 22.88197       42.99166 
1 1 1 -11 7  14 o 765.002 24.695 1581.52   101.284 1594.57   143.481 1568.56   142.994 765.058 34.981 758.734 35.153 6.324097       49.59176 
1 1 1 -11 7  16 o 306.196 15.193 252.215   24.940  260.238   28.504  226.018   51.509  310.405 17.195 285.876 34.292 24.52863       38.36161 
1 1 1 -11 7  18 o 274.915 18.175 204.726   26.637  204.726   26.637  0.0000    0.0000  274.915 18.175 ?       ?      0.000000       18.17488 
1 1 1 -11 7  20 o 113.096 32.199 36.074    20.462  36.074    20.462  0.0000    0.0000  113.096 32.199 ?       ?      0.000000       32.19873 
1 1 1 -11 7  22 o 119.733 25.265 40.656    15.708  44.523    20.666  35.366    24.174  124.513 31.061 112.880 35.681 11.63268       47.30631 
1 1 1 -11 7  24 o 185.427 19.783 94.753    19.363  79.987    26.805  110.868   28.002  166.844 31.111 198.580 27.002 -31.73555      41.19443 
1 1 1 -11 7  26 o 173.254 25.513 84.951    22.989  92.435    37.348  80.386    29.169  174.748 40.633 165.292 34.049 9.456238       53.01318 
1 1 1 -11 7  28 o 212.937 28.656 130.397   31.884  97.005    46.163  160.859   44.091  173.472 48.007 232.252 36.623 -58.77968      60.38145 
1 1 1 -11 7  30 o 90.956  33.875 20.649    22.112  3.6873    38.430  29.044    27.036  93.411  40.743 103.353 37.634 -9.942116      55.46487 
1 1 1 -11 7  32 o 149.969 31.037 68.651    24.132  18.399    41.119  95.052    29.804  102.233 43.319 175.991 32.794 -73.75806      54.33215 
1 1 1 -11 7  34 o 93.821  36.693 23.950    26.771  13.071    32.494  46.938    47.233  89.214  38.176 118.491 47.938 -29.27654      61.28228 
1 1 1 -11 7  36 o 119.549 37.421 50.320    26.654  38.752    34.730  66.899    41.577  106.643 41.769 129.032 46.718 -22.38977      62.66760 
1 1 1 -11 7  38 o 188.778 29.898 115.116   29.252  129.352   41.516  101.081   41.222  184.221 42.844 156.728 46.029 27.49249       62.88330 
1 1 1 -11 7  40 o 70.115  31.967 -0.0350   26.578  -12.3964  41.513  8.5511    34.598  76.555  36.495 80.839  36.708 -4.284050      51.76274 
1 1 1 -11 7  42 o 85.304  36.779 27.283    30.585  76.977    62.747  11.796    35.028  103.653 47.935 77.864  35.940 25.78877       59.91201 
1 1 1 -11 8  1  o 214.008 16.621 123.908   18.921  121.584   23.292  128.417   32.443  211.423 20.819 215.983 28.730 -4.559280      35.48027 
1 1 1 -11 8  3  o 209.186 21.241 119.105   23.492  100.604   33.811  136.374   32.664  189.592 34.535 222.857 27.954 -33.26468      44.43087 
1 1 1 -11 8  5  o 243.932 16.463 160.721   21.404  161.572   25.915  158.895   37.967  244.146 19.973 240.404 30.119 3.742340       36.13964 
1 1 1 -11 8  7  o 403.571 16.231 437.930   35.119  410.868   42.906  492.864   61.131  390.005 20.593 426.179 26.892 -36.17422      33.87155 
1 1 1 -11 8  9  o 466.827 14.713 585.712   36.824  550.347   51.646  622.282   52.519  451.869 21.319 480.606 20.382 -28.73737      29.49436 
1 1 1 -11 8  11 o 581.117 15.590 908.082   48.570  895.502   56.154  945.449   96.782  576.757 18.160 589.536 30.727 -12.77875      35.69212 
1 1 1 -11 8  13 f 137.575 20.763 52.172    14.838  55.327    17.731  44.802    27.102  141.116 24.314 126.912 37.337 14.20408       44.55584 
1 1 1 -11 8  15 o 243.576 15.608 160.330   20.275  150.471   23.292  191.173   41.195  235.526 18.597 263.543 29.672 -28.01654      35.01801 
1 1 1 -11 8  17 o 130.483 23.383 47.509    15.757  48.436    17.961  44.413    32.826  131.208 26.447 128.139 41.687 3.069565       49.36887 
1 1 1 -11 8  19 o 211.386 20.957 122.322   23.438  101.219   27.878  173.208   43.290  190.406 28.158 248.549 33.326 -58.14278      43.62910 
1 1 1 -11 8  21 o 291.188 15.606 229.834   24.275  217.905   27.660  269.820   50.643  282.910 18.335 310.872 30.790 -27.96222      35.83585 
1 1 1 -11 8  23 o 231.425 19.162 146.827   23.561  135.193   27.789  176.581   44.439  220.642 23.872 248.369 34.287 -27.72668      41.77906 
1 1 1 -11 8  25 o 309.460 18.543 262.419   30.624  270.105   36.750  244.956   55.394  312.577 22.071 290.201 36.405 22.37616       42.57294 
1 1 1 -11 8  27 o 189.675 28.184 103.423   27.789  91.735    38.919  115.580   39.691  171.714 42.503 195.025 39.318 -23.31044      57.90018 
1 1 1 -11 8  29 o 161.182 26.609 75.307    22.191  61.710    34.716  84.702    28.857  139.648 42.538 167.917 33.230 -28.26843      53.97860 
1 1 1 -11 8  31 o 191.593 33.939 112.576   33.586  140.747   48.179  85.947    46.843  205.494 44.980 156.319 49.696 49.17506       67.02904 
1 1 1 -11 8  33 o 113.753 35.937 42.102    24.525  19.438    30.419  84.201    41.459  92.930  38.140 151.416 46.552 -58.48571      60.18076 
1 1 1 -11 8  35 o 143.671 31.335 66.483    23.457  87.287    34.768  49.101    31.780  155.952 41.030 117.393 41.014 38.55897       58.01339 
1 1 1 -11 8  37 o 83.678  34.555 16.718    25.166  -1.7658   35.817  34.739    35.366  80.486  36.853 102.532 41.482 -22.04613      55.48766 
1 1 1 -11 8  39 o 196.549 34.989 135.583   35.519  103.859   69.406  146.840   41.343  129.290 55.572 196.816 40.530 -67.52628      68.78171 
1 1 1 -11 8  41 o 102.159 39.850 46.402    31.514  14.569    61.772  57.602    36.640  88.784  42.889 108.585 42.786 -19.80106      60.58187 
1 1 1 -11 9  2  o 553.272 17.608 823.950   52.231  828.323   91.018  821.803   63.777  551.562 30.904 551.988 21.551 -0.4262085     37.67622 
1 1 1 -11 9  4  o 615.507 18.256 1019.96   60.243  1133.41   104.792 963.955   73.624  646.415 30.238 597.619 22.979 48.79578       37.97811 
1 1 1 -11 9  6  o 583.968 15.473 917.016   48.442  863.670   68.513  970.343   68.501  565.729 22.589 599.870 21.299 -34.14075      31.04715 
1 1 1 -11 9  8  o 456.406 16.815 560.544   41.145  582.896   71.395  549.429   50.346  462.814 28.918 451.400 20.803 11.41455       35.62360 
1 1 1 -11 9  10 o 489.910 14.937 645.481   39.234  619.789   55.189  671.733   55.786  479.233 21.480 499.007 20.852 -19.77405      29.93671 
1 1 1 -11 9  12 o 378.647 20.132 387.942   40.722  349.492   56.817  428.555   58.394  357.280 29.938 396.450 27.646 -39.17053      40.75027 
1 1 1 -11 9  14 o 187.688 16.930 95.708    16.853  87.883    19.625  117.686   32.888  179.145 20.822 205.528 30.795 -26.38290      37.17386 
1 1 1 -11 9  16 o 171.665 21.744 81.096    19.564  61.924    24.747  113.046   31.946  147.475 32.201 201.031 30.607 -53.55569      44.42620 
1 1 1 -11 9  18 o 226.781 16.633 139.701   20.082  142.286   23.008  131.432   41.150  228.436 18.958 214.448 37.136 13.98808       41.69540 
1 1 1 -11 9  20 o 283.982 15.319 218.644   23.237  213.458   26.697  234.852   47.195  280.014 17.877 289.548 30.878 -9.533844      35.67986 
1 1 1 -11 9  22 o 71.539  26.564 11.197    13.577  13.837    15.094  -0.0003   31.082  77.205  28.118 85.781  37.030 -8.576065      46.49611 
1 1 1 -11 9  24 o 104.687 29.200 31.674    17.008  30.193    19.672  36.060    33.847  103.104 32.128 116.857 42.176 -13.75270      53.01915 
1 1 1 -11 9  26 o 122.765 42.019 43.621    33.281  43.621    33.281  0.0000    0.0000  122.765 42.019 ?       ?      0.000000       42.01920 
1 1 1 -11 9  28 o 177.840 21.257 88.954    19.866  66.486    26.958  115.657   29.389  147.930 34.606 199.840 28.215 -51.90976      44.65063 
1 1 1 -11 9  30 o 189.100 24.619 103.182   24.367  98.866    39.307  105.876   31.055  173.602 42.560 187.207 32.096 -13.60475      53.30627 
1 1 1 -11 9  32 o 268.543 23.422 208.889   33.384  184.833   40.975  256.389   57.577  244.962 31.962 280.088 39.435 -35.12556      50.76058 
1 1 1 -11 9  34 o 103.990 34.269 35.041    22.156  58.060    32.097  14.091    30.621  127.743 41.193 87.751  37.292 39.99193       55.56582 
1 1 1 -11 9  36 o 193.905 27.598 116.288   27.881  107.438   38.228  126.344   40.751  171.619 41.910 187.109 41.690 -15.49001      59.11456 
1 1 1 -11 9  38 o 187.454 33.822 119.805   32.741  56.854    59.431  147.236   39.231  113.816 50.127 203.606 37.314 -89.79020      62.49009 
1 1 1 -11 9  40 o 108.543 41.242 52.061    33.135  99.539    68.393  37.499    37.877  118.671 52.932 96.512  41.256 22.15913       67.11074 
1 1 1 -11 10 1  o 121.978 21.706 41.388    13.675  26.259    23.825  48.820    16.699  102.692 35.532 132.228 24.456 -29.53625      43.13530 
1 1 1 -11 10 3  o 361.916 14.219 352.284   27.589  346.916   39.259  357.521   38.779  357.930 20.545 363.475 19.977 -5.545349      28.65581 
1 1 1 -11 10 5  o 88.088  26.048 21.341    13.161  -7.3819   23.969  33.740    15.748  71.575  31.662 109.405 27.010 -37.82961      41.61782 
1 1 1 -11 10 7  f 459.395 14.820 567.816   36.502  520.447   51.217  616.714   52.037  438.887 21.766 478.000 20.305 -39.11322      29.76723 
1 1 1 -11 10 9  o 358.876 17.055 347.057   32.815  300.852   56.582  370.474   40.281  330.417 32.356 369.823 20.395 -39.40552      38.24696 
1 1 1 -11 10 11 o 259.531 23.013 183.857   31.689  0.0000    0.0000  183.857   31.689  ?       ?      259.531 23.013 0.000000       23.01342 
1 1 1 -11 10 13 o 342.381 21.644 318.857   39.526  282.443   53.604  362.249   58.514  319.451 31.718 362.576 30.382 -43.12473      43.92135 
1 1 1 -11 10 15 o 180.359 18.592 88.924    17.720  91.239    19.745  79.341    40.173  182.331 20.558 164.819 44.446 17.51146       48.96984 
1 1 1 -11 10 17 o 119.897 22.218 40.346    13.756  36.866    14.761  63.325    37.931  114.011 24.850 147.757 44.342 -33.74609      50.83073 
1 1 1 -11 10 19 o 89.090  28.266 21.676    15.160  19.344    17.196  29.807    32.112  87.229  30.187 111.358 40.944 -24.12959      50.86925 
1 1 1 -11 10 21 o 327.149 18.032 292.016   31.505  299.305   38.178  276.457   55.780  329.937 21.704 311.473 33.953 18.46359       40.29763 
1 1 1 -11 10 23 o 328.503 18.604 295.636   32.630  298.010   39.972  290.895   56.492  328.037 22.871 318.301 33.612 9.736115       40.65554 
1 1 1 -11 10 25 o 71.105  28.571 7.7228    16.654  7.7228    16.654  0.0000    0.0000  71.105  28.571 ?       ?      0.000000       28.57131 
1 1 1 -11 10 27 o 164.641 23.577 77.166    20.217  71.742    23.030  95.386    42.212  156.634 28.473 172.042 45.183 -15.40813      53.40663 
1 1 1 -11 10 29 o 200.051 24.840 115.363   26.068  115.363   26.068  0.0000    0.0000  200.051 24.840 ?       ?      0.000000       24.83993 
1 1 1 -11 10 31 o 174.501 35.700 97.260    32.274  80.704    40.802  124.929   52.748  150.389 46.173 182.188 51.639 -31.79909      69.27084 
1 1 1 -11 10 33 o 255.409 21.491 188.188   29.155  166.788   39.856  212.820   42.760  229.552 33.361 262.177 31.022 -32.62523      45.55580 
1 1 1 -11 10 35 o 126.330 36.215 54.476    25.795  38.840    36.158  70.682    36.811  108.350 42.564 137.005 44.107 -28.65472      61.29581 
1 1 1 -11 10 37 o 94.483  38.296 27.426    30.201  -19.7765  54.423  48.430    36.304  86.031  41.222 112.313 43.051 -26.28226      59.60420 
1 1 1 -11 10 39 o 99.123  39.013 38.205    30.429  63.777    59.878  29.302    35.332  110.137 49.297 92.760  39.754 17.37640       63.32917 
1 1 1 -11 11 2  o 248.017 16.605 166.644   21.952  140.864   38.349  179.208   26.772  224.340 32.858 256.724 19.599 -32.38449      38.25927 
1 1 1 -11 11 4  o 503.673 14.819 683.315   40.016  708.626   56.895  658.537   56.293  511.746 20.737 493.204 21.289 18.54187       29.71952 
1 1 1 -11 11 6  o 436.995 14.181 514.184   33.223  559.082   47.395  470.808   46.585  454.791 19.438 417.089 20.833 37.70175       28.49269 
1 1 1 -11 11 8  o 518.635 15.236 724.908   42.365  703.206   60.160  746.257   59.669  509.336 22.031 524.910 21.203 -15.57379      30.57644 
1 1 1 -11 11 10 o 501.895 21.439 683.015   57.689  752.807   80.997  611.163   82.184  523.719 28.959 470.143 32.811 53.57602       43.76294 
1 1 1 -11 11 12 o 107.624 26.014 32.870    14.844  45.800    17.082  -6.9942   29.994  127.324 25.906 80.694  35.571 46.63041       44.00478 
1 1 1 -11 11 14 o 348.889 17.169 329.305   32.116  329.718   39.651  328.518   54.759  347.609 21.380 344.079 29.984 3.530792       36.82555 
1 1 1 -11 11 16 o 265.810 16.231 191.864   23.020  198.368   26.069  168.840   49.048  269.873 18.123 241.890 39.159 27.98323       43.14960 
1 1 1 -11 11 18 o 350.690 15.269 332.824   28.708  319.682   32.483  379.713   61.357  342.690 17.741 367.825 31.415 -25.13474      36.07824 
1 1 1 -11 11 20 o 216.526 25.056 130.977   28.549  127.512   36.104  136.758   46.638  210.559 33.072 214.038 42.142 -3.479294      53.56995 
1 1 1 -11 11 22 o 77.063  30.110 11.024    18.014  4.4188    22.701  22.257    29.603  77.149  32.411 100.919 38.830 -23.76969      50.57848 
1 1 1 -11 11 24 o 139.854 28.787 57.012    20.865  57.012    20.865  0.0000    0.0000  139.854 28.787 ?       ?      0.000000       28.78729 
1 1 1 -11 11 26 o 137.061 29.557 55.607    21.081  56.490    23.524  52.006    47.500  137.050 32.508 132.887 49.619 4.162430       59.31918 
1 1 1 -11 11 28 o 103.483 41.867 23.927    36.025  31.881    53.776  17.451    48.523  118.904 49.914 107.922 46.429 10.98167       68.16901 
1 1 1 -11 11 30 o 70.480  31.159 -1.5899   23.179  -18.6075  26.022  63.788    51.004  64.449  30.161 134.536 51.156 -70.08739      59.38546 
1 1 1 -11 11 32 o 92.016  31.042 25.427    18.161  27.073    19.113  10.146    58.250  94.493  31.846 105.353 47.758 -10.86064      57.40215 
1 1 1 -11 11 34 o 75.122  30.344 11.683    18.893  6.7928    19.783  62.347    63.679  71.408  30.141 127.158 53.896 -55.74956      61.75127 
1 1 1 -11 11 36 o 60.819  28.937 -21.1225  25.831  47.797    50.945  -44.9734  29.970  113.119 48.087 57.483  28.224 55.63602       55.75840 
1 1 1 -11 11 38 o 143.745 42.415 85.304    34.930  167.140   62.659  48.406    42.074  171.451 57.661 106.859 44.449 64.59195       72.80444 
1 1 1 -11 12 1  o 253.272 16.532 174.054   22.326  185.006   28.458  156.527   36.002  260.316 20.558 237.128 28.918 23.18799       35.48091 
1 1 1 -11 12 3  o 86.918  24.435 21.165    11.861  27.691    23.248  18.868    13.791  103.261 35.120 83.983  26.993 19.27764       44.29535 
1 1 1 -11 12 5  o 139.697 17.919 53.628    13.111  56.816    20.239  51.323    17.212  141.760 27.622 135.203 24.653 6.556900       37.02359 
1 1 1 -11 12 7  o 254.530 14.738 175.328   20.026  159.160   29.521  189.109   27.255  240.756 23.157 263.482 19.431 -22.72603      30.22936 
1 1 1 -11 12 9  o 117.366 24.023 38.884    14.607  45.077    28.542  36.687    17.002  126.303 38.591 113.451 28.099 12.85183       47.73720 
1 1 1 -11 12 11 o 54.613  22.009 3.7207    9.9141  -11.4706  16.539  12.240    12.386  54.394  24.957 71.807  25.558 -17.41277      35.72182 
1 1 1 -11 12 13 o 248.070 22.624 169.227   29.759  169.227   29.759  0.0000    0.0000  248.070 22.624 ?       ?      0.000000       22.62434 
1 1 1 -11 12 15 o 267.750 17.946 195.415   25.612  208.269   31.790  171.641   43.235  275.421 21.705 245.708 33.709 29.71265       40.09214 
1 1 1 -11 12 17 o 67.129  26.439 7.4541    13.984  -7.5117   16.921  39.705    24.839  57.861  26.029 117.777 36.003 -59.91518      44.42648 
1 1 1 -11 12 19 o 293.512 15.554 234.319   24.389  233.063   28.130  238.121   48.949  291.992 18.058 289.289 32.102 2.702240       36.83209 
1 1 1 -11 12 21 o 85.684  28.853 19.595    15.689  10.147    18.759  41.592    28.623  77.056  30.534 120.053 38.919 -42.99647      49.46770 
1 1 1 -11 12 23 o 130.010 28.582 49.429    19.379  49.429    19.379  0.0000    0.0000  130.010 28.582 ?       ?      0.000000       28.58179 
1 1 1 -11 12 25 o 179.723 23.140 91.641    21.779  82.745    24.028  132.596   51.555  168.772 27.502 200.686 48.463 -31.91478      55.72326 
1 1 1 -11 12 27 o 266.538 32.701 213.189   45.749  253.252   67.858  179.806   61.944  275.630 47.644 226.733 52.058 48.89708       70.56889 
1 1 1 -11 12 29 o 85.413  29.711 20.482    16.668  26.016    17.552  -30.3632  53.200  93.615  30.485 89.561  42.289 4.054619       52.13105 
1 1 1 -11 12 31 o 145.280 28.155 64.041    21.138  64.041    21.138  0.0000    0.0000  145.280 28.155 ?       ?      0.000000       28.15451 
1 1 1 -11 12 33 o 99.306  41.177 24.549    35.944  24.549    35.944  0.0000    0.0000  99.306  41.177 ?       ?      0.000000       41.17657 
1 1 1 -11 12 35 o 78.665  31.078 15.529    19.377  8.6187    20.175  97.710    69.574  72.607  30.531 138.447 57.337 -65.84029      64.95912 
1 1 1 -11 12 37 o 94.127  34.024 30.543    22.040  21.535    22.961  136.094   78.600  84.709  33.714 139.166 59.458 -54.45715      68.35133 
1 1 1 -11 13 2  o 492.404 21.524 660.261   56.821  660.261   56.821  0.0000    0.0000  492.404 21.524 ?       ?      0.000000       21.52374 
1 1 1 -11 13 4  o 429.498 16.945 499.281   39.020  505.676   47.999  486.821   67.001  431.206 20.763 418.855 30.036 12.35062       36.51341 
1 1 1 -11 13 6  o 605.127 18.367 992.810   59.586  1022.65   73.103  933.735   102.856 612.534 22.260 578.575 33.299 33.95905       40.05463 
1 1 1 -11 13 8  o 374.292 20.632 382.205   41.242  414.991   58.844  350.553   57.818  387.044 28.560 354.658 30.711 32.38602       41.93827 
1 1 1 -11 13 10 o 178.884 20.008 88.062    18.860  97.926    23.970  72.029    30.558  187.637 24.405 157.121 36.905 30.51634       44.24425 
1 1 1 -11 13 12 o 298.457 22.046 244.532   35.026  244.532   35.026  0.0000    0.0000  298.457 22.046 ?       ?      0.000000       22.04562 
1 1 1 -11 13 14 o 144.666 23.354 58.734    17.497  50.085    21.893  74.025    29.110  131.471 31.477 159.295 35.038 -27.82425      47.10034 
1 1 1 -11 13 16 o 106.308 27.206 32.495    15.571  37.350    26.905  30.050    19.093  115.469 37.749 103.109 31.573 12.35992       49.21267 
1 1 1 -11 13 18 o 207.272 20.818 118.823   22.822  115.841   28.587  124.064   37.896  202.546 26.998 206.144 35.574 -3.597748      44.65877 
1 1 1 -11 13 20 o 180.319 19.814 90.170    18.839  98.612    21.650  63.848    38.230  187.999 21.890 144.667 44.740 43.33170       49.80780 
1 1 1 -11 13 22 o 103.818 30.349 31.490    17.957  31.490    17.957  0.0000    0.0000  103.818 30.349 ?       ?      0.000000       30.34854 
1 1 1 -11 13 24 o 143.355 30.286 61.244    22.547  55.055    28.688  71.244    36.467  133.047 38.207 148.958 43.164 -15.91055      57.64460 
1 1 1 -11 13 26 o 193.214 22.744 106.474   23.109  103.137   26.469  117.173   47.391  187.861 27.061 185.791 47.418 2.069733       54.59704 
1 1 1 -11 13 28 o 209.607 21.725 125.113   24.059  125.536   26.238  122.879   60.297  208.727 23.877 179.100 56.320 29.62701       61.17181 
1 1 1 -11 13 30 o 320.793 20.744 291.714   35.486  291.714   35.486  0.0000    0.0000  320.793 20.744 ?       ?      0.000000       20.74401 
1 1 1 -11 13 32 o 87.901  33.625 20.601    22.119  10.625    23.591  93.156    63.619  79.614  33.214 147.572 56.883 -67.95737      65.86939 
1 1 1 -11 13 34 o 114.512 34.362 44.250    22.779  35.910    24.034  117.911   71.425  103.748 35.700 150.145 59.555 -46.39661      69.43542 
1 1 1 -11 13 36 o 118.248 33.492 49.123    22.198  45.648    23.124  89.896    79.214  112.879 34.777 123.187 55.781 -10.30869      65.73414 
1 1 1 -11 14 1  f 264.597 20.082 191.721   28.275  195.128   40.619  188.518   39.383  263.927 29.195 259.522 28.790 4.404510       41.00302 
1 1 1 -11 14 3  o 374.779 16.421 380.468   32.995  451.834   59.697  349.077   39.591  403.690 27.751 357.310 20.757 46.37949       34.65482 
1 1 1 -11 14 5  o 421.905 16.773 482.356   37.940  542.661   66.480  453.228   46.203  442.376 28.177 407.124 21.241 35.25186       35.28651 
1 1 1 -11 14 7  o 230.703 16.886 145.012   20.741  136.171   36.311  149.292   25.268  219.075 31.848 233.250 20.412 -14.17537      37.82758 
1 1 1 -11 14 9  o 381.555 16.438 394.512   33.627  376.899   59.041  402.968   40.911  367.141 30.265 384.161 19.932 -17.02014      36.23877 
1 1 1 -11 14 11 o 267.407 22.257 196.952   31.619  179.201   44.371  215.266   45.069  250.617 33.893 276.333 30.953 -25.71689      45.89977 
1 1 1 -11 14 13 o 447.682 15.160 542.832   36.386  523.782   51.853  561.311   51.071  436.662 22.223 453.095 21.024 -16.43289      30.59169 
1 1 1 -11 14 15 o 175.324 20.052 85.057    18.510  87.752    31.700  83.662    22.800  172.937 35.382 172.258 25.455 0.6792603      43.58731 
1 1 1 -11 14 17 o 104.757 28.400 31.761    16.351  40.443    35.737  29.463    18.389  121.841 43.408 101.597 30.961 20.24427       53.31868 
1 1 1 -11 14 19 o 110.645 30.238 35.887    18.449  46.010    23.285  18.816    30.237  124.362 33.965 97.818  38.765 26.54453       51.53983 
1 1 1 -11 14 21 o 239.320 20.660 159.530   26.249  147.314   33.347  179.428   42.559  226.373 28.079 247.168 32.936 -20.79578      43.28086 
1 1 1 -11 14 23 o 83.833  28.834 19.048    15.678  25.583    17.945  -2.0281   32.226  94.475  30.826 83.362  36.803 11.11318       48.00736 
1 1 1 -11 14 25 o 105.744 37.058 32.416    25.954  36.374    41.887  29.949    33.067  116.593 45.809 106.878 41.059 9.715088       61.51674 
1 1 1 -11 14 27 o 136.713 27.279 55.561    19.294  55.443    22.044  55.946    39.886  134.770 31.136 130.910 45.936 3.859436       55.49377 
1 1 1 -11 14 29 o 94.750  36.148 23.647    25.520  23.647    25.520  0.0000    0.0000  94.750  36.148 ?       ?      0.000000       36.14788 
1 1 1 -11 14 31 o 151.444 33.305 73.163    26.306  57.427    28.611  159.182   66.894  130.646 38.341 192.633 59.117 -61.98657      70.46156 
1 1 1 -11 14 33 o 72.762  30.982 7.0020    21.209  11.977    22.287  -40.7360  69.036  78.225  32.429 92.001  44.656 -13.77639      55.18848 
1 1 1 -11 15 2  f 116.704 23.375 38.648    14.116  49.802    26.103  34.038    16.781  130.451 36.099 108.755 28.453 21.69579       45.96471 
1 1 1 -11 15 4  o 124.930 23.691 44.190    15.287  47.685    30.788  43.046    17.611  128.567 40.214 122.418 27.504 6.149902       48.72031 
1 1 1 -11 15 6  o 168.684 19.208 78.464    17.061  82.675    21.028  70.351    29.187  172.094 23.398 154.820 35.867 17.27399       42.82403 
1 1 1 -11 15 8  o 183.313 16.502 91.896    16.045  90.950    23.336  92.745    22.096  180.165 24.818 182.476 23.104 -2.311844      33.90714 
1 1 1 -11 15 10 o 364.068 21.162 363.967   41.128  0.0000    0.0000  363.967   41.128  ?       ?      364.068 21.162 0.000000       21.16225 
1 1 1 -11 15 12 o 298.157 17.927 242.996   28.523  266.736   50.050  231.577   34.712  306.844 30.842 289.419 22.549 17.42462       38.20541 
1 1 1 -11 15 14 o 133.589 30.132 52.045    21.067  0.0000    0.0000  52.045    21.067  ?       ?      133.589 30.132 0.000000       30.13196 
1 1 1 -11 15 16 o 253.688 18.504 177.068   24.994  175.224   45.890  177.846   29.802  243.936 36.186 252.838 22.211 -8.901398      42.45914 
1 1 1 -11 15 18 o 148.051 32.593 65.217    25.170  65.217    25.170  0.0000    0.0000  148.051 32.593 ?       ?      0.000000       32.59333 
1 1 1 -11 15 20 o 148.944 22.557 63.033    17.449  79.540    20.199  14.499    34.636  167.426 23.120 97.467  40.418 69.95892       46.56300 
1 1 1 -11 15 22 o 98.877  29.828 28.688    17.130  28.485    19.851  29.282    33.901  99.312  32.423 107.878 41.540 -8.566277      52.69585 
1 1 1 -11 15 24 o 154.665 27.833 70.309    22.231  79.431    26.772  50.051    39.897  162.575 31.855 127.595 45.822 34.97913       55.80679 
1 1 1 -11 15 26 o 209.776 26.319 127.765   28.948  124.722   36.554  132.883   47.409  201.538 35.107 200.052 45.260 1.486176       57.27954 
1 1 1 -11 15 28 o 80.070  34.050 6.9082    25.560  6.9082    25.560  0.0000    0.0000  80.070  34.050 ?       ?      0.000000       34.05029 
1 1 1 -11 15 30 o 104.701 33.731 34.618    21.525  17.935    24.436  92.400    45.476  87.215  34.758 156.579 48.858 -69.36324      59.96004 
1 1 1 -11 15 32 o 78.026  32.335 11.807    22.147  1.6803    26.112  37.767    41.807  74.389  32.970 108.548 44.650 -34.15938      55.50366 
1 1 1 -11 16 1  o 143.946 29.508 60.058    22.008  97.088    39.257  43.085    26.577  178.882 41.702 121.458 37.260 57.42357       55.92333 
1 1 1 -11 16 3  o 98.669  30.443 27.542    17.713  58.714    30.877  12.253    21.625  140.086 39.440 83.110  32.831 56.97574       51.31663 
1 1 1 -11 16 5  o 304.164 14.880 250.903   24.265  264.288   35.627  239.323   33.139  309.501 21.606 294.641 21.119 14.85995       30.21322 
1 1 1 -11 16 7  o 365.908 17.032 364.496   33.413  345.865   41.253  400.031   56.971  354.073 21.838 377.310 28.371 -23.23703      35.80238 
1 1 1 -11 16 9  o 316.512 17.071 273.655   28.861  274.574   35.962  271.992   48.378  315.380 21.395 309.939 29.468 5.440887       36.41620 
1 1 1 -11 16 11 o 220.980 16.831 133.804   19.790  153.073   28.172  115.032   27.806  234.454 22.696 201.596 26.358 32.85707       34.78312 
1 1 1 -11 16 13 o 181.897 26.166 94.105    24.782  0.0000    0.0000  94.105    24.782  ?       ?      181.897 26.166 0.000000       26.16550 
1 1 1 -11 16 15 o 86.660  26.667 21.231    13.602  31.882    20.539  12.911    18.152  105.037 32.844 78.993  30.403 26.04387       44.75530 
1 1 1 -11 16 17 o 255.219 18.772 179.906   25.506  194.228   32.733  157.770   40.694  263.121 23.450 231.499 33.783 31.62112       41.12394 
1 1 1 -11 16 19 o 200.748 25.421 114.816   26.746  125.142   35.983  102.068   39.982  205.304 33.873 180.400 42.106 24.90410       54.03965 
1 1 1 -11 16 21 o 188.212 20.461 99.190    20.314  114.884   23.316  49.761    41.380  202.115 21.866 129.114 46.629 73.00096       51.50132 
1 1 1 -11 16 23 o 104.555 33.009 32.354    20.694  14.558    25.013  70.964    36.842  87.419  35.054 148.145 43.517 -60.72565      55.87991 
1 1 1 -11 16 25 o 71.878  30.528 3.9294    20.498  -5.7994   26.167  19.383    32.979  72.694  32.560 97.860  39.885 -25.16581      51.48759 
1 1 1 -11 16 27 o 88.331  32.710 20.717    20.559  17.747    23.818  29.397    40.717  87.751  34.523 108.605 44.298 -20.85384      56.16120 
1 1 1 -11 16 29 o 101.238 34.257 31.891    22.118  40.643    25.598  6.1031    43.938  111.885 36.833 94.706  42.321 17.17965       56.10453 
1 1 1 -11 17 2  o 160.766 24.049 73.094    20.092  84.641    27.517  59.908    29.405  170.478 31.259 140.954 38.032 29.52406       49.22941 
1 1 1 -11 17 4  o 139.709 21.446 54.891    15.550  63.241    26.410  50.459    19.239  145.871 34.339 131.856 28.076 14.01505       44.35571 
1 1 1 -11 17 6  o 66.341  26.163 7.4799    13.711  12.633    17.818  -0.0001   21.467  78.510  30.144 71.445  30.808 7.064697       43.10262 
1 1 1 -11 17 8  o 168.560 18.132 78.521    16.128  79.512    23.673  77.663    22.032  166.554 27.469 165.211 25.709 1.343063       37.62354 
1 1 1 -11 17 10 o 67.373  25.030 10.076    12.058  35.004    19.015  -6.6887   15.594  109.437 30.999 55.467  24.966 53.97066       39.80257 
1 1 1 -11 17 12 o 178.346 18.443 87.977    17.380  97.656    24.880  78.753    24.289  185.459 25.714 165.191 28.452 20.26866       38.35063 
1 1 1 -11 17 14 f 141.955 31.850 59.611    23.644  55.057    33.011  64.408    33.881  134.620 41.564 144.678 41.514 -10.05885      58.74490 
1 1 1 -11 17 16 o 232.225 26.064 152.909   31.890  152.909   31.890  0.0000    0.0000  232.225 26.064 ?       ?      0.000000       26.06415 
1 1 1 -11 17 18 o 209.090 23.284 123.144   25.658  128.137   31.476  113.252   44.299  210.862 28.579 189.217 44.428 21.64525       52.82577 
1 1 1 -11 17 20 o 217.081 35.278 141.292   39.648  141.292   39.648  0.0000    0.0000  217.081 35.278 ?       ?      0.000000       35.27754 
1 1 1 -11 17 22 o 126.168 29.411 47.576    19.527  62.758    22.766  5.3218    37.981  144.942 30.274 93.743  40.700 51.19883       50.72445 
1 1 1 -11 17 24 o 137.100 32.667 57.791    23.669  57.791    23.669  0.0000    0.0000  137.100 32.667 ?       ?      0.000000       32.66653 
1 1 1 -11 17 26 o 216.769 22.248 134.602   25.489  128.857   29.742  150.492   49.465  208.844 27.209 210.132 45.245 -1.288040      52.79605 
1 1 1 -11 18 1  o 148.136 24.038 62.251    18.437  57.756    29.659  65.082    23.536  138.405 38.544 149.332 30.431 -10.92752      49.10887 
1 1 1 -11 18 3  o 223.575 25.246 140.610   29.731  161.832   52.433  130.554   36.094  229.978 44.130 211.999 32.817 17.97900       54.99487 
1 1 1 -11 18 5  o 121.474 23.971 42.202    15.057  68.433    26.841  30.156    18.189  152.071 33.798 102.377 30.702 49.69371       45.66087 
1 1 1 -11 18 7  f 172.594 24.129 84.032    21.717  63.782    29.721  107.228   31.809  145.504 37.769 192.108 32.011 -46.60379      49.50952 
1 1 1 -11 18 9  o 319.110 21.631 281.895   36.789  0.0000    0.0000  281.895   36.789  ?       ?      319.110 21.631 0.000000       21.63109 
1 1 1 -11 18 11 o 183.942 18.535 93.512    18.030  77.739    26.415  107.271   24.671  163.041 31.358 195.234 24.080 -32.19301      39.53677 
1 1 1 -11 18 13 o 265.494 19.541 194.607   27.620  178.768   34.094  224.847   47.109  251.792 25.613 278.968 32.082 -27.17659      41.05173 
1 1 1 -11 18 15 o 260.765 17.142 186.729   23.832  208.004   36.054  170.221   31.760  271.739 25.029 245.922 24.411 25.81680       34.96193 
1 1 1 -11 18 17 o 277.305 16.288 210.903   24.109  226.887   37.425  199.564   31.521  283.509 24.874 267.148 22.209 16.36130       33.34589 
1 1 1 -11 18 19 o 213.596 20.855 127.747   23.577  88.025    42.263  145.695   28.409  164.259 46.105 226.872 23.706 -62.61313      51.84300 
1 1 1 -11 18 21 o 194.909 22.439 107.783   23.020  116.769   27.037  84.105    43.891  201.342 25.628 158.133 47.754 43.20857       54.19604 
1 1 1 -11 18 23 o 238.623 23.918 163.264   30.187  163.264   30.187  0.0000    0.0000  238.623 23.918 ?       ?      0.000000       23.91758 
1 1 1 -11 19 2  o 183.074 24.095 94.531    23.075  87.139    33.061  101.553   32.222  170.210 37.263 185.844 33.575 -15.63301      50.15771 
1 1 1 -11 19 4  o 191.344 19.459 101.414   19.685  83.197    34.061  110.550   24.120  165.563 39.013 198.607 23.083 -33.04385      45.33018 
1 1 1 -11 19 6  o 84.698  29.040 18.956    15.897  23.948    29.946  16.997    18.758  102.217 39.119 84.733  31.271 17.48369       50.08187 
1 1 1 -11 19 8  o 271.516 17.204 202.096   24.914  203.974   39.653  200.871   32.024  268.008 28.011 268.627 22.442 -0.6194153     35.89191 
1 1 1 -11 19 10 o 263.756 20.121 192.455   28.238  215.656   35.826  154.394   45.886  277.355 24.339 226.512 39.204 50.84317       46.14487 
1 1 1 -11 19 12 o 121.871 30.568 43.931    19.938  48.464    25.231  36.393    32.534  126.959 35.619 115.071 41.373 11.88793       54.59324 
1 1 1 -11 19 14 o 95.116  29.278 26.020    16.394  16.032    23.319  35.780    23.052  87.882  34.280 110.406 34.837 -22.52397      48.87498 
1 1 1 -11 19 16 o 158.033 23.489 71.182    19.296  106.426   30.650  48.042    24.835  190.131 31.147 125.677 35.367 64.45367       47.12704 
1 1 1 -11 19 18 o 134.702 34.711 55.702    25.224  61.635    33.199  47.600    38.796  139.272 41.414 125.614 45.177 13.65833       61.28691 
1 1 1 -11 19 20 o 73.637  29.967 8.5357    18.580  110.767   59.623  -2.4595   19.554  173.434 56.166 65.211  28.735 108.2223       63.08965 
1 1 1 -11 20 1  o 124.490 36.799 46.720    26.271  117.107   49.756  19.512    30.935  190.074 48.628 98.471  39.151 91.60230       62.43017 
1 1 1 -11 20 3  o 127.572 30.268 48.115    20.390  46.465    54.179  48.388    22.008  133.056 52.154 127.416 32.202 5.639626       61.29478 
1 1 1 -11 20 5  o 136.506 30.639 55.064    21.873  0.0000    0.0000  55.064    21.873  ?       ?      136.506 30.639 0.000000       30.63884 
1 1 1 -11 20 7  o 225.267 20.913 141.315   24.969  245.719   68.767  125.460   26.798  278.979 47.690 210.837 24.143 68.14209       53.45300 
1 1 1 -11 20 9  o 192.631 28.700 107.261   28.735  86.441    50.834  117.038   34.835  162.286 51.789 198.690 33.919 -36.40460      61.90778 
1 1 1 -11 20 11 o 169.539 24.507 81.971    21.630  42.358    51.437  90.480    23.840  128.155 50.632 177.734 25.770 -49.57936      56.81290 
1 1 1 -11 20 13 o 168.718 28.259 82.972    24.657  20.749    56.077  97.886    27.454  117.387 50.189 183.228 28.906 -65.84090      57.91803 
1 1 1 -10 0  2  o 553.336 30.221 831.396   89.042  831.396   89.042  831.396   89.042  553.336 30.221 553.336 30.221 0.000000       0.000000 
1 1 1 -10 0  4  o 1051.01 29.201 2979.46   164.252 2979.46   164.252 2979.46   164.252 1051.01 29.201 1051.01 29.201 0.000000       0.000000 
1 1 1 -10 0  6  o 597.302 21.801 962.211   69.603  962.211   69.603  962.211   69.603  597.302 21.801 597.302 21.801 0.000000       0.000000 
1 1 1 -10 0  8  o 833.490 36.238 1883.21   161.237 1883.21   161.237 1883.21   161.237 833.490 36.238 833.490 36.238 0.000000       0.000000 
1 1 1 -10 0  10 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -10 0  12 o 1396.58 35.767 5266.38   267.410 5266.38   267.410 5266.38   267.410 1396.58 35.767 1396.58 35.767 -0.000000      0.000000 
1 1 1 -10 0  14 o 255.647 20.205 178.756   27.295  178.756   27.295  178.756   27.295  255.647 20.205 255.647 20.205 0.000000       0.000000 
1 1 1 -10 0  16 o 442.683 29.578 534.473   69.480  534.473   69.480  534.473   69.480  442.683 29.578 442.683 29.578 -0.000000      0.000000 
1 1 1 -10 0  18 o 862.051 26.104 2004.83   120.395 2004.83   120.395 2004.83   120.395 862.051 26.104 862.051 26.104 0.000000       0.000000 
1 1 1 -10 0  20 o 647.096 23.272 1130.50   80.501  1130.50   80.501  1130.50   80.501  647.096 23.272 647.096 23.272 0.000000       0.000000 
1 1 1 -10 0  22 o 1074.43 42.621 3147.01   244.636 3147.01   244.636 3147.01   244.636 1074.43 42.621 1074.43 42.621 -0.000000      0.000000 
1 1 1 -10 0  24 o 485.907 21.668 639.062   56.191  639.062   56.191  639.062   56.191  485.907 21.668 485.907 21.668 -0.000000      0.000000 
1 1 1 -10 0  26 o 656.318 22.887 1165.38   80.309  1165.38   80.309  1165.38   80.309  656.318 22.887 656.318 22.887 -0.000000      0.000000 
1 1 1 -10 0  28 o 118.263 41.347 49.888    23.731  49.888    23.731  49.888    23.731  118.263 41.347 118.263 41.347 -0.000000      0.000000 
1 1 1 -10 0  30 o 300.974 23.372 249.929   37.190  249.929   37.190  249.929   37.190  300.974 23.372 300.974 23.372 -0.000000      0.000000 
1 1 1 -10 0  32 o 69.243  41.923 13.962    28.708  13.962    28.708  13.962    28.708  69.243  41.923 69.243  41.923 0.000000       0.000000 
1 1 1 -10 0  34 o 455.008 22.843 568.457   55.405  568.457   55.405  568.457   55.405  455.008 22.843 455.008 22.843 0.000000       0.000000 
1 1 1 -10 0  36 o 217.472 30.332 138.149   33.397  138.149   33.397  138.149   33.397  217.472 30.332 217.472 30.332 0.000000       0.000000 
1 1 1 -10 0  38 o 114.101 48.770 54.125    30.441  54.125    30.441  54.125    30.441  114.101 48.770 114.101 48.770 0.000000       0.000000 
1 1 1 -10 0  40 o 56.107  38.761 -22.9131  39.374  -22.9131  39.374  -22.9131  39.374  56.107  38.761 56.107  38.761 -0.000000      0.000000 
1 1 1 -10 0  42 o 58.041  38.882 -6.1790   33.727  -6.1790   33.727  -6.1790   33.727  58.041  38.882 58.041  38.882 0.000000       0.000000 
1 1 1 -10 0  44 o 144.166 58.941 92.101    44.875  92.101    44.875  92.101    44.875  144.166 58.941 144.166 58.941 0.000000       0.000000 
1 1 1 -10 0  46 o 136.369 75.469 125.898   80.810  125.898   80.810  125.898   80.810  136.369 75.469 136.369 75.469 -0.000000      0.000000 
1 1 1 -10 1  1  o 969.674 22.613 2531.23   117.556 2493.53   144.018 2606.48   203.497 961.357 27.942 979.989 38.732 -18.63141      47.75879 
1 1 1 -10 1  3  o 841.264 17.938 1902.30   80.904  1864.02   93.454  2016.82   161.631 832.348 20.942 862.968 34.935 -30.61957      40.73094 
1 1 1 -10 1  5  o 866.773 36.802 2036.85   171.019 0.0000    0.0000  2036.85   171.019 ?       ?      866.773 36.802 0.000000       36.80173 
1 1 1 -10 1  7  o 1082.38 20.932 3151.86   121.470 3151.58   171.740 3152.15   171.828 1080.38 29.650 1080.47 29.663 -0.9460449E-01 41.94048 
1 1 1 -10 1  9  o 856.533 36.641 1987.99   168.262 1987.99   168.262 0.0000    0.0000  856.533 36.641 ?       ?      0.000000       36.64129 
1 1 1 -10 1  11 o 1491.04 30.773 6005.15   245.994 6025.58   301.260 5964.29   426.129 1490.75 37.693 1474.45 53.906 16.30225       65.77760 
1 1 1 -10 1  13 o 1261.99 27.085 4295.39   183.256 4259.13   317.399 4313.53   224.445 1248.83 47.406 1262.73 33.153 -13.90466      57.84850 
1 1 1 -10 1  15 o 382.453 14.037 392.812   28.783  388.785   40.300  397.006   41.123  379.628 19.869 383.607 20.065 -3.979553      28.23839 
1 1 1 -10 1  17 f 873.822 21.210 2056.71   99.364  2114.24   172.170 2027.97   121.673 881.857 36.416 866.609 26.188 15.24768       44.85424 
1 1 1 -10 1  19 o 1077.33 21.074 3128.58   121.722 3195.05   172.149 3062.13   172.132 1085.82 29.572 1062.74 30.211 23.07690       42.27516 
1 1 1 -10 1  21 o 706.271 16.618 1342.53   62.925  1383.96   88.923  1300.99   89.057  715.732 23.174 693.765 23.943 21.96735       33.32109 
1 1 1 -10 1  23 o 328.881 15.031 291.087   26.502  274.749   37.152  308.016   37.817  318.081 21.919 337.037 21.034 -18.95636      30.37893 
1 1 1 -10 1  25 o 638.464 16.376 1099.50   56.056  1023.16   79.331  1175.63   79.219  613.697 24.111 658.422 22.442 -44.72443      32.93900 
1 1 1 -10 1  27 o 475.263 22.660 616.306   57.739  633.339   81.494  599.138   81.816  476.651 32.077 462.926 33.185 13.72501       46.15387 
1 1 1 -10 1  29 o 230.313 17.227 145.156   21.118  143.236   30.176  146.999   29.564  226.147 25.323 229.471 24.405 -3.323761      35.16930 
1 1 1 -10 1  31 o 332.856 16.111 302.549   28.750  303.644   40.423  301.427   40.899  329.619 23.019 328.190 23.398 1.429535       32.82256 
1 1 1 -10 1  33 o 376.374 16.040 389.081   32.366  356.459   45.653  422.046   45.893  354.193 24.186 387.218 22.199 -33.02502      32.82942 
1 1 1 -10 1  35 o 365.655 16.686 370.864   32.710  379.009   46.561  362.927   45.963  362.483 24.096 354.432 24.336 8.050934       34.24697 
1 1 1 -10 1  37 o 198.722 35.716 130.883   36.653  174.896   54.851  95.375    49.268  212.672 49.101 150.645 51.127 62.02715       70.88626 
1 1 1 -10 1  39 o 62.249  28.183 -2.8502   20.212  -2.7626   28.535  -2.9383   28.632  71.774  32.875 71.775  32.896 -0.1472473E-02 46.50730 
1 1 1 -10 1  41 f 128.929 48.426 85.538    45.375  85.538    45.375  0.0000    0.0000  128.929 48.426 ?       ?      0.000000       48.42619 
1 1 1 -10 1  43 o 93.282  36.581 36.214    26.664  25.087    37.981  47.027    37.441  85.757  38.747 98.435  41.502 -12.67805      56.77829 
1 1 1 -10 1  45 o 170.388 57.505 241.241   62.322  190.802   86.941  294.553   89.384  105.815 51.059 130.561 59.175 -24.74606      78.15796 
1 1 1 -10 2  2  o 1397.98 29.286 5275.17   219.496 5244.57   268.866 5336.30   380.067 1391.46 36.041 1396.47 50.764 -5.008545      62.25718 
1 1 1 -10 2  4  o 1188.08 31.487 3814.16   200.559 4042.26   283.759 3586.45   283.509 1218.73 43.428 1146.87 46.108 71.86133       63.34014 
1 1 1 -10 2  6  o 1429.83 29.752 5519.36   228.071 5514.13   279.392 5529.80   394.853 1426.59 36.529 1421.00 51.829 5.596313       63.40830 
1 1 1 -10 2  8  o 1391.87 29.128 5228.26   217.358 5315.22   376.367 5184.74   266.246 1394.14 50.354 1383.66 35.891 10.47815       61.83580 
1 1 1 -10 2  10 o 673.990 16.198 1220.27   58.532  1213.20   82.650  1227.37   82.904  671.330 22.963 675.248 22.900 -3.918213      32.43041 
1 1 1 -10 2  12 o 925.372 22.054 2304.61   109.414 2324.31   133.959 2265.13   189.637 928.421 26.913 913.656 38.714 14.76514       47.14955 
1 1 1 -10 2  14 o 936.899 22.155 2363.23   111.285 2458.52   192.786 2315.61   136.283 951.689 37.784 926.344 27.441 25.34485       46.69738 
1 1 1 -10 2  16 o 708.950 23.491 1354.89   89.287  1285.60   125.937 1424.91   126.608 688.458 34.120 725.176 32.565 -36.71832      47.16574 
1 1 1 -10 2  18 o 750.795 17.105 1516.28   68.850  1494.91   97.101  1537.90   97.639  744.174 24.338 754.843 24.127 -10.66901      34.26961 
1 1 1 -10 2  20 o 628.326 16.069 1062.05   54.131  1053.85   76.423  1070.31   76.684  624.778 22.815 629.657 22.716 -4.879272      32.19553 
1 1 1 -10 2  22 o 772.336 24.808 1614.80   102.725 1533.82   145.290 1695.75   145.261 748.602 36.200 787.919 34.387 -39.31683      49.92944 
1 1 1 -10 2  24 o 383.656 15.289 396.448   31.448  438.958   44.722  354.867   44.230  402.368 20.802 361.202 22.959 41.16595       30.98183 
1 1 1 -10 2  26 o 377.104 15.487 383.892   31.310  377.356   44.493  390.305   44.070  371.813 22.425 378.339 21.819 -6.526215      31.28805 
1 1 1 -10 2  28 o 162.361 21.295 73.236    18.090  80.677    25.230  65.365    25.950  168.229 29.022 149.848 33.177 18.38121       44.07969 
1 1 1 -10 2  30 o 210.776 21.042 123.522   23.460  159.376   40.128  104.903   28.917  234.180 32.866 190.931 29.175 43.24911       43.94746 
1 1 1 -10 2  32 o 254.601 23.732 183.381   32.020  171.837   45.326  194.882   45.241  238.150 36.677 255.972 33.792 -17.82211      49.87092 
1 1 1 -10 2  34 o 341.718 15.998 321.838   29.309  338.689   41.424  304.947   41.473  345.355 22.496 326.502 23.858 18.85233       32.79092 
1 1 1 -10 2  36 o 254.727 27.004 194.122   36.316  0.0000    0.0000  194.122   36.316  ?       ?      254.727 27.004 0.000000       27.00370 
1 1 1 -10 2  38 o 206.050 27.581 133.012   29.704  120.907   35.446  161.563   54.438  186.446 36.767 193.528 51.545 -7.082458      63.31451 
1 1 1 -10 2  40 o 54.185  26.160 -24.1228  22.894  -31.2928  29.614  -13.4718  36.094  59.920  29.122 72.723  34.485 -12.80273      45.13649 
1 1 1 -10 2  42 o 92.530  37.265 32.942    28.401  -6.8288   45.937  57.552    36.135  78.725  37.761 110.391 42.780 -31.66550      57.06203 
1 1 1 -10 2  44 o 138.528 43.997 101.012   36.721  118.315   68.494  94.032    43.501  108.350 50.098 120.046 46.822 -11.69601      68.57198 
1 1 1 -10 2  46 o 123.189 51.581 176.412   57.193  82.818    80.666  271.024   81.103  80.635  40.615 116.830 54.193 -36.19594      67.72373 
1 1 1 -10 3  1  o 743.033 16.833 1483.26   67.056  1430.25   94.835  1536.27   94.828  728.765 24.272 755.413 23.414 -26.64813      33.72489 
1 1 1 -10 3  3  o 615.477 17.968 1018.02   59.289  976.162   72.583  1101.94   102.779 602.265 22.479 638.912 30.005 -36.64807      37.49126 
1 1 1 -10 3  5  o 650.399 22.594 1138.47   78.783  1120.86   111.665 1155.92   111.169 643.194 32.487 654.113 31.700 -10.91858      45.39078 
1 1 1 -10 3  7  o 716.281 16.642 1378.30   63.908  1354.71   73.851  1448.62   127.526 709.852 19.405 732.117 32.490 -22.26483      37.84389 
1 1 1 -10 3  9  o 511.678 14.806 703.035   40.617  698.192   47.002  717.316   80.713  509.760 17.198 514.739 29.369 -4.978302      34.03386 
1 1 1 -10 3  11 o 306.754 16.051 253.456   26.306  261.302   31.788  236.404   46.861  311.170 19.147 294.390 30.114 16.78024       35.68602 
1 1 1 -10 3  13 o 658.281 18.595 1165.10   65.625  1170.55   80.238  1154.08   114.054 659.337 22.699 653.147 32.571 6.190247       39.69998 
1 1 1 -10 3  15 o 824.182 20.628 1828.53   91.149  1788.38   111.477 1909.52   158.323 814.178 25.539 838.896 35.202 -24.71863      43.48994 
1 1 1 -10 3  17 o 686.941 18.975 1270.12   69.884  1391.91   121.060 1209.24   85.584  716.577 31.511 669.493 23.844 47.08417       39.51569 
1 1 1 -10 3  19 o 591.526 17.525 941.728   55.578  906.462   95.695  959.678   68.273  577.084 31.044 596.561 21.346 -19.47699      37.67495 
1 1 1 -10 3  21 o 817.319 25.553 1808.34   111.969 1837.30   158.084 1779.18   158.613 819.927 35.962 806.544 36.681 13.38312       51.36866 
1 1 1 -10 3  23 o 522.485 15.347 734.994   42.990  752.917   60.644  716.890   60.950  527.726 21.434 514.812 22.083 12.91443       30.77456 
1 1 1 -10 3  25 o 943.778 22.535 2418.74   114.027 2468.76   139.516 2318.09   197.891 950.592 27.375 910.979 40.518 39.61316       48.89898 
1 1 1 -10 3  27 o 598.490 23.399 980.493   75.079  1030.46   106.180 930.528   106.176 606.778 32.761 575.133 34.595 31.64496       47.64531 
1 1 1 -10 3  29 f 241.843 17.324 160.197   22.313  146.603   31.753  173.459   31.362  228.077 26.459 249.445 23.737 -21.36784      35.54626 
1 1 1 -10 3  31 f 390.895 17.855 419.491   37.419  394.491   46.498  465.439   63.037  375.400 23.217 402.856 29.389 -27.45602      37.45267 
1 1 1 -10 3  33 o 362.295 18.310 364.355   35.449  432.264   61.843  331.122   43.262  383.622 30.316 341.339 23.789 42.28290       38.53529 
1 1 1 -10 3  35 o 267.968 20.403 203.861   29.092  224.274   49.452  193.059   35.975  267.129 35.402 255.852 26.616 11.27725       44.29123 
1 1 1 -10 3  37 o 192.189 28.338 114.820   28.323  127.937   33.886  84.422    51.587  198.412 33.016 139.041 51.750 59.37083       61.38506 
1 1 1 -10 3  39 o 123.979 33.646 54.172    22.935  52.167    34.762  55.717    30.520  113.366 42.424 119.012 40.241 -5.646118      58.47347 
1 1 1 -10 3  41 f 72.546  32.413 5.7506    25.761  24.123    41.746  -5.5489   32.738  91.126  40.948 72.330  33.843 18.79627       53.12356 
1 1 1 -10 3  43 o 58.900  28.406 -18.7182  26.831  -67.4928  41.992  14.932    34.879  59.619  29.932 79.428  36.368 -19.80835      47.10192 
1 1 1 -10 3  45 o 114.233 48.169 116.407   50.447  174.339   108.526 100.439   56.977  92.747  46.766 100.030 46.052 -7.283348      65.63369 
1 1 1 -10 4  2  o 862.698 20.569 2001.53   95.136  1955.83   116.553 2092.77   164.680 852.053 25.514 879.476 34.926 -27.42297      43.25278 
1 1 1 -10 4  4  o 335.293 13.553 301.783   24.364  295.057   34.114  308.786   34.807  330.737 19.323 338.375 19.266 -7.638123      27.28694 
1 1 1 -10 4  6  o 869.128 20.967 2031.71   97.700  2103.86   119.829 1888.65   168.741 883.754 25.291 834.860 37.699 48.89429       45.39672 
1 1 1 -10 4  8  o 726.867 19.277 1420.36   75.122  1420.36   75.122  0.0000    0.0000  726.867 19.277 ?       ?      0.000000       19.27719 
1 1 1 -10 4  10 o 519.397 17.055 724.861   47.492  696.586   58.145  781.533   82.319  508.832 21.314 537.424 28.674 -28.59204      35.72773 
1 1 1 -10 4  12 o 1123.97 24.933 3404.81   150.242 3312.64   183.984 3589.29   260.296 1107.03 30.999 1148.23 42.283 -41.20813      52.42914 
1 1 1 -10 4  14 o 909.948 18.857 2227.29   91.993  2171.60   129.926 2283.28   130.269 896.868 27.021 919.785 26.417 -22.91748      37.78862 
1 1 1 -10 4  16 o 726.004 19.129 1418.64   74.457  1268.94   128.440 1494.41   91.377  682.485 35.222 744.493 22.893 -62.00824      42.00862 
1 1 1 -10 4  18 o 779.391 19.850 1636.46   82.945  1510.60   143.209 1699.99   101.749 744.662 35.871 793.490 23.918 -48.82813      43.11332 
1 1 1 -10 4  20 o 755.294 19.697 1537.79   79.759  1624.99   138.276 1494.32   97.638  772.394 33.392 743.410 24.497 28.98468       41.41402 
1 1 1 -10 4  22 o 403.365 16.827 438.309   36.390  452.871   44.563  409.167   63.042  409.553 20.295 386.366 30.687 23.18658       36.79113 
1 1 1 -10 4  24 o 424.494 17.410 486.470   39.622  445.974   47.553  578.433   71.660  405.019 21.982 459.062 29.269 -54.04318      36.60385 
1 1 1 -10 4  26 o 226.709 25.853 142.675   30.861  170.255   44.623  117.389   42.726  244.687 35.014 200.223 41.177 44.46402       54.05115 
1 1 1 -10 4  28 o 146.149 23.763 60.263    17.980  71.472    24.805  47.853    26.100  157.254 30.522 127.557 36.383 29.69669       47.48983 
1 1 1 -10 4  30 o 163.338 22.537 75.235    19.210  73.086    26.384  77.659    28.024  157.122 32.397 161.625 33.443 -4.503555      46.56225 
1 1 1 -10 4  32 o 392.712 18.285 425.848   38.499  332.833   64.723  476.778   47.893  331.181 37.089 412.565 21.729 -81.38351      42.98514 
1 1 1 -10 4  34 o 167.918 22.112 80.983    19.422  51.197    26.650  114.725   28.365  126.347 36.983 196.938 27.624 -70.59047      46.16071 
1 1 1 -10 4  36 o 261.454 22.123 198.627   30.720  230.774   36.862  125.541   55.581  279.127 24.894 173.083 54.014 106.0444       59.47484 
1 1 1 -10 4  38 o 100.981 33.206 34.777    20.808  10.461    31.214  54.224    27.915  82.638  36.363 121.035 38.351 -38.39649      52.84982 
1 1 1 -10 4  40 o 216.680 27.513 151.003   31.241  149.683   40.040  153.057   49.948  200.755 38.603 184.135 49.519 16.61996       62.78812 
1 1 1 -10 4  42 o 77.814  34.405 13.706    28.268  -48.6176  47.149  48.682    35.321  68.386  33.914 103.152 41.552 -34.76614      53.63528 
1 1 1 -10 4  44 o 86.258  37.545 34.709    32.483  53.891    114.083 33.017    33.885  87.581  44.563 85.070  37.638 2.511208       58.33103 
1 1 1 -10 5  1  o 1212.91 32.588 3976.85   211.915 3976.85   211.915 0.0000    0.0000  1212.91 32.588 ?       ?      0.000000       32.58836 
1 1 1 -10 5  3  o 1210.37 26.485 3948.53   171.866 3828.92   297.845 4008.23   210.434 1185.07 46.879 1217.90 32.228 -32.83228      56.88804 
1 1 1 -10 5  5  o 1213.37 32.588 3979.15   211.996 3628.08   299.930 4329.65   299.685 1152.89 48.524 1261.31 44.317 -108.4218      65.71627 
1 1 1 -10 5  7  o 1311.24 27.620 4636.77   194.165 4714.44   237.871 4481.71   336.110 1320.28 33.605 1280.94 48.942 39.33557       59.36845 
1 1 1 -10 5  9  o 949.674 22.377 2427.65   113.932 2447.71   139.627 2387.69   197.087 952.621 27.339 937.831 39.198 14.79065       47.78985 
1 1 1 -10 5  11 o 693.615 23.058 1295.79   85.744  1295.79   85.744  0.0000    0.0000  693.615 23.058 ?       ?      0.000000       23.05750 
1 1 1 -10 5  13 o 1091.75 24.492 3213.93   143.355 3125.16   175.550 3391.62   248.368 1074.85 30.464 1115.42 41.532 -40.57275      51.50693 
1 1 1 -10 5  15 o 566.823 17.810 864.264   54.123  837.354   93.112  877.996   66.513  555.037 31.419 570.823 21.734 -15.78546      38.20385 
1 1 1 -10 5  17 o 932.033 22.283 2342.93   111.346 2406.57   136.275 2215.13   193.126 943.276 26.947 900.169 40.017 43.10681       48.24410 
1 1 1 -10 5  19 o 571.413 17.988 879.240   55.107  866.314   94.974  885.800   67.661  563.716 31.551 572.895 22.029 -9.178772      38.48083 
1 1 1 -10 5  21 o 697.304 19.189 1311.49   71.737  1398.01   88.003  1140.15   123.852 719.017 22.829 644.243 36.002 74.77362       42.62957 
1 1 1 -10 5  23 o 287.881 15.472 223.972   23.792  272.743   33.634  175.124   33.660  316.981 19.892 252.628 25.188 64.35385       32.09549 
1 1 1 -10 5  25 o 424.954 22.043 492.953   50.047  555.946   69.514  425.162   72.113  448.448 29.069 389.264 34.926 59.18369       45.44031 
1 1 1 -10 5  27 f 299.813 18.146 245.510   29.031  197.169   48.423  272.634   36.272  261.712 35.421 314.802 21.623 -53.08966      41.49912 
1 1 1 -10 5  29 o 457.457 15.767 569.779   38.668  636.657   54.786  503.391   54.585  480.527 21.266 425.043 24.052 55.48367       32.10524 
1 1 1 -10 5  31 o 288.250 19.703 230.826   30.266  270.313   51.446  209.926   37.428  303.649 32.088 271.307 26.052 32.34207       41.33181 
1 1 1 -10 5  33 o 122.504 30.660 45.791    20.089  70.404    28.684  22.092    28.146  149.462 36.183 96.025  37.604 53.43700       52.18516 
1 1 1 -10 5  35 o 288.740 21.463 239.166   32.988  261.262   56.457  227.713   40.648  283.244 38.148 275.657 27.888 7.587067       47.25490 
1 1 1 -10 5  37 o 189.815 30.691 115.696   30.167  124.742   36.958  97.636    52.221  189.584 37.689 145.992 52.424 43.59116       64.56557 
1 1 1 -10 5  39 o 92.054  37.016 27.248    27.975  36.814    35.934  12.528    44.574  101.009 41.454 90.127  41.211 10.88155       58.45298 
1 1 1 -10 5  41 o 180.840 37.963 124.334   35.634  72.380    63.365  148.365   43.095  111.744 50.309 188.978 43.443 -77.23363      66.47032 
1 1 1 -10 5  43 o 161.458 43.396 122.904   38.372  102.688   82.558  128.475   43.338  102.993 49.712 154.597 47.606 -51.60468      68.83025 
1 1 1 -10 5  45 o 65.548  32.359 -11.6641  41.200  -18.0379  112.790 -10.6827  44.258  75.467  38.785 66.897  33.119 8.570564       51.00113 
1 1 1 -10 6  2  o 820.897 17.957 1811.37   79.032  1840.80   111.807 1781.98   111.730 826.438 25.234 813.059 25.632 13.37823       35.96866 
1 1 1 -10 6  4  o 348.495 15.706 326.236   29.345  381.488   51.509  299.686   35.706  375.331 25.753 333.196 20.082 42.13437       32.65739 
1 1 1 -10 6  6  o 774.662 24.652 1616.96   102.385 0.0000    0.0000  1616.96   102.385 ?       ?      774.662 24.652 0.000000       24.65198 
1 1 1 -10 6  8  o 1045.57 23.856 2945.23   133.729 3103.07   231.470 2866.14   163.839 1068.25 40.416 1030.03 29.669 38.21899       50.13633 
1 1 1 -10 6  10 o 1098.19 24.616 3251.18   144.930 3251.18   144.930 0.0000    0.0000  1098.19 24.616 ?       ?      0.000000       24.61555 
1 1 1 -10 6  12 o 836.000 18.014 1879.64   80.741  1811.87   93.178  2083.86   161.763 820.280 21.188 876.461 34.425 -56.18079      40.42279 
1 1 1 -10 6  14 o 430.525 14.666 498.049   33.851  532.536   38.970  392.035   68.325  445.055 16.332 378.531 34.031 66.52356       37.74704 
1 1 1 -10 6  16 o 659.545 16.263 1169.87   57.507  1174.35   66.301  1156.25   115.557 660.460 18.724 651.556 33.190 8.903748       38.10772 
1 1 1 -10 6  18 o 531.289 21.954 761.717   62.533  806.443   87.636  715.322   89.255  544.265 30.151 511.797 32.699 32.46802       44.47834 
1 1 1 -10 6  20 o 792.207 20.498 1694.09   87.060  1676.96   106.558 1728.50   150.984 786.777 25.262 794.754 35.435 -7.977356      43.51738 
1 1 1 -10 6  22 o 301.650 18.139 246.533   29.198  313.614   50.228  212.295   35.884  338.080 27.962 278.623 24.264 59.45773       37.02212 
1 1 1 -10 6  24 o 430.551 17.664 501.773   40.775  476.654   49.696  553.510   71.323  417.887 22.262 447.272 29.916 -29.38504      37.29014 
1 1 1 -10 6  26 o 159.965 23.637 71.677    19.661  84.552    24.287  47.194    33.491  172.950 27.081 128.768 42.118 44.18111       50.07307 
1 1 1 -10 6  28 o 353.831 15.690 340.495   29.764  362.663   41.794  317.682   42.396  362.252 21.618 338.018 23.542 24.23450       31.96173 
1 1 1 -10 6  30 o 251.991 25.749 180.435   34.298  149.752   50.949  205.864   46.383  217.142 45.233 264.430 33.466 -47.28793      56.26699 
1 1 1 -10 6  32 f 107.531 34.957 34.692    23.083  63.734    28.304  -22.9927  39.890  142.454 36.799 81.083  37.744 61.37084       52.71447 
1 1 1 -10 6  34 o 170.069 28.464 87.203    25.036  103.871   43.346  78.860    30.668  171.217 46.167 155.592 37.258 15.62433       59.32552 
1 1 1 -10 6  36 o 102.446 37.301 34.458    26.559  27.213    31.979  50.567    47.685  97.392  39.430 117.339 47.908 -19.94647      62.04770 
1 1 1 -10 6  38 o 338.807 26.902 357.571   48.465  276.334   70.474  430.465   66.756  250.701 54.025 354.114 35.647 -103.4123      64.72577 
1 1 1 -10 6  40 o 139.214 38.527 74.628    29.730  75.029    44.324  74.300    40.084  124.619 47.616 127.217 45.901 -2.597801      66.13770 
1 1 1 -10 6  42 o 108.963 41.358 56.188    33.300  70.038    66.102  51.478    38.548  103.741 48.391 102.454 42.575 1.287094       64.45390 
1 1 1 -10 6  44 o 204.917 49.472 237.655   53.733  233.676   92.199  239.701   66.124  114.529 54.540 162.038 58.879 -47.50865      80.25797 
1 1 1 -10 7  1  o 216.155 13.559 125.958   15.633  125.523   22.388  126.373   21.840  215.115 19.628 215.919 19.062 -0.8039856     27.36091 
1 1 1 -10 7  3  o 1085.26 21.113 3170.24   122.844 3181.44   173.753 3159.05   173.701 1084.95 29.871 1081.09 29.969 3.853149       42.31339 
1 1 1 -10 7  5  o 1087.77 24.293 3189.17   141.676 3141.82   245.534 3212.80   173.466 1073.62 42.657 1090.34 29.674 -16.71851      51.96313 
1 1 1 -10 7  7  o 232.261 13.830 145.382   17.144  136.003   24.009  155.138   24.488  223.910 20.218 239.385 19.243 -15.47478      27.91130 
1 1 1 -10 7  9  o 591.668 17.957 941.404   56.963  974.010   69.565  875.054   99.236  601.404 21.575 567.430 32.760 33.97375       39.22597 
1 1 1 -10 7  11 o 655.831 18.712 1157.21   65.795  1194.28   80.789  1084.22   113.380 665.686 22.637 631.382 33.616 34.30450       40.52697 
1 1 1 -10 7  13 o 396.989 14.371 423.457   30.588  413.263   35.234  454.646   61.628  392.017 16.764 409.036 28.276 -17.01929      32.87227 
1 1 1 -10 7  15 o 761.532 24.382 1565.99   99.547  1521.77   140.169 1611.00   141.401 747.834 34.960 769.672 34.267 -21.83777      48.95349 
1 1 1 -10 7  17 o 551.390 18.064 818.725   53.402  820.529   65.285  815.078   92.832  551.378 22.085 546.671 31.811 4.707275       38.72598 
1 1 1 -10 7  19 o 265.189 17.690 190.344   25.007  190.344   25.007  0.0000    0.0000  265.189 17.690 ?       ?      0.000000       17.69009 
1 1 1 -10 7  21 o 478.571 17.857 618.283   45.816  650.393   55.363  548.504   81.613  490.168 21.067 445.305 34.453 44.86270       40.38326 
1 1 1 -10 7  23 o 300.299 18.274 245.133   29.282  253.910   35.375  226.029   52.188  304.770 21.793 283.063 35.145 21.70721       41.35346 
1 1 1 -10 7  25 o 281.116 16.039 214.858   24.073  209.034   34.050  220.677   34.038  275.138 23.302 282.976 22.625 -7.838440      32.47909 
1 1 1 -10 7  27 o 187.530 24.028 98.761    23.603  101.585   37.744  96.947    30.246  183.808 39.479 182.700 32.047 1.108246       50.84904 
1 1 1 -10 7  29 o 94.219  30.884 24.940    18.004  16.979    20.659  50.078    36.711  86.208  32.611 129.268 44.132 -43.05966      54.87358 
1 1 1 -10 7  31 o 172.583 27.411 86.939    24.515  108.720   29.069  33.295    45.620  192.453 29.080 117.029 47.195 75.42433       55.43445 
1 1 1 -10 7  33 o 202.808 29.862 123.696   31.498  93.112    45.679  151.421   43.491  161.042 48.736 217.226 38.766 -56.18472      62.27309 
1 1 1 -10 7  35 o 182.045 29.545 102.994   27.847  101.007   33.624  107.334   49.690  173.389 37.279 162.335 51.139 11.05449       63.28432 
1 1 1 -10 7  37 o 121.312 42.674 56.834    34.432  113.151   51.249  10.495    46.487  157.939 52.122 92.986  42.350 64.95236       67.15819 
1 1 1 -10 7  39 o 151.237 32.585 78.096    25.641  62.281    42.757  86.978    32.042  118.745 46.391 152.225 39.066 -33.47901      60.64842 
1 1 1 -10 7  41 o 81.563  36.239 15.653    31.737  0.0000    0.0000  15.653    31.737  ?       ?      81.563  36.239 0.000000       36.23926 
1 1 1 -10 7  43 o 186.601 47.030 179.298   47.033  144.919   84.572  194.692   56.592  107.328 51.416 170.265 54.676 -62.93723      75.05384 
1 1 1 -10 8  2  o 441.076 14.210 522.588   33.604  547.831   47.610  497.526   47.437  451.178 19.682 429.885 20.582 21.29257       28.47858 
1 1 1 -10 8  4  o 454.113 16.595 554.336   40.404  578.218   70.164  542.488   49.420  461.694 28.485 448.905 20.534 12.78925       35.11485 
1 1 1 -10 8  6  o 496.752 14.671 662.932   39.071  631.801   55.220  694.142   55.290  484.366 21.264 507.803 20.309 -23.43680      29.40427 
1 1 1 -10 8  8  o 748.607 16.974 1506.79   68.125  1553.65   96.379  1460.01   96.308  759.080 23.682 735.714 24.416 23.36566       34.01480 
1 1 1 -10 8  10 o 705.528 18.874 1339.54   71.390  1482.04   87.569  1057.14   123.276 741.587 22.025 622.260 37.121 119.3276       43.16310 
1 1 1 -10 8  12 o 1122.52 24.717 3401.73   148.749 3538.16   182.220 3129.23   257.527 1143.01 29.735 1067.97 44.977 75.04297       53.91793 
1 1 1 -10 8  14 o 331.328 16.760 296.079   29.675  300.284   36.219  287.492   51.759  333.199 20.373 324.273 30.116 8.926208       36.35924 
1 1 1 -10 8  16 o 555.196 17.921 830.172   53.342  827.606   65.331  835.304   92.390  553.680 22.008 553.428 31.266 0.2516479      38.23536 
1 1 1 -10 8  18 o 457.457 17.384 564.013   42.636  564.013   42.636  0.0000    0.0000  457.457 17.384 ?       ?      0.000000       17.38406 
1 1 1 -10 8  20 o 487.310 17.385 641.122   45.421  627.261   55.170  670.277   80.017  481.139 21.388 493.820 30.371 -12.68149      37.14570 
1 1 1 -10 8  22 o 338.709 21.562 313.324   38.952  313.324   38.952  0.0000    0.0000  338.709 21.562 ?       ?      0.000000       21.56220 
1 1 1 -10 8  24 o 238.452 17.010 155.062   21.603  135.078   29.761  177.321   31.408  220.014 25.715 253.235 23.399 -33.22133      34.76735 
1 1 1 -10 8  26 o 377.632 22.325 394.014   44.998  0.0000    0.0000  394.014   44.998  ?       ?      377.632 22.325 0.000000       22.32500 
1 1 1 -10 8  28 o 413.936 22.474 476.683   49.688  539.847   69.637  411.170   70.920  434.451 30.082 374.071 35.800 60.37976       46.76091 
1 1 1 -10 8  30 o 264.077 17.037 192.365   23.992  187.586   33.111  197.648   34.812  257.069 24.313 263.552 24.933 -6.482452      34.82523 
1 1 1 -10 8  32 o 279.080 20.733 219.893   30.800  209.670   55.119  224.535   37.140  254.184 41.907 278.799 25.117 -24.61560      48.85743 
1 1 1 -10 8  34 o 212.872 33.847 144.353   37.336  212.602   53.336  78.776    52.281  250.064 41.219 140.138 52.109 109.9254       66.44099 
1 1 1 -10 8  36 o 75.709  33.024 5.7364    25.250  20.482    31.072  -22.9333  43.326  91.078  38.067 78.878  37.513 12.19949       53.44522 
1 1 1 -10 8  38 o 80.801  32.392 17.255    21.351  -26.2415  34.897  43.279    26.993  68.648  32.923 109.131 37.817 -40.48392      50.14087 
1 1 1 -10 8  40 o 54.156  26.807 -46.4335  28.952  0.0000    0.0000  -46.4335  28.952  ?       ?      54.156  26.807 0.000000       26.80653 
1 1 1 -10 8  42 f 110.597 41.167 60.475    32.647  26.754    63.735  72.470    38.013  88.606  42.985 115.351 44.091 -26.74583      61.57686 
1 1 1 -10 9  1  o 568.168 17.701 868.378   53.920  881.700   66.048  841.760   93.363  572.032 21.536 556.456 31.423 15.57574       38.09501 
1 1 1 -10 9  3  o 323.226 19.998 282.346   34.485  303.741   49.141  261.589   48.404  334.101 27.684 309.549 29.524 24.55179       40.47323 
1 1 1 -10 9  5  o 322.397 16.311 280.144   28.101  285.128   34.270  269.916   49.094  324.851 19.771 314.493 29.460 10.35751       35.47960 
1 1 1 -10 9  7  o 588.422 17.911 931.459   56.503  925.846   68.882  943.003   98.790  586.128 21.920 589.085 31.393 -2.956238      38.28846 
1 1 1 -10 9  9  o 698.579 16.700 1312.42   62.547  1259.65   88.221  1365.75   88.689  683.203 24.085 711.557 23.248 -28.35492      33.47514 
1 1 1 -10 9  11 o 702.148 19.314 1327.70   72.708  1335.07   88.835  1312.75   126.545 703.304 23.560 694.842 33.969 8.462341       41.33980 
1 1 1 -10 9  13 o 279.739 16.669 211.315   24.886  212.507   30.570  208.972   42.848  280.009 20.506 276.061 29.403 3.948456       35.84746 
1 1 1 -10 9  15 o 251.071 15.174 170.217   20.330  174.623   23.538  157.278   40.336  254.027 17.388 238.142 32.437 15.88451       36.80297 
1 1 1 -10 9  17 o 139.008 23.801 53.810    17.100  53.810    17.100  0.0000    0.0000  139.008 23.801 ?       ?      0.000000       23.80095 
1 1 1 -10 9  19 f 611.701 18.701 1012.18   61.330  943.414   75.041  1150.52   106.434 588.923 23.767 647.245 30.672 -58.32233      38.80228 
1 1 1 -10 9  21 o 229.526 16.744 143.301   20.462  150.854   23.252  117.371   43.083  235.139 18.596 200.241 41.495 34.89841       45.47105 
1 1 1 -10 9  23 o 200.336 20.865 110.735   22.082  103.928   26.232  127.290   40.906  192.477 26.093 208.776 37.943 -16.29973      46.04934 
1 1 1 -10 9  25 o 254.680 16.136 177.012   21.918  178.237   25.113  173.095   44.903  254.857 18.506 243.942 35.365 10.91429       39.91423 
1 1 1 -10 9  27 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -10 9  29 o 333.533 16.428 304.907   29.376  307.940   41.773  301.940   41.317  330.541 23.730 327.308 23.706 3.232941       33.54245 
1 1 1 -10 9  31 o 277.232 21.550 217.411   31.779  292.479   56.772  183.157   38.350  309.560 34.811 248.920 29.297 60.64012       45.49864 
1 1 1 -10 9  33 o 200.221 26.871 120.026   28.117  110.689   33.726  141.305   50.914  185.574 35.186 195.446 48.752 -9.871460      60.12299 
1 1 1 -10 9  35 o 112.858 36.626 43.395    25.345  14.138    31.501  97.095    42.678  87.726  37.565 157.716 46.969 -69.98966      60.14307 
1 1 1 -10 9  37 o 172.811 29.002 94.809    25.918  102.680   37.024  87.244    36.295  166.287 41.625 150.974 42.849 15.31296       59.73879 
1 1 1 -10 9  39 o 238.873 28.804 185.517   36.144  309.922   64.183  127.743   43.739  279.280 44.348 173.314 46.223 105.9662       64.05695 
1 1 1 -10 9  41 o 54.327  26.896 -42.3022  29.197  -72.6118  58.075  -32.0500  33.776  69.747  35.042 61.754  30.248 7.992393       46.29143 
1 1 1 -10 10 2  o 748.464 19.547 1508.95   78.439  1509.49   136.154 1508.68   95.964  744.956 34.090 747.499 23.946 -2.542969      41.65968 
1 1 1 -10 10 4  o 1668.81 29.397 7545.83   263.013 7727.67   371.972 7364.02   371.942 1680.11 41.295 1639.25 42.321 40.86548       59.13029 
1 1 1 -10 10 6  o 696.311 16.485 1304.17   61.542  1373.30   87.242  1235.69   86.828  713.416 22.809 676.503 23.940 36.91321       33.06605 
1 1 1 -10 10 8  o 318.614 14.094 272.839   24.075  239.952   34.017  305.845   34.078  297.524 21.470 336.452 18.969 -38.92831      28.64934 
1 1 1 -10 10 10 o 462.498 14.777 575.183   36.642  504.657   51.183  649.327   52.480  431.823 22.183 490.780 19.945 -58.95709      29.83112 
1 1 1 -10 10 12 o 792.893 20.295 1696.39   86.274  1566.99   148.378 1762.48   106.042 756.496 36.584 806.978 24.510 -50.48206      44.03565 
1 1 1 -10 10 14 o 587.736 15.833 930.395   49.890  905.763   57.351  1007.02   101.153 579.410 18.462 606.570 31.211 -27.15997      36.26232 
1 1 1 -10 10 16 o 423.858 21.587 488.065   48.892  488.065   48.892  0.0000    0.0000  423.858 21.587 ?       ?      0.000000       21.58676 
1 1 1 -10 10 18 f 471.741 17.677 602.001   44.709  567.789   54.635  671.349   77.786  456.918 22.303 493.371 29.543 -36.45288      37.01651 
1 1 1 -10 10 20 o 285.124 15.279 220.391   23.272  224.885   26.756  206.428   47.163  287.542 17.438 270.337 33.241 17.20425       37.53734 
1 1 1 -10 10 22 o 252.876 23.900 177.222   32.019  181.331   44.307  172.730   46.322  251.917 33.646 244.503 36.452 7.414642       49.60651 
1 1 1 -10 10 24 o 503.866 15.449 689.434   41.734  689.917   47.990  687.937   84.536  502.985 17.796 491.952 32.229 11.03326       36.81623 
1 1 1 -10 10 26 o 282.529 38.753 238.136   57.153  238.136   57.153  0.0000    0.0000  282.529 38.753 ?       ?      0.000000       38.75257 
1 1 1 -10 10 28 o 104.550 28.918 32.302    16.755  30.419    17.966  44.873    46.417  101.735 30.515 126.901 48.671 -25.16579      57.44556 
1 1 1 -10 10 30 o 192.957 30.704 111.535   30.699  85.747    38.911  154.054   49.964  160.169 43.973 215.871 44.644 -55.70169      62.66397 
1 1 1 -10 10 32 o 138.739 38.135 64.152    29.244  46.568    34.549  108.588   54.923  118.421 42.629 164.981 53.935 -46.55968      68.74744 
1 1 1 -10 10 34 o 230.266 25.882 158.903   31.399  198.686   42.172  109.415   47.035  251.030 32.067 166.977 49.204 84.05295       58.73129 
1 1 1 -10 10 36 o 186.096 28.121 107.780   27.182  129.402   39.314  87.979    37.623  192.045 39.502 152.130 43.773 39.91507       58.96170 
1 1 1 -10 10 38 o 89.053  37.290 22.282    29.895  60.596    53.772  5.1422    35.965  115.550 49.269 82.161  37.354 33.38905       61.82804 
1 1 1 -10 10 40 o 61.304  29.720 -25.6628  30.334  21.215    56.333  -44.8060  35.999  91.289  43.229 61.068  30.166 30.22112       52.71375 
1 1 1 -10 11 1  o 697.620 23.407 1316.55   87.545  0.0000    0.0000  1316.55   87.545  ?       ?      697.620 23.407 0.000000       23.40686 
1 1 1 -10 11 3  o 861.457 18.370 2000.09   84.843  2024.92   120.078 1975.33   119.895 864.493 25.908 853.740 26.194 10.75281       36.84227 
1 1 1 -10 11 5  o 804.297 20.564 1745.83   88.676  1728.50   108.735 1780.26   153.225 798.888 25.387 806.869 35.420 -7.981812      43.57879 
1 1 1 -10 11 7  o 678.295 16.371 1238.84   59.533  1309.43   84.339  1168.75   84.047  695.948 22.604 657.185 23.854 38.76263       32.86243 
1 1 1 -10 11 9  o 485.939 17.251 636.393   44.944  641.131   78.508  634.083   54.816  484.131 30.401 484.415 21.107 -0.2842407     37.00961 
1 1 1 -10 11 11 o 785.493 25.191 1675.14   106.085 0.0000    0.0000  1675.14   106.085 ?       ?      785.493 25.191 0.000000       25.19065 
1 1 1 -10 11 13 o 286.727 17.787 222.836   27.208  242.413   47.735  213.417   33.113  296.067 30.510 279.697 22.266 16.37012       37.77113 
1 1 1 -10 11 15 o 526.519 18.128 749.841   51.173  749.841   51.173  0.0000    0.0000  526.519 18.128 ?       ?      0.000000       18.12809 
1 1 1 -10 11 17 o 319.924 14.783 276.332   25.356  283.318   29.061  254.055   51.893  323.178 16.831 301.060 32.675 22.11816       36.75504 
1 1 1 -10 11 19 o 453.401 17.407 557.557   42.314  518.831   50.844  644.809   76.318  435.949 21.754 481.439 29.713 -45.48993      36.82477 
1 1 1 -10 11 21 o 349.048 15.406 330.189   28.829  320.385   33.094  361.047   58.712  342.671 18.077 358.011 30.891 -15.33954      35.79195 
1 1 1 -10 11 23 o 246.403 20.964 167.807   27.431  164.505   33.787  174.193   46.986  241.814 26.495 243.676 37.139 -1.862885      45.62145 
1 1 1 -10 11 25 o 114.035 31.271 38.316    19.691  38.316    19.691  0.0000    0.0000  114.035 31.271 ?       ?      0.000000       31.27079 
1 1 1 -10 11 27 o 230.326 18.808 147.159   23.022  153.557   25.383  117.482   54.667  234.634 20.381 185.829 52.534 48.80540       56.34917 
1 1 1 -10 11 29 o 310.340 26.232 278.299   43.236  254.355   56.994  310.758   66.360  285.631 38.173 313.419 40.435 -27.78775      55.60734 
1 1 1 -10 11 31 o 170.536 38.991 96.035    34.873  73.387    44.219  133.294   56.716  141.907 48.435 185.327 53.867 -43.41995      72.44036 
1 1 1 -10 11 33 o 65.895  28.143 3.5876    17.598  3.5876    17.598  0.0000    0.0000  65.895  28.143 ?       ?      0.000000       28.14337 
1 1 1 -10 11 35 o 118.469 35.649 47.638    24.492  59.285    38.910  39.995    31.519  125.196 45.215 108.647 40.448 16.54909       60.66697 
1 1 1 -10 11 37 o 195.767 39.163 138.164   39.668  0.0000    0.0000  138.164   39.668  ?       ?      195.767 39.163 0.000000       39.16272 
1 1 1 -10 11 39 o 114.549 41.011 56.404    31.936  64.228    66.188  54.030    36.461  108.219 49.752 109.773 42.852 -1.554489      65.66265 
1 1 1 -10 12 2  o 156.071 18.303 66.666    15.024  51.682    27.966  72.745    17.813  134.694 37.398 162.641 20.913 -27.94638      42.84839 
1 1 1 -10 12 4  f 283.328 16.121 217.103   24.387  186.691   29.934  277.120   42.051  261.718 21.524 318.453 24.826 -56.73502      32.85783 
1 1 1 -10 12 6  o 161.338 19.466 71.361    16.497  93.707    20.429  29.477    27.969  184.908 20.979 109.209 38.456 75.69908       43.80610 
1 1 1 -10 12 8  o 315.875 16.419 269.880   27.710  327.185   48.817  242.638   33.659  345.534 26.555 298.558 21.165 46.97668       33.95769 
1 1 1 -10 12 10 o 304.213 14.196 249.354   23.154  241.306   32.999  257.159   32.495  297.692 20.807 307.578 19.811 -9.885895      28.72955 
1 1 1 -10 12 12 o 363.017 14.472 355.350   28.167  386.004   40.095  325.482   39.577  376.855 19.915 345.570 21.468 31.28497       29.28311 
1 1 1 -10 12 14 o 653.883 19.041 1159.37   66.753  1148.93   81.858  1180.10   115.329 648.985 23.526 651.466 33.129 -2.481018      40.63286 
1 1 1 -10 12 16 o 272.471 15.913 201.499   23.145  209.111   27.169  181.359   44.193  277.022 18.398 253.152 33.375 23.86983       38.10998 
1 1 1 -10 12 18 o 141.059 30.781 57.417    22.624  50.131    32.947  63.917    31.121  131.971 41.649 147.190 38.863 -15.21855      56.96487 
1 1 1 -10 12 20 o 223.592 19.359 137.396   22.977  138.457   28.001  135.210   40.204  223.088 23.778 215.551 36.064 7.537231       43.19673 
1 1 1 -10 12 22 o 320.114 18.168 280.611   31.053  294.539   37.980  252.528   53.930  326.484 21.824 295.536 34.697 30.94748       40.99004 
1 1 1 -10 12 24 o 354.529 15.495 342.312   29.452  350.169   34.209  319.804   57.899  357.661 17.840 332.356 32.927 25.30505       37.44935 
1 1 1 -10 12 26 o 292.524 17.775 236.137   27.744  231.053   31.237  255.131   60.378  288.071 20.357 288.328 40.148 -0.2577209     45.01406 
1 1 1 -10 12 28 o 341.247 18.680 324.430   34.046  304.913   39.825  377.419   65.621  327.780 22.804 351.914 35.255 -24.13437      41.98728 
1 1 1 -10 12 30 o 78.032  36.119 -15.7270  35.746  -15.7270  35.746  0.0000    0.0000  78.032  36.119 ?       ?      0.000000       36.11900 
1 1 1 -10 12 32 o 257.779 32.343 205.993   43.716  205.993   43.716  0.0000    0.0000  257.779 32.343 ?       ?      0.000000       32.34333 
1 1 1 -10 12 34 o 135.358 31.547 58.845    22.470  48.513    24.255  121.422   59.690  120.405 35.292 164.970 56.274 -44.56503      66.42528 
1 1 1 -10 12 36 o 38.578  19.143 -32.3979  15.115  -34.6397  15.499  11.166    68.324  38.516  19.158 101.925 48.065 -63.40917      51.74226 
1 1 1 -10 12 38 o 76.950  31.936 15.098    21.649  15.098    21.649  0.0000    0.0000  76.950  31.936 ?       ?      0.000000       31.93578 
1 1 1 -10 13 1  o 653.679 16.030 1154.06   56.178  1243.28   79.783  1066.33   79.116  676.242 22.006 625.623 23.587 50.61859       32.25867 
1 1 1 -10 13 3  o 588.692 22.285 942.198   70.335  923.024   100.091 960.904   98.859  577.324 32.469 589.701 31.382 -12.37738      45.15605 
1 1 1 -10 13 5  o 638.000 16.014 1099.14   54.775  1151.51   77.651  1047.27   77.278  650.822 22.254 620.275 23.238 30.54724       32.17565 
1 1 1 -10 13 7  o 677.051 18.829 1241.54   68.347  1425.12   119.497 1152.29   83.321  719.104 30.995 650.227 23.901 68.87732       39.14047 
1 1 1 -10 13 9  o 644.249 16.185 1121.54   55.903  1152.54   79.315  1090.93   78.805  650.580 22.740 632.738 23.231 17.84186       32.50773 
1 1 1 -10 13 11 o 405.614 14.494 444.064   31.518  453.653   44.846  434.704   44.306  408.064 20.565 399.367 20.764 8.697540       29.22435 
1 1 1 -10 13 13 o 305.625 20.576 255.269   33.519  235.183   48.328  273.888   46.529  289.531 31.649 314.166 27.915 -24.63480      42.20081 
1 1 1 -10 13 15 o 299.198 17.313 243.598   27.653  259.091   34.062  213.643   47.362  307.608 20.776 274.832 32.791 32.77542       38.81828 
1 1 1 -10 13 17 o 260.448 21.540 186.758   29.807  182.430   41.365  191.433   42.989  253.871 31.038 259.942 31.489 -6.070755      44.21453 
1 1 1 -10 13 19 o 123.203 23.718 43.137    15.098  46.290    17.545  34.140    29.638  126.976 26.624 112.980 39.600 13.99673       47.71795 
1 1 1 -10 13 21 o 221.591 17.667 134.800   20.814  151.148   24.041  85.869    41.593  234.198 19.320 166.352 45.379 67.84607       49.32001 
1 1 1 -10 13 23 o 219.445 17.665 132.661   20.608  128.056   23.667  147.096   41.904  214.452 20.848 222.167 36.444 -7.714966      41.98636 
1 1 1 -10 13 25 o 151.515 23.985 65.900    18.834  58.436    20.478  106.871   47.978  140.844 28.105 178.777 48.725 -37.93224      56.24902 
1 1 1 -10 13 27 o 250.782 28.705 184.754   37.899  173.659   49.307  200.773   59.247  233.162 40.937 245.268 46.763 -12.10590      62.15008 
1 1 1 -10 13 29 o 149.966 25.430 66.265    19.716  57.281    21.444  115.356   50.130  136.875 30.046 178.423 50.260 -41.54810      58.55600 
1 1 1 -10 13 31 o 213.491 22.757 131.691   25.647  131.691   25.647  0.0000    0.0000  213.491 22.757 ?       ?      0.000000       22.75749 
1 1 1 -10 13 33 o 98.505  31.861 30.531    19.191  23.721    20.062  103.837   65.820  89.853  32.465 151.128 57.959 -61.27461      66.43156 
1 1 1 -10 13 35 o 90.677  33.381 25.581    21.354  24.104    22.707  36.880    62.784  89.526  34.111 110.296 49.828 -20.77000      60.38540 
1 1 1 -10 13 37 o 135.547 57.809 127.186   74.061  127.186   74.061  0.0000    0.0000  135.547 57.809 ?       ?      0.000000       57.80886 
1 1 1 -10 14 2  o 199.913 22.900 110.402   24.101  110.402   24.101  0.0000    0.0000  199.913 22.900 ?       ?      0.000000       22.90001 
1 1 1 -10 14 4  o 277.711 20.884 210.936   30.867  237.384   44.393  186.182   42.947  292.228 28.706 257.412 31.796 34.81644       42.83656 
1 1 1 -10 14 6  o 194.911 22.971 105.029   23.543  134.829   33.351  75.429    33.239  219.371 29.074 160.566 38.999 58.80518       48.64391 
1 1 1 -10 14 8  o 560.985 17.918 853.180   53.890  898.302   66.081  763.582   93.118  574.230 21.464 522.569 33.412 51.66095       39.71207 
1 1 1 -10 14 10 o 416.258 17.057 469.486   38.066  492.429   46.657  423.815   65.828  425.312 20.462 389.231 31.824 36.08139       37.83409 
1 1 1 -10 14 12 o 418.859 14.618 474.273   32.827  524.275   46.861  426.091   46.000  438.815 19.918 394.417 21.839 44.39865       29.55799 
1 1 1 -10 14 14 f 482.237 17.466 631.508   45.157  695.016   78.884  600.553   55.074  499.155 29.609 468.540 21.924 30.61514       36.84286 
1 1 1 -10 14 16 o 272.793 17.729 203.237   25.788  241.706   44.639  183.968   31.593  293.408 28.747 257.808 23.102 35.59985       36.87928 
1 1 1 -10 14 18 o 295.602 22.324 241.664   35.119  241.664   35.119  0.0000    0.0000  295.602 22.324 ?       ?      0.000000       22.32442 
1 1 1 -10 14 20 o 163.181 23.340 75.091    19.837  75.091    19.837  0.0000    0.0000  163.181 23.340 ?       ?      0.000000       23.33959 
1 1 1 -10 14 22 o 225.525 17.403 140.173   20.879  136.059   23.979  153.070   42.457  221.027 20.468 226.189 36.235 -5.162949      41.61566 
1 1 1 -10 14 24 o 220.296 23.361 137.652   27.170  150.844   34.899  117.353   43.292  227.291 29.323 191.162 43.252 36.12929       52.25454 
1 1 1 -10 14 26 o 246.083 22.709 171.983   29.622  173.485   37.815  169.597   47.656  242.505 29.706 231.861 39.769 10.64398       49.63935 
1 1 1 -10 14 28 o 108.200 30.234 35.681    18.217  31.665    21.313  46.570    35.097  102.581 33.601 121.328 43.040 -18.74723      54.60280 
1 1 1 -10 14 30 o 97.564  33.612 28.381    21.309  28.381    21.309  0.0000    0.0000  97.564  33.612 ?       ?      0.000000       33.61231 
1 1 1 -10 14 32 o 108.297 33.955 37.851    21.935  26.082    25.017  76.989    45.619  95.028  35.901 141.250 49.151 -46.22163      60.86612 
1 1 1 -10 14 34 o 93.081  36.407 25.836    26.358  25.836    26.358  0.0000    0.0000  93.081  36.407 ?       ?      0.000000       36.40738 
1 1 1 -10 15 1  o 421.441 14.395 480.030   32.525  512.823   46.300  448.082   45.700  433.991 19.899 404.753 21.133 29.23724       29.02722 
1 1 1 -10 15 3  o 365.138 20.565 364.373   40.095  403.379   58.831  330.540   54.791  380.717 29.042 344.002 30.009 36.71432       41.76066 
1 1 1 -10 15 5  o 353.505 14.329 337.665   27.157  335.980   38.690  339.302   38.128  350.544 20.678 352.415 20.265 -1.870392      28.95302 
1 1 1 -10 15 7  o 394.712 16.754 422.273   35.455  450.249   61.379  408.264   43.434  402.447 28.634 386.345 21.049 16.10156       35.53795 
1 1 1 -10 15 9  f 435.253 16.816 513.707   39.240  543.853   48.323  455.345   67.236  446.721 20.176 403.048 31.362 43.67212       37.29172 
1 1 1 -10 15 11 o 263.848 15.635 189.223   22.019  201.455   31.312  177.259   30.969  270.563 21.770 253.285 23.058 17.27826       31.71152 
1 1 1 -10 15 13 o 335.573 17.464 306.941   31.310  274.435   54.407  323.037   38.285  310.614 33.184 343.067 20.915 -32.45242      39.22575 
1 1 1 -10 15 15 o 327.156 17.793 292.392   31.091  310.274   38.053  256.483   53.925  335.719 21.251 298.849 34.276 36.87003       40.32984 
1 1 1 -10 15 17 o 310.092 15.275 261.268   25.394  314.547   36.348  210.469   35.492  338.015 20.149 274.527 24.368 63.48776       31.61932 
1 1 1 -10 15 19 o 148.765 33.782 66.099    26.329  66.099    26.329  0.0000    0.0000  148.765 33.782 ?       ?      0.000000       33.78223 
1 1 1 -10 15 21 o 145.442 32.747 63.504    24.920  76.441    35.674  51.174    34.826  155.662 41.844 129.350 42.981 26.31160       59.98558 
1 1 1 -10 15 23 o 224.695 21.366 141.852   25.429  156.483   31.205  112.934   43.872  234.021 25.273 186.686 44.468 47.33525       51.14822 
1 1 1 -10 15 25 o 231.141 19.527 149.332   23.972  142.129   27.934  169.454   46.692  223.337 23.691 233.570 38.637 -10.23305      45.32246 
1 1 1 -10 15 27 o 125.537 29.281 47.642    19.346  34.646    22.831  80.730    36.430  106.931 34.765 156.329 42.395 -49.39796      54.82671 
1 1 1 -10 15 29 o 175.495 25.109 90.285    22.951  88.678    26.508  95.097    45.873  170.908 30.025 162.139 48.788 8.769135       57.28686 
1 1 1 -10 15 31 o 72.045  31.262 3.1227    22.382  27.849    26.069  -66.2357  43.660  97.456  36.686 68.657  33.781 28.79956       49.86990 
1 1 1 -10 15 33 o 145.875 32.491 69.965    24.759  72.067    28.393  63.293    50.581  144.387 36.623 124.210 49.834 20.17744       61.84360 
1 1 1 -10 16 2  o 143.563 37.993 60.968    29.698  0.0000    0.0000  60.968    29.698  ?       ?      143.563 37.993 0.000000       37.99271 
1 1 1 -10 16 4  o 226.805 17.056 140.459   20.588  179.923   37.080  122.870   24.755  253.360 27.752 210.661 22.255 42.69949       35.57335 
1 1 1 -10 16 6  o 137.888 26.809 54.277    19.105  48.527    27.607  59.561    26.466  128.871 37.618 142.467 34.920 -13.59569      51.32778 
1 1 1 -10 16 8  o 294.175 16.969 235.861   26.649  220.601   47.001  243.090   32.351  278.679 32.041 297.588 20.400 -18.90833      37.98441 
1 1 1 -10 16 10 o 329.430 17.106 295.880   30.108  216.713   52.147  335.466   36.875  273.566 36.463 349.877 19.739 -76.31146      41.46259 
1 1 1 -10 16 12 o 639.419 23.104 1127.26   79.202  0.0000    0.0000  1127.26   79.202  ?       ?      639.419 23.104 0.000000       23.10359 
1 1 1 -10 16 14 o 421.966 21.887 491.958   49.344  514.107   69.873  469.922   69.693  425.242 30.858 405.345 32.339 19.89706       44.69911 
1 1 1 -10 16 16 o 327.421 17.935 294.217   31.363  296.329   58.752  293.375   37.090  318.586 34.973 325.371 21.381 -6.785614      40.99084 
1 1 1 -10 16 18 o 349.423 15.081 332.633   28.251  412.740   41.288  262.105   38.741  386.417 19.998 305.723 23.824 80.69452       31.10453 
1 1 1 -10 16 20 o 166.546 21.344 78.091    18.620  81.423    21.819  69.159    35.720  168.740 24.864 147.968 42.674 20.77161       49.38891 
1 1 1 -10 16 22 f 212.484 22.297 127.207   25.022  131.488   29.961  117.338   45.493  213.882 26.711 190.602 45.203 23.28087       52.50532 
1 1 1 -10 16 24 o 223.037 20.154 139.261   23.840  142.644   27.743  129.711   46.610  224.118 23.436 199.820 44.634 24.29755       50.41272 
1 1 1 -10 16 26 o 194.870 32.258 114.729   32.523  114.729   32.523  0.0000    0.0000  194.870 32.258 ?       ?      0.000000       32.25803 
1 1 1 -10 16 28 o 157.675 30.212 75.807    24.610  70.516    30.460  85.755    41.767  146.834 38.294 155.913 46.472 -9.078827      60.21698 
1 1 1 -10 16 30 o 279.540 19.800 222.581   29.483  219.648   34.643  230.286   56.148  274.156 23.806 260.573 41.590 13.58243       47.92123 
1 1 1 -10 17 1  o 403.323 16.972 443.097   36.699  540.329   66.002  399.584   44.153  438.496 28.225 380.513 21.733 57.98340       35.62304 
1 1 1 -10 17 3  o 204.548 16.109 114.430   17.523  143.178   25.959  90.365    23.750  227.283 21.561 178.843 25.491 48.43988       33.38664 
1 1 1 -10 17 5  o 170.173 21.150 80.653    18.880  79.535    24.010  82.464    30.558  166.781 27.833 167.085 35.223 -0.3041077     44.89289 
1 1 1 -10 17 7  o 374.036 14.634 379.515   29.347  442.375   42.219  320.747   40.822  401.950 19.591 340.454 22.491 61.49561       29.82749 
1 1 1 -10 17 9  o 282.085 17.389 217.800   26.170  265.057   47.092  196.684   31.479  305.914 29.062 266.247 22.257 39.66641       36.60536 
1 1 1 -10 17 11 o 173.863 19.985 83.983    18.290  86.223    31.786  82.874    22.363  170.127 35.974 170.996 25.145 -0.8688507     43.89048 
1 1 1 -10 17 13 o 314.801 15.308 269.599   25.835  282.697   37.459  257.715   35.680  319.182 22.025 304.708 21.989 14.47391       31.12194 
1 1 1 -10 17 15 o 265.698 18.959 194.686   26.830  177.561   33.191  226.977   45.577  251.107 24.986 280.897 30.767 -29.78935      39.63467 
1 1 1 -10 17 17 o 206.670 22.278 119.678   24.295  148.380   30.208  67.115    40.880  229.145 24.994 146.290 46.417 82.85489       52.71822 
1 1 1 -10 17 19 o 170.498 19.814 81.161    17.774  90.516    26.443  73.450    24.007  176.484 28.951 158.459 29.339 18.02548       41.21783 
1 1 1 -10 17 21 o 200.010 22.906 113.012   24.119  125.989   29.318  85.836    42.427  209.470 26.714 162.386 46.411 47.08418       53.55049 
1 1 1 -10 17 23 o 162.488 27.355 77.176    22.984  82.713    27.104  63.005    43.361  166.201 31.573 139.425 47.953 26.77553       57.41339 
1 1 1 -10 17 25 o 89.894  34.713 19.256    23.725  19.256    23.725  0.0000    0.0000  89.894  34.713 ?       ?      0.000000       34.71252 
1 1 1 -10 17 27 o 122.210 33.216 47.103    22.333  66.480    25.564  -15.3306  45.888  145.355 33.493 88.307  40.892 57.04786       52.85804 
1 1 1 -10 17 29 o 159.880 30.743 79.931    25.395  91.801    30.471  52.935    45.953  168.255 34.922 122.608 48.040 45.64687       59.39167 
1 1 1 -10 18 2  o 323.401 17.271 286.027   29.837  383.513   38.217  133.858   47.748  373.797 19.134 208.882 44.025 164.9161       48.00306 
1 1 1 -10 18 4  o 349.214 17.700 333.674   33.030  364.276   41.646  281.786   54.230  363.199 21.483 313.184 32.783 50.01505       39.19544 
1 1 1 -10 18 6  o 371.988 14.831 375.699   29.577  408.644   42.692  345.289   41.016  385.107 20.754 353.436 21.751 31.67136       30.06401 
1 1 1 -10 18 8  o 312.351 17.447 267.010   29.100  291.432   51.957  255.847   35.127  319.740 30.686 304.038 21.692 15.70145       37.57923 
1 1 1 -10 18 10 o 409.846 21.813 464.324   47.759  464.324   47.759  0.0000    0.0000  409.846 21.813 ?       ?      0.000000       21.81349 
1 1 1 -10 18 12 o 257.225 16.334 180.966   22.409  202.923   32.667  161.449   30.798  269.986 22.781 240.011 24.268 29.97548       33.28527 
1 1 1 -10 18 14 o 285.969 22.781 227.813   34.637  227.813   34.637  0.0000    0.0000  285.969 22.781 ?       ?      0.000000       22.78078 
1 1 1 -10 18 16 o 197.542 22.355 109.391   23.259  120.124   29.930  93.027    36.956  204.702 28.007 173.897 40.409 30.80498       49.16579 
1 1 1 -10 18 18 o 146.895 33.697 64.821    25.973  100.841   35.978  25.615    37.535  181.772 38.135 108.467 43.126 73.30509       57.56838 
1 1 1 -10 18 20 o 245.112 21.719 168.420   28.246  176.504   35.907  155.296   45.749  247.810 27.490 224.662 39.420 23.14790       48.05891 
1 1 1 -10 18 22 o 174.540 24.013 87.358    21.875  75.845    25.829  116.565   41.141  158.875 31.437 191.258 41.328 -32.38304      51.92577 
1 1 1 -10 18 24 o 140.914 28.182 59.387    20.547  75.729    23.794  11.468    40.745  159.154 28.953 98.219  42.399 60.93503       51.34095 
1 1 1 -10 18 26 o 179.770 24.608 94.634    23.094  92.182    26.769  101.772   45.672  174.166 29.735 167.508 48.238 6.657364       56.66646 
1 1 1 -10 19 1  f 323.876 18.260 287.579   31.577  294.686   39.718  275.369   52.060  325.830 22.882 310.073 31.765 15.75681       39.14788 
1 1 1 -10 19 3  o 340.356 15.675 314.978   28.602  344.978   42.410  289.948   38.738  352.899 22.533 323.442 22.479 29.45697       31.82864 
1 1 1 -10 19 5  f 325.111 17.939 289.468   31.146  374.699   61.267  259.763   36.169  362.162 31.879 306.205 22.182 55.95651       38.83684 
1 1 1 -10 19 7  o 292.930 22.804 238.346   35.531  189.926   53.725  275.989   47.370  251.548 41.269 312.316 28.609 -60.76820      50.21510 
1 1 1 -10 19 9  o 189.436 19.235 99.278    19.264  122.548   32.627  86.824    23.869  206.313 30.409 174.671 26.304 31.64157       40.20730 
1 1 1 -10 19 11 o 145.497 25.822 60.651    19.405  30.497    26.424  95.944    28.588  106.275 37.384 181.976 30.373 -75.70065      48.16682 
1 1 1 -10 19 13 o 159.319 27.805 73.260    22.886  50.405    29.650  106.948   35.998  129.351 39.292 188.891 36.869 -59.53993      53.88118 
1 1 1 -10 19 15 o 187.939 20.085 98.391    19.924  130.660   31.135  76.011    25.928  213.482 27.868 160.642 31.230 52.84036       41.85588 
1 1 1 -10 19 17 o 240.478 19.390 160.476   24.786  231.661   45.715  130.837   29.499  282.550 30.671 213.934 26.271 68.61563       40.38379 
1 1 1 -10 19 19 o 209.287 23.948 124.565   26.387  155.840   32.668  65.864    44.757  232.842 26.649 142.548 48.729 90.29428       55.53973 
1 1 1 -10 19 21 o 167.350 36.923 87.566    32.240  87.566    32.240  0.0000    0.0000  167.350 36.923 ?       ?      0.000000       36.92342 
1 1 1 -10 20 2  o 172.609 25.852 84.862    23.188  57.767    51.337  91.807    25.990  140.985 51.780 178.787 28.037 -37.80240      58.88269 
1 1 1 -10 20 4  o 73.244  30.258 5.9257    19.306  0.0000    0.0000  5.9257    19.306  ?       ?      73.244  30.258 0.000000       30.25804 
1 1 1 -10 20 6  o 209.809 24.512 123.987   27.052  132.029   35.116  112.247   42.428  213.328 31.665 190.825 42.555 22.50281       53.04311 
1 1 1 -10 20 8  o 203.097 19.169 114.157   20.626  114.831   36.088  113.829   25.136  196.652 35.537 201.143 23.768 -4.490479      42.75300 
1 1 1 -10 20 10 o 275.147 19.505 209.143   28.587  259.892   38.632  147.725   42.499  304.719 23.837 222.510 36.920 82.20857       43.94618 
1 1 1 -10 20 12 o 204.109 18.760 115.378   20.299  156.350   33.868  92.408    25.359  233.892 27.536 179.258 27.244 54.63420       38.73599 
1 1 1 -10 20 14 o 132.639 31.981 52.690    22.477  42.047    31.126  64.289    32.493  119.416 40.637 143.585 40.470 -24.16882      57.35197 
1 1 1 -10 20 16 o 315.925 16.749 274.577   28.267  299.131   43.394  256.478   37.255  324.720 25.121 301.786 23.204 22.93362       34.19796 
1 1 1 -10 21 1  o 199.589 30.962 116.467   32.058  188.069   52.294  73.357    40.577  247.869 40.769 151.648 45.943 96.22067       61.42372 
1 1 1 -10 21 3  o 277.866 25.923 218.731   38.172  349.099   65.396  151.357   47.012  343.556 36.041 221.928 41.023 121.6273       54.60629 
1 1 1 -10 21 5  o 278.057 20.285 214.517   30.031  329.464   71.667  190.034   33.075  328.789 41.586 259.863 24.012 68.92621       48.02074 
1 1 1 -10 21 7  o 197.334 28.912 112.717   29.681  237.186   68.010  83.433    32.989  272.566 48.309 164.963 38.073 107.6031       61.50843 
1 1 1 -9  0  1  f 545.073 21.057 802.274   61.326  802.274   61.326  802.274   61.326  545.073 21.057 545.073 21.057 0.000000       0.000000 
1 1 1 -9  0  3  o 108.140 32.695 39.017    16.535  39.017    16.535  39.017    16.535  108.140 32.695 108.140 32.695 0.000000       0.000000 
1 1 1 -9  0  5  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -9  0  7  o 363.170 19.360 357.382   37.451  357.382   37.451  357.382   37.451  363.170 19.360 363.170 19.360 0.000000       0.000000 
1 1 1 -9  0  9  o 538.673 20.908 783.241   60.176  783.241   60.176  783.241   60.176  538.673 20.908 538.673 20.908 0.000000       0.000000 
1 1 1 -9  0  11 o 385.481 19.722 402.185   40.516  402.185   40.516  402.185   40.516  385.481 19.722 385.481 19.722 0.000000       0.000000 
1 1 1 -9  0  13 o 200.025 31.252 115.200   31.076  115.200   31.076  115.200   31.076  200.025 31.252 200.025 31.252 0.000000       0.000000 
1 1 1 -9  0  15 o 446.144 20.472 537.852   48.733  537.852   48.733  537.852   48.733  446.144 20.472 446.144 20.472 0.000000       0.000000 
1 1 1 -9  0  17 o 656.906 23.126 1163.74   81.218  1163.74   81.218  1163.74   81.218  656.906 23.126 656.906 23.126 0.000000       0.000000 
1 1 1 -9  0  19 o 155.300 27.483 70.614    20.745  70.614    20.745  70.614    20.745  155.300 27.483 155.300 27.483 0.000000       0.000000 
1 1 1 -9  0  21 o 172.182 27.230 85.499    23.255  85.499    23.255  85.499    23.255  172.182 27.230 172.182 27.230 0.000000       0.000000 
1 1 1 -9  0  23 o 527.067 30.765 756.815   86.257  756.815   86.257  756.815   86.257  527.067 30.765 527.067 30.765 0.000000       0.000000 
1 1 1 -9  0  25 o 469.128 22.100 596.087   55.304  596.087   55.304  596.087   55.304  469.128 22.100 469.128 22.100 0.000000       0.000000 
1 1 1 -9  0  27 o 79.012  41.165 24.804    22.743  24.804    22.743  24.804    22.743  79.012  41.165 79.012  41.165 0.000000       0.000000 
1 1 1 -9  0  29 o 92.127  51.592 32.570    38.277  32.570    38.277  32.570    38.277  92.127  51.592 92.127  51.592 0.000000       0.000000 
1 1 1 -9  0  31 o 56.365  36.494 0.0000    26.025  0.0000    26.025  0.0000    26.025  56.365  36.494 56.365  36.494 0.000000       0.000000 
1 1 1 -9  0  33 o 112.003 50.363 51.314    32.351  51.314    32.351  51.314    32.351  112.003 50.363 112.003 50.363 0.000000       0.000000 
1 1 1 -9  0  35 o 253.505 25.856 181.218   34.304  181.218   34.304  181.218   34.304  253.505 25.856 253.505 25.856 0.000000       0.000000 
1 1 1 -9  0  37 o 58.822  39.140 -6.0569   33.184  -6.0569   33.184  -6.0569   33.184  58.822  39.140 58.822  39.140 0.000000       0.000000 
1 1 1 -9  0  39 o 43.258  30.491 -29.2264  28.036  -29.2264  28.036  -29.2264  28.036  43.258  30.491 43.258  30.491 0.000000       0.000000 
1 1 1 -9  0  41 o 114.426 51.232 57.040    33.482  57.040    33.482  57.040    33.482  114.426 51.232 114.426 51.232 0.000000       0.000000 
1 1 1 -9  0  43 o 269.331 32.397 215.262   44.988  215.262   44.988  215.262   44.988  269.331 32.397 269.331 32.397 0.000000       0.000000 
1 1 1 -9  0  45 o 98.602  54.176 48.790    41.303  48.790    41.303  48.790    41.303  98.602  54.176 98.602  54.176 0.000000       0.000000 
1 1 1 -9  1  2  o 1318.54 28.104 4706.31   198.667 4608.70   243.344 4901.40   344.026 1301.38 34.878 1333.09 48.135 -31.71558      59.44261 
1 1 1 -9  1  4  o 182.435 14.993 90.072    14.534  93.760    17.710  82.464    25.436  185.779 18.007 172.292 28.535 13.48622       33.74203 
1 1 1 -9  1  6  o 1198.82 45.872 3950.31   294.831 3950.31   294.831 0.0000    0.0000  1198.82 45.872 ?       ?      0.000000       45.87204 
1 1 1 -9  1  8  o 1117.35 20.716 3362.89   124.100 3380.22   175.497 3345.54   175.512 1117.55 29.291 1111.74 29.446 5.804199       41.53354 
1 1 1 -9  1  10 f 1216.37 26.280 3993.03   171.384 3874.33   296.813 4052.40   209.913 1189.65 46.536 1223.40 32.004 -33.74585      56.47883 
1 1 1 -9  1  12 o 204.249 19.576 113.237   21.174  122.760   30.142  103.959   29.750  211.589 27.201 194.012 29.534 17.57611       40.15155 
1 1 1 -9  1  14 o 827.709 17.845 1841.50   79.188  1816.46   111.857 1866.65   112.120 820.925 25.415 832.240 25.128 -11.31458      35.74011 
1 1 1 -9  1  16 o 157.968 15.828 67.709    13.225  69.378    18.235  65.857    19.208  159.052 21.971 154.559 23.955 4.493530       32.50507 
1 1 1 -9  1  18 o 394.587 20.482 420.272   43.181  440.046   60.914  400.298   61.221  402.532 28.408 383.533 30.013 18.99918       41.32526 
1 1 1 -9  1  20 o 687.545 16.692 1271.51   61.530  1281.27   87.044  1261.77   86.990  689.017 23.563 683.721 23.731 5.296692       33.44238 
1 1 1 -9  1  22 o 353.549 14.885 336.158   28.214  318.050   39.854  354.353   39.948  342.582 21.812 361.869 20.677 -19.28720      30.05499 
1 1 1 -9  1  24 o 389.966 20.826 411.902   43.384  409.345   61.874  414.374   60.848  386.600 30.089 389.172 29.379 -2.572571      42.05354 
1 1 1 -9  1  26 o 658.427 16.517 1169.52   58.306  1251.36   82.633  1088.36   82.284  679.178 22.693 632.867 24.251 46.31073       33.21298 
1 1 1 -9  1  28 o 139.808 36.841 56.892    28.002  34.058    39.694  79.515    39.510  120.927 45.318 163.766 44.042 -42.83926      63.19374 
1 1 1 -9  1  30 o 135.980 24.644 52.645    17.305  64.454    25.350  42.340    23.680  148.146 32.784 120.153 34.773 27.99264       47.79078 
1 1 1 -9  1  32 o 249.442 17.151 171.331   22.797  185.715   32.776  157.851   31.729  256.531 24.114 235.637 25.524 20.89374       35.11330 
1 1 1 -9  1  34 o 70.897  29.120 7.1141    17.750  5.1506    28.734  8.3257    22.571  83.076  35.734 78.359  32.572 4.717453       48.35099 
1 1 1 -9  1  36 o 101.585 32.637 32.085    20.163  0.7268    32.711  51.298    25.606  82.595  36.740 125.219 36.136 -42.62471      51.53276 
1 1 1 -9  1  38 o 72.140  33.462 -10.0126  30.915  -3.8580   43.461  -16.3165  43.984  85.650  39.709 81.278  38.401 4.371338       55.23956 
1 1 1 -9  1  40 o 54.359  25.702 -13.9860  19.773  17.561    28.544  -43.0919  27.417  83.287  35.714 53.494  26.406 29.79350       44.41569 
1 1 1 -9  1  42 o 93.386  41.323 33.350    40.856  0.0000    0.0000  33.350    40.856  ?       ?      93.386  41.323 0.000000       41.32264 
1 1 1 -9  1  44 o 179.047 32.571 121.777   30.114  117.277   43.172  126.041   42.026  141.056 47.860 151.811 46.902 -10.75529      67.00968 
1 1 1 -9  1  46 o 93.482  44.046 100.457   57.156  27.994    81.371  171.029   80.302  75.666  38.413 96.137  46.993 -20.47036      60.69547 
1 1 1 -9  2  1  o 513.225 20.631 709.467   56.768  807.397   80.277  611.516   80.286  545.812 27.522 473.903 31.783 71.90878       42.04339 
1 1 1 -9  2  3  o 315.844 15.100 268.123   25.570  268.123   25.570  0.0000    0.0000  315.844 15.100 ?       ?      0.000000       15.10010 
1 1 1 -9  2  5  f 391.977 13.481 412.728   28.331  426.900   32.765  370.736   56.401  398.529 15.335 369.064 28.731 29.46414       32.56703 
1 1 1 -9  2  7  o 533.279 20.897 765.940   59.746  768.594   84.426  763.276   84.560  532.123 29.712 530.238 29.867 1.884521       42.12901 
1 1 1 -9  2  9  o 1133.54 25.024 3465.19   152.074 3422.44   186.175 3550.92   263.620 1124.76 30.874 1140.75 43.104 -15.99524      53.02004 
1 1 1 -9  2  11 o 139.519 17.035 53.090    12.478  64.060    21.266  47.331    15.409  151.841 27.118 130.698 22.821 21.14339       35.44281 
1 1 1 -9  2  13 o 426.843 16.200 489.479   37.074  496.652   45.421  475.162   64.170  429.732 19.715 418.595 28.768 11.13623       34.87519 
1 1 1 -9  2  15 o 296.873 13.705 236.635   21.813  233.652   30.715  239.671   30.983  294.103 19.592 297.894 19.507 -3.790802      27.64732 
1 1 1 -9  2  17 o 394.782 16.505 418.873   34.934  437.494   42.580  380.531   61.101  403.240 19.696 373.854 30.757 29.38510       36.52306 
1 1 1 -9  2  19 o 440.126 14.671 520.545   34.619  518.903   48.765  522.214   49.155  438.897 20.724 440.285 20.824 -1.387878      29.37911 
1 1 1 -9  2  21 f 558.964 15.549 840.305   46.597  815.463   65.852  865.217   65.946  549.679 22.345 566.306 21.720 -16.62634      31.16227 
1 1 1 -9  2  23 o 803.493 25.289 1748.47   108.938 1728.87   154.204 1768.01   153.919 794.737 36.191 803.902 35.712 -9.164673      50.84448 
1 1 1 -9  2  25 o 900.387 19.051 2189.30   91.962  2021.66   130.011 2357.15   130.097 861.490 28.149 931.289 26.056 -69.79907      38.35722 
1 1 1 -9  2  27 o 175.231 20.672 84.459    19.047  80.665    27.753  87.838    26.188  168.388 31.910 176.806 28.604 -8.417938      42.85368 
1 1 1 -9  2  29 o 154.891 26.615 68.100    21.305  48.179    26.275  106.335   36.401  128.305 36.473 190.487 36.977 -62.18237      51.93803 
1 1 1 -9  2  31 o 435.435 15.548 516.521   36.296  439.171   50.806  597.149   51.871  396.502 24.013 465.262 20.795 -68.75961      31.76591 
1 1 1 -9  2  33 o 100.102 34.039 28.754    21.838  11.738    30.506  46.637    31.275  90.495  37.762 122.876 40.726 -32.38153      55.53892 
1 1 1 -9  2  35 o 98.874  30.624 29.633    17.904  44.625    25.523  15.110    25.121  118.302 36.551 86.358  34.953 31.94454       50.57370 
1 1 1 -9  2  37 o 124.218 41.411 54.971    32.319  53.823    46.737  56.023    44.741  121.321 48.159 122.914 47.611 -1.592804      67.72060 
1 1 1 -9  2  39 o 88.954  32.787 25.740    20.610  23.979    29.504  27.419    28.801  90.119  37.332 92.660  37.453 -2.541206      52.88084 
1 1 1 -9  2  41 f 59.051  27.947 -13.8280  23.480  -25.5971  30.563  3.1204    36.677  62.247  30.094 78.831  36.523 -16.58364      47.32434 
1 1 1 -9  2  43 o 120.778 39.844 65.888    29.948  125.901   49.157  30.464    37.766  144.429 50.968 88.620  39.445 55.80947       64.44920 
1 1 1 -9  2  45 o 90.961  40.078 50.721    38.033  -13.3413  67.519  80.495    46.031  74.434  37.449 101.753 44.481 -27.31951      58.14629 
1 1 1 -9  3  2  o 877.455 26.055 2077.80   122.571 2077.80   122.571 0.0000    0.0000  877.455 26.055 ?       ?      0.000000       26.05507 
1 1 1 -9  3  4  o 209.415 15.121 118.439   16.863  126.236   20.716  103.128   29.031  215.903 18.063 193.255 28.907 22.64824       34.08660 
1 1 1 -9  3  6  f 514.808 14.282 711.854   39.420  766.782   45.612  549.746   78.358  534.172 15.927 449.365 32.750 84.80667       36.41755 
1 1 1 -9  3  8  o 460.549 15.641 569.839   38.619  639.770   47.490  433.296   66.359  487.803 18.159 399.090 31.264 88.71292       36.15512 
1 1 1 -9  3  10 o 242.480 19.792 159.185   25.505  159.235   35.307  159.130   36.884  241.364 27.792 241.056 29.130 0.3081207      40.26117 
1 1 1 -9  3  12 o 339.413 15.830 309.448   28.806  313.764   35.121  300.577   50.353  341.063 19.286 332.551 28.518 8.511597       34.42699 
1 1 1 -9  3  14 f 438.250 16.461 516.019   38.676  500.177   66.818  524.001   47.429  429.462 29.193 441.387 20.043 -11.92474      35.41135 
1 1 1 -9  3  16 o 840.599 20.903 1901.75   94.203  1929.43   115.309 1846.21   163.350 845.886 25.426 824.750 36.942 21.13611       44.84684 
1 1 1 -9  3  18 o 282.310 16.393 214.984   24.704  249.802   42.320  196.986   30.427  303.015 26.312 269.600 21.222 33.41498       33.80345 
1 1 1 -9  3  20 f 559.475 15.372 841.631   46.110  782.614   64.766  902.291   65.662  538.582 22.430 578.501 21.171 -39.91882      30.84315 
1 1 1 -9  3  22 o 618.022 18.430 1029.14   61.066  861.290   105.329 1114.13   74.947  560.549 35.227 642.387 21.761 -81.83795      41.40668 
1 1 1 -9  3  24 o 486.315 17.696 637.665   46.139  666.051   80.263  623.656   56.387  493.331 30.496 480.207 21.902 13.12433       37.54575 
1 1 1 -9  3  26 o 567.010 15.841 867.390   48.156  871.452   68.258  863.365   67.947  566.502 22.474 563.866 22.476 2.635315       31.78480 
1 1 1 -9  3  28 o 217.180 28.677 132.591   32.574  191.066   45.772  72.589    46.366  259.294 33.724 156.534 49.408 102.7599       59.82052 
1 1 1 -9  3  30 o 35.553  17.524 -25.2435  11.922  -35.8830  16.017  -12.0228  17.854  40.315  19.953 56.165  25.828 -15.85012      32.63752 
1 1 1 -9  3  32 f 289.907 22.512 235.791   34.715  224.948   49.589  246.212   48.614  275.289 34.346 290.099 31.777 -14.81024      46.79150 
1 1 1 -9  3  34 o 239.484 20.944 162.005   26.621  167.207   44.402  159.085   33.262  231.689 36.990 233.421 27.082 -1.730927      45.84423 
1 1 1 -9  3  36 f 87.592  33.236 20.517    21.501  50.279    41.884  9.8678    25.054  121.393 46.310 80.673  33.978 40.72009       57.43804 
1 1 1 -9  3  38 o 165.910 32.075 90.704    27.498  77.679    33.190  119.215   49.105  143.785 41.034 165.418 50.631 -21.63339      65.17120 
1 1 1 -9  3  40 o 99.878  35.645 36.724    24.107  51.940    36.005  24.362    32.454  110.479 42.734 89.704  38.263 20.77513       57.36097 
1 1 1 -9  3  42 o 81.455  35.328 18.561    28.558  -3.1572   38.628  44.741    42.410  75.941  35.912 99.463  43.095 -23.52157      56.09690 
1 1 1 -9  3  44 o 75.108  33.906 15.466    29.008  -2.9177   39.399  37.230    42.868  71.769  34.565 87.728  40.224 -15.95883      53.03464 
1 1 1 -9  3  46 o 89.621  40.418 65.549    41.104  47.200    72.582  74.212    49.873  77.056  38.776 87.725  41.276 -10.66943      56.63289 
1 1 1 -9  4  1  o 926.890 27.063 2317.45   134.486 2317.45   134.486 0.0000    0.0000  926.890 27.063 ?       ?      0.000000       27.06307 
1 1 1 -9  4  3  o 917.442 18.826 2263.23   92.602  2316.27   130.972 2210.20   130.944 926.773 26.359 905.174 26.983 21.59875       37.72107 
1 1 1 -9  4  5  o 1169.54 25.570 3687.29   160.330 3688.02   196.393 3685.85   277.617 1168.00 31.363 1162.71 44.535 5.296143       54.47017 
1 1 1 -9  4  7  o 764.589 23.245 1574.19   95.287  1828.02   135.145 1323.28   134.369 822.561 30.645 697.907 36.034 124.6540       47.30326 
1 1 1 -9  4  9  o 73.000  18.981 14.858    7.4981  21.586    8.9088  -1.4827   13.885  87.891  19.423 57.497  24.785 30.39383       31.48928 
1 1 1 -9  4  11 o 787.706 17.243 1667.23   72.821  1618.70   84.061  1813.18   145.777 775.815 20.210 818.846 33.206 -43.03015      38.87250 
1 1 1 -9  4  13 f 373.399 15.847 374.523   31.725  349.492   38.517  427.329   55.945  359.931 20.040 397.270 26.417 -37.33859      33.15800 
1 1 1 -9  4  15 o 408.771 20.103 449.548   44.057  462.186   61.758  436.452   62.868  412.835 28.069 400.887 29.457 11.94785       40.68917 
1 1 1 -9  4  17 o 129.560 21.281 46.383    14.269  49.216    24.335  44.898    17.615  132.224 34.104 126.586 26.790 5.637489       43.36857 
1 1 1 -9  4  19 o 273.627 14.580 201.800   21.312  193.967   29.769  210.036   30.525  267.468 20.926 278.437 20.595 -10.96930      29.36081 
1 1 1 -9  4  21 o 663.020 16.180 1182.85   57.514  1125.18   81.180  1240.98   81.496  645.317 23.464 677.943 22.422 -32.62598      32.45467 
1 1 1 -9  4  23 o 132.390 29.631 49.536    20.507  42.463    27.192  58.864    31.228  123.882 37.627 143.931 39.344 -20.04909      54.44009 
1 1 1 -9  4  25 o 303.844 15.975 249.623   25.932  219.792   36.400  280.367   36.953  283.435 24.185 320.966 21.600 -37.53125      32.42665 
1 1 1 -9  4  27 o 485.805 18.037 639.903   46.978  703.828   81.954  608.619   57.333  503.381 30.511 472.241 22.645 31.13980       37.99632 
1 1 1 -9  4  29 o 155.842 23.548 68.363    19.061  67.508    27.893  69.112    26.109  151.102 35.102 153.701 32.689 -2.599304      47.96600 
1 1 1 -9  4  31 o 95.389  32.383 25.120    19.766  48.807    25.251  -12.3560  31.762  127.072 35.627 77.655  35.227 49.41675       50.10218 
1 1 1 -9  4  33 o 110.444 36.997 36.606    25.795  -17.2155  33.716  112.569   40.056  76.479  35.287 187.623 40.969 -111.1441      54.07030 
1 1 1 -9  4  35 o 140.322 26.070 58.717    18.890  47.948    27.096  68.901    26.350  121.438 37.683 147.501 34.015 -26.06337      50.76504 
1 1 1 -9  4  37 o 118.378 32.552 46.278    21.303  57.327    32.264  37.739    28.365  125.313 41.356 105.947 38.553 19.36582       56.53914 
1 1 1 -9  4  39 o 133.062 32.378 60.991    22.879  31.036    35.233  82.832    30.085  96.616  40.472 150.054 37.501 -53.43808      55.17495 
1 1 1 -9  4  41 o 92.816  35.590 31.301    24.815  64.540    41.093  12.223    31.133  115.844 45.418 80.207  35.749 35.63737       57.79909 
1 1 1 -9  4  43 o 83.987  36.746 24.951    31.473  0.0000    0.0000  24.951    31.473  ?       ?      83.987  36.746 0.000000       36.74568 
1 1 1 -9  4  45 f 71.065  33.461 11.835    32.880  -8.4667   102.946 14.141    34.698  77.384  39.619 72.525  34.216 4.858780       52.34902 
1 1 1 -9  5  2  o 1027.83 23.417 2843.86   129.037 2936.24   158.038 2659.10   223.499 1043.39 28.252 989.239 42.141 54.15137       50.73463 
1 1 1 -9  5  4  o 1796.32 30.960 8713.68   298.162 9044.88   421.691 8382.56   421.639 1823.88 43.125 1754.84 44.816 69.03613       62.19509 
1 1 1 -9  5  6  o 984.161 19.649 2604.06   103.674 2654.62   146.574 2553.46   146.659 992.259 27.553 973.054 28.113 19.20483       39.36319 
1 1 1 -9  5  8  o 762.075 16.820 1560.18   68.722  1626.78   79.463  1362.59   136.875 777.932 19.053 708.526 36.153 69.40631       40.86615 
1 1 1 -9  5  10 o 1003.56 19.776 2707.95   106.405 2823.64   122.928 2362.29   212.489 1024.34 22.384 932.253 42.514 92.08789       48.04663 
1 1 1 -9  5  12 o 180.978 17.052 88.783    16.350  88.783    16.350  0.0000    0.0000  180.978 17.052 ?       ?      0.000000       17.05185 
1 1 1 -9  5  14 o 634.423 22.440 1083.85   76.328  1083.85   76.328  0.0000    0.0000  634.423 22.440 ?       ?      0.000000       22.44048 
1 1 1 -9  5  16 o 742.020 16.973 1480.36   67.520  1478.06   95.293  1482.69   95.685  740.340 24.008 741.487 24.070 -1.146667      33.99613 
1 1 1 -9  5  18 o 277.100 16.843 207.289   24.903  198.936   30.460  224.128   43.247  270.880 21.141 286.373 28.548 -15.49277      35.52417 
1 1 1 -9  5  20 o 490.013 14.950 645.660   39.276  614.041   55.231  678.009   55.864  477.063 21.594 501.416 20.781 -24.35303      29.96911 
1 1 1 -9  5  22 o 441.641 21.107 526.708   49.976  436.671   70.929  615.476   70.428  398.590 33.502 475.363 27.755 -76.77322      43.50555 
1 1 1 -9  5  24 o 121.580 23.898 41.471    15.022  22.002    21.596  59.720    20.909  95.434  33.772 145.721 27.777 -50.28665      43.72776 
1 1 1 -9  5  26 o 418.759 17.525 474.741   39.346  482.997   69.551  470.856   47.715  416.844 31.351 415.486 21.494 1.357849       38.01155 
1 1 1 -9  5  28 o 273.484 19.320 205.055   28.145  185.193   34.102  247.483   49.841  257.898 24.977 295.183 32.007 -37.28470      40.59894 
1 1 1 -9  5  30 o 351.060 18.723 338.982   35.112  322.323   43.031  372.168   60.734  339.672 23.779 359.526 31.838 -19.85406      39.73818 
1 1 1 -9  5  32 o 140.920 32.239 60.062    23.829  59.378    28.442  61.674    43.646  137.990 37.477 138.577 48.084 -0.5870209     60.96382 
1 1 1 -9  5  34 o 350.898 16.832 340.791   31.665  306.523   45.625  372.635   43.982  324.559 26.451 361.622 22.802 -37.06271      34.92233 
1 1 1 -9  5  36 o 168.668 30.654 89.122    26.699  29.391    47.077  117.444   32.417  107.169 45.907 192.408 32.588 -85.23886      56.29832 
1 1 1 -9  5  38 o 77.929  34.371 7.0101    28.042  -0.3348   34.733  20.762    47.526  79.372  36.324 96.770  43.568 -17.39845      56.72402 
1 1 1 -9  5  40 o 103.606 37.492 40.754    26.772  12.371    40.860  62.104    35.438  86.771  39.590 119.945 43.174 -33.17390      58.57793 
1 1 1 -9  5  42 o 105.995 37.576 46.894    26.748  39.736    45.275  50.732    33.152  95.960  42.915 105.594 40.961 -9.634750      59.32543 
1 1 1 -9  5  44 o 110.376 41.683 67.945    33.716  192.850   99.292  51.665    35.846  106.274 52.013 95.864  40.524 10.40974       65.93584 
1 1 1 -9  6  1  o 1969.05 37.919 10505.26  400.298 10274.44  490.198 10967.25  693.522 1941.70 47.089 1991.47 64.955 -49.76819      80.22813 
1 1 1 -9  6  3  o 1548.09 27.386 6460.13   227.302 6527.70   321.459 6392.56   321.448 1551.93 38.635 1535.60 39.045 16.32764       54.92870 
1 1 1 -9  6  5  o 1599.65 28.005 6899.34   240.178 6918.42   339.655 6880.25   339.672 1597.22 39.665 1592.75 39.778 4.465698       56.17432 
1 1 1 -9  6  7  o 1920.08 37.295 9986.09   383.915 10447.55  470.256 9063.84   664.796 1959.48 44.763 1807.11 68.617 152.3726       81.92730 
1 1 1 -9  6  9  o 1280.77 23.536 4416.19   161.611 4542.23   186.677 4039.12   322.888 1298.08 26.824 1215.96 49.529 82.12036       56.32608 
1 1 1 -9  6  11 o 475.678 29.426 613.219   74.676  613.219   74.676  0.0000    0.0000  475.678 29.426 ?       ?      0.000000       29.42618 
1 1 1 -9  6  13 o 337.243 13.976 305.432   25.269  317.991   28.977  265.568   51.627  344.025 15.711 311.813 31.305 32.21140       35.02598 
1 1 1 -9  6  15 o 426.176 14.320 487.920   32.720  499.097   37.748  454.143   65.620  430.890 16.340 408.578 30.170 22.31198       34.31062 
1 1 1 -9  6  17 o 326.620 14.307 286.671   25.053  255.111   34.356  322.513   36.613  306.980 21.001 345.486 19.850 -38.50641      28.89725 
1 1 1 -9  6  19 o 126.708 38.186 44.307    28.086  0.0000    0.0000  44.307    28.086  ?       ?      126.708 38.186 0.000000       38.18563 
1 1 1 -9  6  21 o 439.671 21.049 521.901   49.616  466.209   70.512  576.517   69.828  412.423 32.144 459.911 28.459 -47.48743      42.93177 
1 1 1 -9  6  23 o 655.455 16.368 1158.16   57.517  1129.25   81.381  1187.02   81.303  645.296 23.523 661.792 22.915 -16.49548      32.83920 
1 1 1 -9  6  25 f 374.321 17.609 379.184   35.339  429.962   60.429  352.794   43.564  394.536 28.767 359.248 22.736 35.28735       36.66660 
1 1 1 -9  6  27 o 230.319 25.621 148.039   31.101  142.802   42.856  153.867   45.206  221.413 37.437 229.732 38.034 -8.319122      53.36769 
1 1 1 -9  6  29 o 375.321 15.287 383.084   30.760  372.806   43.792  393.094   43.217  366.651 22.385 377.027 21.469 -10.37579      31.01598 
1 1 1 -9  6  31 o 132.286 26.753 51.176    18.322  27.262    24.913  79.346    27.039  100.540 36.198 163.051 32.073 -62.51126      48.36324 
1 1 1 -9  6  33 o 157.389 28.190 73.577    22.913  70.278    38.284  75.419    28.601  144.796 44.770 155.479 35.138 -10.68282      56.91301 
1 1 1 -9  6  35 o 137.957 34.323 61.487    25.283  63.157    41.648  60.513    31.816  132.206 46.886 132.736 40.776 -0.5297852     62.13669 
1 1 1 -9  6  37 o 103.251 36.689 36.383    25.514  46.370    32.387  20.046    41.423  112.585 41.161 95.605  41.984 16.98003       58.79505 
1 1 1 -9  6  39 o 103.476 40.551 40.279    32.749  50.034    52.935  34.230    41.683  109.303 47.743 99.961  43.018 9.342255       64.26427 
1 1 1 -9  6  41 o 65.792  30.679 -6.9089   26.531  -3.4376   43.059  -9.0332   33.685  79.662  37.744 71.284  33.656 8.378311       50.56990 
1 1 1 -9  6  43 o 90.333  41.984 38.918    49.043  0.0000    0.0000  38.918    49.043  ?       ?      90.333  41.984 0.000000       41.98417 
1 1 1 -9  6  45 o 144.401 53.567 189.592   55.182  262.259   111.947 166.267   63.423  96.440  48.480 113.916 50.880 -17.47619      70.27893 
1 1 1 -9  7  2  o 552.235 17.189 819.406   50.892  764.459   87.870  847.141   62.429  531.126 30.993 561.205 20.749 -30.07916      37.29711 
1 1 1 -9  7  4  o 919.416 21.965 2274.57   108.272 2406.57   187.445 2208.48   132.636 942.445 37.098 905.028 27.336 37.41803       46.08111 
1 1 1 -9  7  6  o 308.681 19.317 257.177   31.807  0.0000    0.0000  257.177   31.807  ?       ?      308.681 19.317 0.000000       19.31656 
1 1 1 -9  7  8  o 535.476 21.148 771.490   60.711  797.597   85.809  745.321   85.909  542.710 29.603 524.369 30.692 18.34100       42.64222 
1 1 1 -9  7  10 o 1026.83 28.817 2847.28   158.640 2847.28   158.640 0.0000    0.0000  1026.83 28.817 ?       ?      0.000000       28.81662 
1 1 1 -9  7  12 o 117.161 18.910 37.854    11.473  47.827    13.107  5.1621    23.731  131.991 19.076 81.283  33.560 50.70850       38.60275 
1 1 1 -9  7  14 o 506.968 14.861 690.601   40.392  683.596   46.571  711.869   81.149  504.186 17.229 512.078 29.685 -7.891907      34.32269 
1 1 1 -9  7  16 o 223.168 15.006 134.466   17.850  127.548   20.110  160.148   38.749  217.045 17.429 241.204 30.657 -24.15900      35.26480 
1 1 1 -9  7  18 o 327.420 20.641 290.153   36.048  290.153   36.048  0.0000    0.0000  327.420 20.641 ?       ?      0.000000       20.64098 
1 1 1 -9  7  20 o 244.816 18.809 162.517   24.499  182.643   29.620  118.921   43.593  259.188 21.510 204.415 41.200 54.77309       46.47703 
1 1 1 -9  7  22 o 294.504 15.916 234.413   25.038  255.117   34.480  211.318   36.417  306.352 21.122 277.934 24.696 28.41733       32.49709 
1 1 1 -9  7  24 o 248.867 16.578 168.136   21.992  149.799   30.781  187.258   31.433  232.917 25.043 261.332 22.659 -28.41524      33.77208 
1 1 1 -9  7  26 o 352.803 17.945 339.178   33.830  290.552   40.698  447.920   60.859  324.532 23.551 400.828 28.506 -76.29642      36.97633 
1 1 1 -9  7  28 o 103.007 29.813 30.667    17.407  25.411    20.809  42.915    31.766  97.098  33.226 122.263 41.056 -25.16499      52.81581 
1 1 1 -9  7  30 o 223.360 20.548 139.109   24.331  126.785   29.564  164.977   42.832  210.339 26.827 235.433 34.999 -25.09395      44.09735 
1 1 1 -9  7  32 o 219.559 22.755 136.967   26.397  175.314   43.953  115.332   33.013  240.001 35.206 195.662 32.620 44.33931       47.99447 
1 1 1 -9  7  34 o 171.012 27.088 87.328    24.008  101.728   39.500  78.891    30.233  172.361 42.911 155.907 36.767 16.45471       56.50827 
1 1 1 -9  7  36 o 196.389 22.570 113.902   23.333  99.298    33.683  127.375   32.352  169.662 37.977 199.997 31.189 -30.33551      49.14316 
1 1 1 -9  7  38 o 162.441 30.010 86.001    25.173  79.706    34.578  93.101    36.720  142.561 42.236 154.051 42.882 -11.49042      60.18961 
1 1 1 -9  7  40 o 71.042  30.996 7.0998    22.257  -0.6494   32.130  14.248    30.860  74.957  34.536 82.372  36.204 -7.414986      50.03437 
1 1 1 -9  7  42 o 111.359 44.370 65.916    39.810  0.0000    0.0000  65.916    39.810  ?       ?      111.359 44.370 0.000000       44.37005 
1 1 1 -9  7  44 o 81.477  38.504 31.593    44.274  31.649    83.062  31.571    52.328  81.969  41.278 81.502  39.397 0.4665527      57.06084 
1 1 1 -9  8  1  o 515.437 14.629 713.549   40.427  687.688   57.135  739.479   57.211  505.491 21.082 524.250 20.355 -18.75955      29.30497 
1 1 1 -9  8  3  o 671.829 16.196 1212.71   58.335  1231.60   82.577  1193.90   82.420  676.282 22.775 665.807 23.090 10.47522       32.43194 
1 1 1 -9  8  5  o 920.101 21.922 2279.02   108.140 2227.91   187.346 2304.55   132.429 905.726 38.581 924.294 26.724 -18.56744      46.93292 
1 1 1 -9  8  7  o 882.493 18.503 2094.15   87.545  2015.15   123.728 2173.34   123.886 864.245 26.703 897.730 25.740 -33.48505      37.08896 
1 1 1 -9  8  9  o 158.056 17.931 68.029    14.926  75.663    18.032  51.420    26.598  166.407 20.656 135.304 36.026 31.10268       41.52743 
1 1 1 -9  8  11 o 92.088  21.536 23.756    10.443  21.051    13.312  28.083    16.837  87.841  26.249 100.935 29.353 -13.09396      39.37732 
1 1 1 -9  8  13 o 521.307 14.824 730.260   41.431  723.127   47.822  751.729   82.960  518.537 17.202 526.228 29.524 -7.690491      34.17018 
1 1 1 -9  8  15 o 523.597 21.398 738.974   60.067  741.128   84.583  736.782   85.318  522.057 30.351 520.430 30.714 1.627258       43.18016 
1 1 1 -9  8  17 o 526.311 17.737 745.758   50.047  745.535   61.026  746.216   87.461  525.679 21.653 523.196 31.324 2.482361       38.07994 
1 1 1 -9  8  19 o 180.212 25.969 89.780    24.366  89.780    24.366  0.0000    0.0000  180.212 25.969 ?       ?      0.000000       25.96926 
1 1 1 -9  8  21 o 89.559  26.456 22.174    13.583  15.407    15.109  50.692    31.016  80.120  28.258 134.158 40.060 -54.03741      49.02413 
1 1 1 -9  8  23 o 145.179 32.357 60.494    24.542  0.0000    0.0000  60.494    24.542  ?       ?      145.179 32.357 0.000000       32.35719 
1 1 1 -9  8  25 o 353.652 17.906 340.737   33.840  326.112   40.929  372.335   60.160  344.446 22.283 363.997 31.127 -19.55060      38.28074 
1 1 1 -9  8  27 o 217.099 18.273 129.593   21.071  118.591   31.061  138.972   28.679  203.666 29.288 222.759 24.413 -19.09294      38.12908 
1 1 1 -9  8  29 o 222.375 24.985 140.071   29.272  107.351   39.673  179.164   43.365  186.232 40.858 246.835 33.645 -60.60274      52.92808 
1 1 1 -9  8  31 o 178.393 25.642 91.939    23.820  74.377    39.729  101.794   29.762  150.260 45.446 184.917 31.126 -34.65640      55.08361 
1 1 1 -9  8  33 o 61.700  27.738 -5.5344   19.183  16.404    29.667  -21.2969  25.147  91.364  37.601 61.946  29.196 29.41797       47.60499 
1 1 1 -9  8  35 o 92.870  31.041 26.814    18.158  84.333    29.362  -8.8068   23.106  159.536 35.266 64.327  29.508 95.20870       45.98298 
1 1 1 -9  8  37 f 90.224  37.838 20.868    30.853  20.868    30.853  0.0000    0.0000  90.224  37.838 ?       ?      0.000000       37.83761 
1 1 1 -9  8  39 o 106.863 35.626 41.479    23.920  -10.9359  37.700  76.796    30.946  75.937  35.777 141.897 39.320 -65.96014      53.16098 
1 1 1 -9  8  41 o 74.820  33.701 7.9288    28.473  1.3203    56.358  10.194    32.993  85.479  41.211 78.821  35.813 6.658646       54.59783 
1 1 1 -9  8  43 o 84.434  38.154 31.189    36.840  128.855   77.481  2.6593    41.876  105.265 50.093 74.109  35.677 31.15580       61.49916 
1 1 1 -9  9  2  o 655.253 16.099 1153.88   56.555  1162.17   79.941  1145.58   80.019  656.778 22.703 652.048 22.890 4.729736       32.23925 
1 1 1 -9  9  4  o 529.215 17.153 752.920   48.669  721.188   84.338  768.763   59.593  515.442 30.657 534.395 20.800 -18.95258      37.04733 
1 1 1 -9  9  6  o 386.274 14.031 400.751   29.057  378.941   41.062  422.629   41.125  374.647 20.521 396.331 19.354 -21.68320      28.20817 
1 1 1 -9  9  8  f 439.069 16.529 518.219   38.909  475.268   47.562  605.128   67.656  419.575 21.212 472.649 26.810 -53.07422      34.18657 
1 1 1 -9  9  10 o 342.008 15.925 314.403   29.200  299.864   35.161  346.712   52.415  333.184 19.772 357.147 27.588 -23.96378      33.94159 
1 1 1 -9  9  12 o 424.176 16.480 483.812   37.477  448.358   45.239  561.367   66.910  407.445 20.779 454.836 27.569 -47.39133      34.52265 
1 1 1 -9  9  14 o 144.923 20.217 57.668    15.281  58.905    17.879  54.315    29.432  145.896 23.669 138.915 38.288 6.980057       45.01308 
1 1 1 -9  9  16 o 123.951 20.833 42.558    13.353  38.306    14.968  59.129    29.552  116.861 24.665 144.394 37.750 -27.53295      45.09328 
1 1 1 -9  9  18 o 193.665 20.382 102.384   20.845  102.384   20.845  0.0000    0.0000  193.665 20.382 ?       ?      0.000000       20.38229 
1 1 1 -9  9  20 o 349.894 17.733 331.493   33.156  336.647   40.074  320.311   59.031  351.829 21.346 339.848 32.806 11.98111       39.13930 
1 1 1 -9  9  22 o 118.685 40.525 37.442    30.956  37.442    30.956  0.0000    0.0000  118.685 40.525 ?       ?      0.000000       40.52530 
1 1 1 -9  9  24 f 74.062  26.539 13.081    13.376  15.577    14.722  1.2731    32.023  79.287  27.903 87.883  37.760 -8.595894      46.95063 
1 1 1 -9  9  26 o 329.514 15.890 295.172   28.071  277.346   40.364  311.869   39.065  315.777 24.022 336.002 21.804 -20.22455      32.44139 
1 1 1 -9  9  28 o 140.798 29.675 58.254    21.694  57.705    26.598  59.346    37.497  138.109 35.671 138.659 44.504 -0.5497284     57.03510 
1 1 1 -9  9  30 o 182.584 27.635 97.026    26.206  86.261    44.586  102.708   32.391  160.762 48.037 184.434 34.011 -23.67166      58.85792 
1 1 1 -9  9  32 o 107.151 34.275 35.330    22.256  17.509    31.436  53.237    31.512  94.091  38.712 127.577 40.782 -33.48642      56.22997 
1 1 1 -9  9  34 o 150.802 29.326 70.680    22.856  134.029   33.905  17.909    30.945  206.791 31.583 91.223  38.047 115.5680       49.44769 
1 1 1 -9  9  36 o 137.143 45.109 73.988    38.396  73.988    38.396  0.0000    0.0000  137.143 45.109 ?       ?      0.000000       45.10855 
1 1 1 -9  9  38 o 99.023  39.161 33.360    30.797  26.869    34.724  57.288    66.668  95.085  40.022 115.071 51.724 -19.98621      65.39983 
1 1 1 -9  9  40 o 126.389 40.701 66.955    31.344  15.509    57.494  88.711    37.388  92.118  43.636 141.015 44.349 -48.89783      62.21697 
1 1 1 -9  9  42 o 89.924  38.709 35.982    33.769  5.9489    61.935  48.687    40.284  82.715  40.605 96.272  41.857 -13.55720      58.31602 
1 1 1 -9  10 1  o 838.125 20.822 1891.88   93.562  1916.66   114.736 1842.68   161.644 842.638 25.397 823.138 36.628 19.49927       44.57179 
1 1 1 -9  10 3  o 1446.14 30.216 5660.64   234.269 5654.39   286.991 5673.12   405.565 1441.81 37.127 1433.66 52.764 8.148315       64.51740 
1 1 1 -9  10 5  o 769.643 19.744 1594.50   81.470  1649.67   99.904  1484.97   140.760 782.107 23.826 739.322 35.512 42.78461       42.76405 
1 1 1 -9  10 7  o 401.679 20.476 435.611   43.950  435.611   43.950  0.0000    0.0000  401.679 20.476 ?       ?      0.000000       20.47618 
1 1 1 -9  10 9  f 135.129 17.617 49.945    12.460  36.664    17.719  62.934    17.524  114.214 28.911 151.200 22.285 -36.98620      36.50291 
1 1 1 -9  10 11 o 573.334 15.497 883.778   47.635  865.135   67.392  902.392   67.340  566.375 22.194 578.517 21.711 -12.14227      31.04753 
1 1 1 -9  10 13 o 253.171 15.277 172.998   20.639  170.542   28.485  175.712   29.944  250.534 21.413 254.207 22.194 -3.673035      30.83945 
1 1 1 -9  10 15 f 215.901 16.334 126.206   18.767  123.927   21.545  133.374   38.207  213.550 19.017 218.640 33.675 -5.089554      38.67366 
1 1 1 -9  10 17 o 358.297 16.991 346.193   32.638  346.193   32.638  0.0000    0.0000  358.297 16.991 ?       ?      0.000000       16.99054 
1 1 1 -9  10 19 o 271.121 18.509 199.761   26.743  196.981   32.461  205.633   47.180  268.282 22.784 271.154 33.144 -2.871735      40.21999 
1 1 1 -9  10 21 o 202.707 20.617 112.892   22.094  96.575    27.208  144.486   37.860  185.281 28.286 226.092 32.138 -40.81129      42.81340 
1 1 1 -9  10 23 f 96.662  27.617 26.565    15.026  26.565    15.026  0.0000    0.0000  96.662  27.617 ?       ?      0.000000       27.61745 
1 1 1 -9  10 25 o 528.280 18.502 762.390   52.403  751.633   64.048  784.173   91.143  521.955 22.888 524.748 32.557 -2.793152      39.79732 
1 1 1 -9  10 27 o 164.080 23.237 76.139    19.869  77.117    22.867  73.124    40.143  163.729 26.991 152.370 45.592 11.35947       52.98265 
1 1 1 -9  10 29 o 399.283 17.019 437.936   36.432  392.956   42.708  558.125   69.814  375.122 21.324 439.132 29.830 -64.00986      36.66817 
1 1 1 -9  10 31 o 213.051 23.406 130.368   26.294  128.398   45.200  131.376   32.327  195.967 44.088 209.922 29.541 -13.95567      53.06984 
1 1 1 -9  10 33 o 128.798 32.503 53.152    22.445  52.983    34.867  53.272    29.330  123.383 42.968 125.120 39.269 -1.737015      58.20896 
1 1 1 -9  10 35 f 118.819 43.700 51.527    36.584  51.527    36.584  0.0000    0.0000  118.819 43.700 ?       ?      0.000000       43.69993 
1 1 1 -9  10 37 o 97.702  36.172 31.634    25.138  5.3423    39.294  49.848    32.706  86.312  39.165 115.201 41.475 -28.88891      57.04448 
1 1 1 -9  10 39 o 63.517  30.467 -22.2864  29.906  -13.8651  50.461  -26.8456  37.130  82.196  39.466 68.903  33.277 13.29303       51.62333 
1 1 1 -9  10 41 o 76.407  36.469 -1.4174   41.720  0.0000    0.0000  -1.4174   41.720  ?       ?      76.407  36.469 0.000000       36.46948 
1 1 1 -9  11 2  o 1019.89 20.114 2802.55   109.981 2781.77   155.581 2823.30   155.492 1013.47 28.633 1021.09 28.403 -7.619385      40.33154 
1 1 1 -9  11 4  o 893.061 18.278 2146.87   87.516  2076.57   123.754 2217.20   123.780 876.365 26.339 905.799 25.489 -29.43390      36.65271 
1 1 1 -9  11 6  o 470.852 16.746 596.426   42.273  533.726   51.776  721.791   73.212  444.878 21.708 515.927 26.558 -71.04880      34.30115 
1 1 1 -9  11 8  o 126.037 18.103 43.634    11.882  36.643    17.240  49.958    16.398  114.081 28.319 134.071 23.678 -19.98997      36.91413 
1 1 1 -9  11 10 o 522.256 17.302 734.360   48.445  738.493   83.529  732.265   59.468  520.602 30.055 520.925 21.293 -0.3233643     36.83315 
1 1 1 -9  11 12 o 657.026 16.279 1162.29   57.345  1153.42   81.029  1171.19   81.166  653.054 23.143 658.102 23.004 -5.047607      32.63129 
1 1 1 -9  11 14 o 356.256 14.649 341.684   27.980  319.966   39.025  364.658   40.138  343.289 21.309 366.732 20.496 -23.44229      29.56627 
1 1 1 -9  11 16 o 171.560 28.963 82.593    25.691  82.593    25.691  0.0000    0.0000  171.560 28.963 ?       ?      0.000000       28.96277 
1 1 1 -9  11 18 o 136.971 30.194 53.609    21.576  70.630    31.378  38.342    29.716  155.947 37.900 119.161 39.707 36.78669       54.89161 
1 1 1 -9  11 20 o 277.941 16.468 209.919   24.429  195.697   29.246  242.746   44.434  267.308 20.565 295.205 28.426 -27.89716      35.08542 
1 1 1 -9  11 22 o 108.487 26.928 33.848    15.589  41.005    18.422  15.793    29.260  119.090 29.100 95.509  38.044 23.58044       47.89708 
1 1 1 -9  11 24 o 358.694 15.514 349.552   29.834  359.999   34.636  319.519   58.727  363.255 17.785 333.698 33.269 29.55658       37.72432 
1 1 1 -9  11 26 o 183.830 24.509 95.697    23.553  95.697    23.553  0.0000    0.0000  183.830 24.509 ?       ?      0.000000       24.50858 
1 1 1 -9  11 28 o 125.534 33.017 47.760    22.518  53.806    26.347  31.372    43.375  132.224 36.136 115.328 46.191 16.89577       58.64661 
1 1 1 -9  11 30 o 152.486 27.413 69.057    21.587  67.673    23.699  75.800    52.303  149.191 30.654 145.873 52.456 3.318237       60.75664 
1 1 1 -9  11 32 o 164.826 33.756 86.416    28.826  57.061    33.632  167.679   55.958  128.493 42.215 213.035 49.874 -84.54155      65.34183 
1 1 1 -9  11 34 o 106.111 42.553 34.329    36.861  34.329    36.861  0.0000    0.0000  106.111 42.553 ?       ?      0.000000       42.55254 
1 1 1 -9  11 36 o 126.645 36.561 56.010    26.207  67.222    41.074  48.312    34.036  129.335 46.488 114.803 42.162 14.53143       62.75948 
1 1 1 -9  11 38 o 252.260 27.945 203.445   37.160  237.631   69.858  189.955   43.883  215.853 58.779 231.386 36.591 -15.53302      69.23817 
1 1 1 -9  11 40 o 136.947 50.704 110.473   49.394  0.0000    0.0000  110.473   49.394  ?       ?      136.947 50.704 0.000000       50.70397 
1 1 1 -9  12 1  o 434.805 16.189 509.084   37.739  458.091   64.903  535.131   46.386  409.231 29.786 445.349 19.428 -36.11780      35.56199 
1 1 1 -9  12 3  o 300.864 16.140 244.401   25.939  255.072   44.557  238.930   31.902  305.346 27.513 296.867 20.163 8.478973       34.11069 
1 1 1 -9  12 5  o 212.197 17.352 122.114   19.568  116.587   33.754  124.912   24.015  204.513 31.819 214.028 21.208 -9.515289      38.23911 
1 1 1 -9  12 7  o 752.567 19.687 1528.56   79.434  1637.21   137.843 1474.55   97.195  774.026 33.217 737.756 24.573 36.26978       41.31824 
1 1 1 -9  12 9  o 535.486 21.469 775.457   61.636  0.0000    0.0000  775.457   61.636  ?       ?      535.486 21.469 0.000000       21.46920 
1 1 1 -9  12 11 o 193.351 17.985 101.765   18.430  80.142    32.939  111.619   22.236  167.229 37.647 202.074 20.823 -34.84505      43.02159 
1 1 1 -9  12 13 o 142.773 27.014 57.377    19.921  44.752    28.347  69.695    28.001  126.335 38.428 156.079 34.390 -29.74441      51.56910 
1 1 1 -9  12 15 o 176.092 20.388 85.208    18.892  76.516    32.387  89.691    23.259  162.522 37.871 179.716 24.801 -17.19391      45.26961 
1 1 1 -9  12 17 o 207.314 18.957 117.568   20.837  126.766   25.372  98.512    36.519  214.519 22.390 184.084 38.252 30.43451       44.32288 
1 1 1 -9  12 19 o 202.958 19.386 113.071   20.838  112.197   25.728  114.738   35.528  200.813 24.398 199.708 34.425 1.105286       42.19451 
1 1 1 -9  12 21 o 225.891 16.320 139.224   19.632  125.549   22.532  182.327   40.004  213.520 19.913 253.861 29.971 -40.34163      35.98286 
1 1 1 -9  12 23 o 339.435 15.317 312.964   27.874  308.636   32.153  326.055   55.918  335.817 17.923 338.363 31.176 -2.545929      35.96058 
1 1 1 -9  12 25 o 302.970 18.172 252.412   29.380  210.424   36.064  335.277   50.663  273.506 24.866 343.858 27.717 -70.35236      37.23615 
1 1 1 -9  12 27 o 122.846 29.486 44.998    19.173  44.998    19.173  0.0000    0.0000  122.846 29.486 ?       ?      0.000000       29.48626 
1 1 1 -9  12 29 o 61.795  26.025 3.0922    14.697  7.4101    15.422  -39.5928  48.489  67.696  27.391 83.065  39.556 -15.36885      48.11380 
1 1 1 -9  12 31 o 91.094  30.190 24.726    17.187  21.286    18.448  47.345    47.300  86.986  31.167 121.356 48.361 -34.37012      57.53369 
1 1 1 -9  12 33 o 124.788 40.920 53.899    31.606  53.899    31.606  0.0000    0.0000  124.788 40.920 ?       ?      0.000000       40.92013 
1 1 1 -9  12 35 o 94.921  32.891 28.533    20.419  30.276    21.526  12.886    64.498  97.215  33.766 104.547 48.436 -7.332329      59.04446 
1 1 1 -9  12 37 o 106.094 34.892 39.832    22.974  37.355    24.519  57.649    65.757  102.623 36.015 114.293 51.372 -11.66982      62.73919 
1 1 1 -9  12 39 o 104.917 45.285 53.700    46.469  0.0000    0.0000  53.700    46.469  ?       ?      104.917 45.285 0.000000       45.28456 
1 1 1 -9  13 2  o 333.415 16.130 299.817   28.833  288.111   35.390  322.929   49.726  325.636 20.373 343.078 27.259 -17.44153      34.03131 
1 1 1 -9  13 4  o 388.780 14.196 407.080   29.589  387.278   41.797  426.975   41.894  377.659 20.722 397.315 19.667 -19.65536      28.56945 
1 1 1 -9  13 6  o 333.929 14.060 300.316   25.172  285.928   35.664  314.598   35.532  324.328 20.618 340.492 19.547 -16.16351      28.41046 
1 1 1 -9  13 8  o 346.569 16.157 324.078   30.021  333.517   52.377  319.460   36.636  348.171 28.304 342.931 20.014 5.240448       34.66498 
1 1 1 -9  13 10 o 716.381 16.892 1386.35   64.877  1316.56   91.683  1456.34   91.817  695.135 24.601 731.665 23.407 -36.52966      33.95699 
1 1 1 -9  13 12 o 391.717 16.366 414.609   34.371  358.314   42.144  526.429   59.397  362.421 21.791 438.266 25.387 -75.84476      33.45699 
1 1 1 -9  13 14 f 193.003 18.743 101.936   19.150  93.697    32.654  106.256   23.642  180.548 34.997 196.125 22.916 -15.57709      41.83281 
1 1 1 -9  13 16 o 87.632  25.176 21.580    12.454  -0.5368   18.109  41.425    17.154  66.043  28.386 120.358 27.221 -54.31516      39.32920 
1 1 1 -9  13 18 o 110.670 27.991 35.225    16.620  43.719    20.964  20.856    27.267  122.789 31.646 98.322  37.400 24.46704       48.99183 
1 1 1 -9  13 20 o 78.990  27.477 15.815    14.257  19.448    17.901  9.5130    23.575  87.552  30.771 83.086  33.777 4.466728       45.69159 
1 1 1 -9  13 22 o 54.882  26.021 -23.0744  20.535  -23.0744  20.535  0.0000    0.0000  54.882  26.021 ?       ?      0.000000       26.02095 
1 1 1 -9  13 24 o 65.560  25.768 7.6112    13.258  18.984    15.487  -23.5879  25.651  84.176  28.665 63.120  29.668 21.05575       41.25348 
1 1 1 -9  13 26 o 236.399 17.987 154.883   22.626  157.921   26.158  145.858   45.092  237.450 20.756 215.994 40.425 21.45599       45.44254 
1 1 1 -9  13 28 o 315.672 16.739 275.980   28.228  280.519   31.977  259.953   60.082  316.872 18.909 285.759 40.339 31.11359       44.55065 
1 1 1 -9  13 30 o 305.638 26.051 273.179   42.280  273.179   42.280  0.0000    0.0000  305.638 26.051 ?       ?      0.000000       26.05070 
1 1 1 -9  13 32 o 99.810  30.930 30.923    18.261  28.571    19.491  47.816    52.230  96.608  32.157 121.578 49.946 -24.97004      59.40261 
1 1 1 -9  13 34 o 73.363  28.542 12.844    16.134  4.0479    16.712  133.476   61.890  64.573  27.498 170.753 57.307 -106.1795      63.56253 
1 1 1 -9  13 36 o 100.890 43.502 31.488    42.796  -0.0006   57.586  70.333    63.960  93.401  44.070 121.593 52.804 -28.19179      68.77778 
1 1 1 -9  14 1  o 253.048 14.316 173.253   19.343  191.395   28.317  157.383   26.484  264.866 20.091 239.879 20.799 24.98741       28.91780 
1 1 1 -9  14 3  o 397.056 14.438 425.217   30.736  422.362   43.776  427.994   43.164  393.898 20.803 396.649 20.366 -2.750702      29.11260 
1 1 1 -9  14 5  o 449.234 14.598 544.406   35.158  546.762   49.977  542.097   49.469  448.763 20.772 446.878 20.648 1.884674       29.28833 
1 1 1 -9  14 7  o 515.570 15.060 717.476   41.627  746.244   58.993  688.947   58.747  524.110 20.994 503.337 21.770 20.77332       30.24377 
1 1 1 -9  14 9  o 387.503 14.237 405.132   29.578  414.287   42.360  396.422   41.319  390.046 20.327 381.537 20.272 8.508820       28.70798 
1 1 1 -9  14 11 o 398.231 16.548 429.102   35.330  415.083   43.703  455.544   60.022  390.038 20.977 406.053 27.737 -16.01569      34.77604 
1 1 1 -9  14 13 o 74.552  23.704 14.976    10.657  16.762    16.318  13.647    14.072  82.855  29.352 75.910  27.218 6.944923       40.02972 
1 1 1 -9  14 15 o 257.022 18.065 180.307   24.736  179.846   30.161  181.253   43.229  255.525 22.238 252.734 32.668 2.791565       39.51863 
1 1 1 -9  14 17 o 170.353 20.544 80.367    18.385  89.235    22.422  62.173    32.117  178.639 24.020 144.674 40.045 33.96443       46.69686 
1 1 1 -9  14 19 o 173.000 19.551 82.795    17.815  81.998    20.736  85.040    34.816  171.095 23.204 168.474 39.271 2.620682       45.61409 
1 1 1 -9  14 21 o 119.851 27.515 41.759    17.306  41.759    17.306  0.0000    0.0000  119.851 27.515 ?       ?      0.000000       27.51521 
1 1 1 -9  14 23 o 139.554 23.836 55.724    17.194  43.195    20.459  85.851    31.726  120.406 31.376 168.323 36.229 -47.91622      47.92694 
1 1 1 -9  14 25 o 316.989 18.484 278.571   31.278  303.573   38.057  226.538   54.902  328.926 21.703 271.050 38.895 57.87650       44.54023 
1 1 1 -9  14 27 o 201.243 20.240 114.239   21.541  124.172   25.499  89.482    40.256  208.299 23.228 163.064 44.710 45.23492       50.38391 
1 1 1 -9  14 29 o 144.058 34.065 65.194    25.896  97.690    33.792  18.953    40.310  175.003 37.164 101.606 42.963 73.39656       56.80651 
1 1 1 -9  14 31 o 182.765 25.358 98.582    24.178  98.582    24.178  0.0000    0.0000  182.765 25.358 ?       ?      0.000000       25.35781 
1 1 1 -9  14 33 o 50.848  23.681 -11.1150  15.730  -8.4774   17.375  -23.1024  37.040  55.642  25.547 74.375  35.170 -18.73323      43.46924 
1 1 1 -9  14 35 o 89.041  33.543 24.464    21.802  10.454    25.368  64.053    42.642  78.495  33.664 123.818 46.848 -45.32230      57.68905 
1 1 1 -9  15 2  o 291.853 14.137 229.941   22.121  250.960   32.106  210.946   30.521  303.250 19.857 277.710 20.647 25.53979       28.64597 
1 1 1 -9  15 4  o 231.874 29.049 150.463   35.320  0.0000    0.0000  150.463   35.320  ?       ?      231.874 29.049 0.000000       29.04928 
1 1 1 -9  15 6  o 182.184 16.039 90.458    15.506  86.256    22.266  94.416    21.606  176.014 24.238 184.798 22.255 -8.784821      32.90551 
1 1 1 -9  15 8  o 161.490 16.535 71.321    14.114  69.291    20.603  73.116    19.375  157.103 25.322 162.095 22.935 -4.992554      34.16473 
1 1 1 -9  15 10 o 95.341  24.600 25.859    12.659  64.584    24.026  10.979    14.893  149.966 30.910 73.235  27.692 76.73136       41.50067 
1 1 1 -9  15 12 o 299.624 14.401 242.687   23.134  262.392   33.055  223.769   32.388  309.734 20.013 285.543 21.310 24.19080       29.23397 
1 1 1 -9  15 14 o 399.692 16.902 433.654   36.218  478.684   63.631  412.074   44.050  414.135 28.838 387.663 21.276 26.47192       35.83733 
1 1 1 -9  15 16 o 237.649 18.124 154.689   22.918  160.472   27.776  142.355   40.564  240.975 21.733 221.497 35.347 19.47813       41.49436 
1 1 1 -9  15 18 o 293.978 15.375 235.362   24.149  225.602   34.427  244.816   33.884  285.176 22.705 297.698 21.372 -12.52240      31.18164 
1 1 1 -9  15 20 f 85.482  27.356 20.332    14.176  17.147    16.348  29.982    28.458  82.413  29.360 106.666 38.646 -24.25243      48.53382 
1 1 1 -9  15 22 o 196.586 19.461 107.634   20.242  95.250    23.369  144.844   40.508  182.851 24.450 219.729 35.604 -36.87720      43.19098 
1 1 1 -9  15 24 o 86.944  34.563 15.154    24.107  23.659    36.283  8.4324    32.256  104.464 42.103 89.937  38.249 14.52702       56.88227 
1 1 1 -9  15 26 o 76.280  31.666 7.6049    21.294  9.7038    27.620  4.5293    33.434  85.456  35.817 87.979  38.192 -2.522858      52.35905 
1 1 1 -9  15 28 o 97.919  35.631 26.859    24.228  26.859    24.228  0.0000    0.0000  97.919  35.631 ?       ?      0.000000       35.63054 
1 1 1 -9  15 30 o 106.492 32.754 35.431    20.522  31.127    23.729  48.208    40.881  101.371 35.438 121.305 45.877 -19.93406      57.97061 
1 1 1 -9  15 32 f 80.285  32.620 13.723    21.972  16.576    25.658  5.8765    42.545  86.022  35.135 92.117  41.370 -6.094872      54.27610 
1 1 1 -9  15 34 o 147.162 33.912 73.322    26.206  64.798    31.550  92.289    47.061  131.434 40.643 144.766 49.947 -13.33281      64.39410 
1 1 1 -9  16 1  o 174.932 20.124 84.418    18.530  99.593    34.235  78.131    22.037  185.264 35.762 166.790 25.450 18.47433       43.89346 
1 1 1 -9  16 3  o 192.303 23.629 102.750   23.849  67.406    32.367  144.733   35.276  151.156 39.501 226.662 29.747 -75.50659      49.44958 
1 1 1 -9  16 5  o 431.115 14.652 502.516   33.866  550.071   48.624  457.711   47.197  449.335 20.184 408.865 21.608 40.46985       29.56823 
1 1 1 -9  16 7  o 174.277 19.755 83.723    18.132  65.291    22.745  115.862   30.034  151.130 29.128 202.807 28.402 -51.67790      40.68282 
1 1 1 -9  16 9  o 292.348 14.582 231.189   22.855  240.477   32.687  222.305   31.969  296.126 20.719 284.543 21.107 11.58405       29.57656 
1 1 1 -9  16 11 o 277.213 17.280 209.569   25.555  221.196   30.984  184.833   45.193  283.862 20.497 254.098 34.029 29.76337       39.72493 
1 1 1 -9  16 13 o 198.985 19.087 108.984   20.112  138.078   35.568  95.310    24.385  219.939 31.026 184.093 25.381 35.84648       40.08509 
1 1 1 -9  16 15 o 365.650 17.402 364.411   34.115  395.545   61.608  350.642   40.970  373.203 31.073 356.522 21.535 16.68140       37.80619 
1 1 1 -9  16 17 o 291.758 22.706 236.898   35.238  236.898   35.238  0.0000    0.0000  291.758 22.706 ?       ?      0.000000       22.70640 
1 1 1 -9  16 19 o 129.263 26.464 48.544    17.723  112.121   35.817  27.931    20.395  193.434 35.858 99.462  32.883 93.97195       48.65285 
1 1 1 -9  16 21 o 114.341 33.497 39.173    21.855  45.333    30.015  32.221    31.884  122.423 39.864 109.775 40.719 12.64835       56.98395 
1 1 1 -9  16 23 o 110.046 34.058 36.224    22.149  30.872    29.710  42.918    33.231  106.729 39.362 119.972 41.939 -13.24291      57.51699 
1 1 1 -9  16 25 o 242.357 18.909 163.646   24.375  182.404   28.577  113.558   46.697  254.782 21.111 184.114 47.113 70.66776       51.62628 
1 1 1 -9  16 27 o 130.041 34.119 52.827    24.085  52.827    24.085  0.0000    0.0000  130.041 34.119 ?       ?      0.000000       34.11936 
1 1 1 -9  16 29 o 184.654 24.395 99.662    23.559  97.798    27.075  105.473   47.810  179.925 29.058 169.223 49.535 10.70218       57.42847 
1 1 1 -9  16 31 o 131.257 36.688 58.079    26.820  40.947    33.761  87.390    44.159  111.183 41.769 150.118 48.307 -38.93480      63.86109 
1 1 1 -9  17 2  o 355.096 17.007 342.749   32.377  415.374   56.278  306.820   39.583  385.828 27.385 333.646 22.256 52.18164       35.28831 
1 1 1 -9  17 4  o 128.008 23.077 46.324    15.255  22.457    28.684  55.737    18.014  100.830 38.358 140.211 24.874 -39.38071      45.71697 
1 1 1 -9  17 6  o 135.484 22.338 51.628    15.660  79.104    28.613  39.878    18.711  164.696 33.544 117.252 29.724 47.44418       44.81906 
1 1 1 -9  17 8  o 312.102 29.764 274.941   49.200  0.0000    0.0000  274.941   49.200  ?       ?      312.102 29.764 0.000000       29.76389 
1 1 1 -9  17 10 o 267.380 21.733 197.687   30.885  0.0000    0.0000  197.687   30.885  ?       ?      267.380 21.733 0.000000       21.73284 
1 1 1 -9  17 12 o 214.347 18.587 126.487   21.148  168.464   38.370  108.171   25.345  242.886 30.111 196.112 24.650 46.77397       38.91448 
1 1 1 -9  17 14 o 183.170 21.583 93.692    20.788  79.786    38.876  99.261    24.601  160.297 43.931 187.324 25.129 -27.02692      50.61011 
1 1 1 -9  17 16 o 236.695 23.813 157.260   29.808  145.011   45.934  166.170   39.177  218.221 40.761 239.654 31.233 -21.43344      51.35139 
1 1 1 -9  17 18 o 188.565 22.762 100.095   22.546  113.857   28.399  76.637    37.079  199.307 27.295 156.256 42.937 43.05151       50.87775 
1 1 1 -9  17 20 o 67.543  26.270 8.7381    13.663  -3.6070   23.781  14.822    16.694  71.696  31.635 79.357  29.458 -7.660454      43.22703 
1 1 1 -9  17 22 o 122.532 27.390 44.219    17.541  42.828    20.283  48.343    34.940  119.473 31.293 126.080 43.054 -6.607758      53.22527 
1 1 1 -9  17 24 o 54.789  24.904 -7.8473   15.977  -20.0618  18.400  29.588    32.212  51.801  24.581 106.422 40.610 -54.62186      47.46929 
1 1 1 -9  17 26 o 69.366  29.540 3.3308    19.287  -8.4601   23.050  30.859    35.219  66.235  30.032 107.796 42.106 -41.56159      51.71904 
1 1 1 -9  17 28 o 159.605 30.962 78.527    25.538  84.616    31.017  65.712    44.997  161.785 36.613 135.559 48.665 26.22549       60.89972 
1 1 1 -9  17 30 f 98.907  35.003 30.630    23.200  45.666    27.666  -4.9932   42.584  116.020 38.297 87.125  40.000 28.89516       55.37714 
1 1 1 -9  18 1  o 241.653 16.076 159.508   20.709  171.052   30.422  149.539   28.270  247.874 23.160 231.669 23.068 16.20500       32.68818 
1 1 1 -9  18 3  o 122.053 28.075 43.238    17.988  35.496    22.267  57.782    30.520  110.929 34.118 138.739 39.263 -27.81049      52.01591 
1 1 1 -9  18 5  o 45.454  20.679 -6.4266   11.045  -20.1093  17.944  1.9203    14.015  51.494  24.388 60.405  25.426 -8.911110      35.23145 
1 1 1 -9  18 7  o 185.938 27.496 98.453    26.584  98.453    26.584  0.0000    0.0000  185.938 27.496 ?       ?      0.000000       27.49641 
1 1 1 -9  18 9  o 206.283 18.934 117.369   20.706  114.214   37.463  118.757   24.846  196.164 36.978 206.210 22.858 -10.04529      43.47276 
1 1 1 -9  18 11 o 145.850 22.397 59.968    16.953  86.177    30.473  48.220    20.402  170.716 34.481 128.255 30.175 42.46115       45.82014 
1 1 1 -9  18 13 o 298.689 19.387 245.702   30.878  245.614   39.126  245.848   50.279  296.120 24.875 291.831 32.697 4.289337       41.08396 
1 1 1 -9  18 15 o 356.248 15.751 345.671   30.084  336.679   43.129  354.192   41.985  347.657 23.273 357.316 22.024 -9.658966      32.04201 
1 1 1 -9  18 17 o 327.849 15.355 292.793   26.990  324.873   40.240  266.562   36.388  341.815 22.076 309.500 22.074 32.31509       31.21897 
1 1 1 -9  18 19 o 169.567 22.565 81.217    20.005  45.320    36.629  96.476    23.881  124.561 43.992 184.115 24.826 -59.55338      50.51410 
1 1 1 -9  18 21 o 228.335 21.876 146.454   26.452  176.650   33.262  94.499    43.630  249.138 25.251 169.887 46.532 79.25041       52.94193 
1 1 1 -9  18 23 o 140.834 35.412 61.559    26.710  61.559    26.710  0.0000    0.0000  140.834 35.412 ?       ?      0.000000       35.41160 
1 1 1 -9  18 25 o 132.476 31.485 53.976    22.033  59.730    26.711  41.727    38.971  137.240 35.894 117.935 44.747 19.30450       57.36454 
1 1 1 -9  18 27 o 78.694  30.826 14.023    18.917  14.140    21.805  13.669    38.041  81.667  32.736 95.251  41.043 -13.58398      52.49879 
1 1 1 -9  19 2  o 288.570 21.786 230.368   33.457  320.736   50.495  159.647   44.670  337.441 28.169 233.039 36.989 104.4028       46.49352 
1 1 1 -9  19 4  o 254.802 19.283 178.607   26.147  185.313   32.880  167.069   43.126  257.766 24.070 239.818 34.538 17.94731       42.09834 
1 1 1 -9  19 6  o 244.466 23.569 166.580   30.508  188.319   44.577  147.428   41.842  255.438 33.346 224.271 36.018 31.16748       49.08433 
1 1 1 -9  19 8  o 138.851 27.478 55.583    19.731  49.296    25.298  65.348    31.527  128.882 35.487 147.132 39.245 -18.25046      52.91021 
1 1 1 -9  19 10 o 145.990 37.862 64.154    29.884  64.154    29.884  0.0000    0.0000  145.990 37.862 ?       ?      0.000000       37.86151 
1 1 1 -9  19 12 o 139.177 29.451 56.490    21.290  59.652    28.877  52.725    31.513  140.690 37.574 132.518 40.560 8.171448       55.28940 
1 1 1 -9  19 14 o 145.917 30.560 62.464    23.141  39.446    30.547  93.464    35.450  117.639 40.256 175.557 38.706 -57.91756      55.84521 
1 1 1 -9  19 16 o 193.450 28.600 107.886   28.768  146.318   39.747  65.604    41.691  222.655 34.406 144.863 46.972 77.79214       58.22445 
1 1 1 -9  19 18 o 305.044 19.798 257.928   32.203  272.214   40.642  233.831   52.784  310.681 24.601 280.143 35.975 30.53815       43.58267 
1 1 1 -9  19 20 o 106.903 28.407 33.924    16.559  35.280    27.577  33.160    20.707  110.273 38.224 105.763 32.963 4.509720       50.47382 
1 1 1 -9  19 22 o 227.590 21.106 146.043   25.460  147.863   30.609  141.958   45.865  226.416 25.669 210.011 42.200 16.40506       49.39376 
1 1 1 -9  20 1  o 292.020 15.828 232.661   24.688  263.614   35.819  204.651   34.074  308.543 21.794 270.868 23.702 37.67465       32.19901 
1 1 1 -9  20 3  o 291.812 22.946 236.658   35.610  315.054   52.556  170.118   48.419  333.133 29.739 239.070 39.130 94.06291       49.14841 
1 1 1 -9  20 5  o 296.718 16.134 240.311   25.570  278.474   38.688  210.710   34.073  316.670 22.943 275.089 23.323 41.58179       32.71583 
1 1 1 -9  20 7  o 157.695 22.181 69.837    18.235  94.926    30.560  55.966    22.723  180.115 32.857 137.966 31.423 42.14915       45.46474 
1 1 1 -9  20 9  o 102.203 31.366 30.003    18.831  27.348    27.961  32.208    25.475  104.015 38.212 107.734 36.763 -3.718536      53.02535 
1 1 1 -9  20 11 o 56.610  24.582 -1.3018   13.859  11.584    27.880  -5.5306   15.972  89.269  36.561 57.116  25.520 32.15314       44.58701 
1 1 1 -9  20 13 o 252.175 17.010 174.613   22.862  266.147   38.352  124.152   28.475  308.551 23.357 209.023 25.969 99.52736       34.92799 
1 1 1 -9  20 15 o 142.386 32.523 60.648    24.283  65.113    37.407  57.395    31.924  143.861 44.217 136.258 40.633 7.603790       60.05128 
1 1 1 -9  20 17 o 152.404 24.157 66.605    19.080  80.770    31.983  58.778    23.774  161.670 37.608 139.699 32.375 21.97089       49.62415 
1 1 1 -9  20 19 o 68.960  27.799 7.6076    15.822  -26.8235  26.115  27.573    19.887  61.671  29.270 97.719  32.479 -36.04784      43.72209 
1 1 1 -9  21 2  f 225.806 28.282 145.835   33.487  183.195   51.412  118.304   44.133  246.144 40.358 195.152 43.312 50.99294       59.20071 
1 1 1 -9  21 4  o 248.188 20.335 170.698   26.821  253.105   54.397  144.230   30.829  293.803 35.237 225.671 25.953 68.13188       43.76321 
1 1 1 -9  21 6  o 215.057 25.377 130.874   28.696  185.316   49.235  102.865   35.314  249.042 38.085 185.022 36.895 64.01994       53.02551 
1 1 1 -9  21 8  o 209.513 22.002 122.787   24.345  189.160   60.180  109.800   26.620  244.519 47.619 196.432 25.909 48.08736       54.21097 
1 1 1 -9  21 10 o 217.232 22.888 132.545   26.255  124.884   68.920  133.845   28.397  188.587 60.315 217.463 24.800 -28.87610      65.21435 
1 1 1 -9  21 12 o 165.356 27.913 79.395    23.865  0.0000    0.0000  79.395    23.865  ?       ?      165.356 27.913 0.000000       27.91310 
1 1 1 -8  0  2  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -8  0  4  o 1080.15 29.855 3162.56   172.594 3162.56   172.594 3162.56   172.594 1080.15 29.855 1080.15 29.855 0.000000       0.000000 
1 1 1 -8  0  6  o 384.901 19.421 401.600   39.845  401.600   39.845  401.600   39.845  384.901 19.421 384.901 19.421 0.000000       0.000000 
1 1 1 -8  0  8  f 426.591 28.401 497.717   64.295  497.717   64.295  497.717   64.295  426.591 28.401 426.591 28.401 0.000000       0.000000 
1 1 1 -8  0  10 f 306.745 18.488 255.617   30.151  255.617   30.151  255.617   30.151  306.745 18.488 306.745 18.488 0.000000       0.000000 
1 1 1 -8  0  12 o 202.370 19.566 113.082   20.773  113.082   20.773  113.082   20.773  202.370 19.566 202.370 19.566 0.000000       0.000000 
1 1 1 -8  0  14 o 614.470 31.611 1024.99   103.507 1024.99   103.507 1024.99   103.507 614.470 31.611 614.470 31.611 0.000000       0.000000 
1 1 1 -8  0  16 o 361.202 19.924 353.500   38.314  353.500   38.314  353.500   38.314  361.202 19.924 361.202 19.924 0.000000       0.000000 
1 1 1 -8  0  18 o 155.289 23.899 69.207    18.495  69.207    18.495  69.207    18.495  155.289 23.899 155.289 23.899 0.000000       0.000000 
1 1 1 -8  0  20 o 476.928 30.196 619.643   76.501  619.643   76.501  619.643   76.501  476.928 30.196 476.928 30.196 0.000000       0.000000 
1 1 1 -8  0  22 o 275.953 21.513 208.346   31.383  208.346   31.383  208.346   31.383  275.953 21.513 275.953 21.513 0.000000       0.000000 
1 1 1 -8  0  24 o 402.854 21.175 439.887   45.446  439.887   45.446  439.887   45.446  402.854 21.175 402.854 21.175 0.000000       0.000000 
1 1 1 -8  0  26 o 856.301 26.398 1981.63   120.930 1981.63   120.930 1981.63   120.930 856.301 26.398 856.301 26.398 0.000000       0.000000 
1 1 1 -8  0  28 o 276.074 24.282 210.227   35.301  210.227   35.301  210.227   35.301  276.074 24.282 276.074 24.282 0.000000       0.000000 
1 1 1 -8  0  30 o 328.465 34.648 303.938   59.462  303.938   59.462  303.938   59.462  328.465 34.648 328.465 34.648 0.000000       0.000000 
1 1 1 -8  0  32 o 200.710 28.353 115.966   28.756  115.966   28.756  115.966   28.756  200.710 28.353 200.710 28.353 0.000000       0.000000 
1 1 1 -8  0  34 o 102.103 49.055 43.566    31.025  43.566    31.025  43.566    31.025  102.103 49.055 102.103 49.055 0.000000       0.000000 
1 1 1 -8  0  36 o 278.486 24.491 216.814   35.916  216.814   35.916  216.814   35.916  278.486 24.491 278.486 24.491 0.000000       0.000000 
1 1 1 -8  0  38 o 94.907  54.934 37.943    45.462  37.943    45.462  37.943    45.462  94.907  54.934 94.907  54.934 0.000000       0.000000 
1 1 1 -8  0  40 o 51.840  34.791 -7.1493   27.223  -7.1493   27.223  -7.1493   27.223  51.840  34.791 51.840  34.791 0.000000       0.000000 
1 1 1 -8  0  42 o 57.090  37.821 -2.8094   30.432  -2.8094   30.432  -2.8094   30.432  57.090  37.821 57.090  37.821 0.000000       0.000000 
1 1 1 -8  0  44 o 237.222 38.237 175.174   44.842  175.174   44.842  175.174   44.842  237.222 38.237 237.222 38.237 0.000000       0.000000 
1 1 1 -8  0  46 o 162.708 62.301 117.510   51.315  117.510   51.315  117.510   51.315  162.708 62.301 162.708 62.301 0.000000       0.000000 
1 1 1 -8  1  1  o 222.358 18.222 134.242   21.532  134.242   21.532  0.0000    0.0000  222.358 18.222 ?       ?      0.000000       18.22213 
1 1 1 -8  1  3  o 234.671 14.762 148.819   18.479  149.341   22.552  147.752   32.235  234.618 18.068 231.794 26.411 2.824387       31.99951 
1 1 1 -8  1  5  o 177.777 12.508 85.387    11.846  70.090    16.201  102.958   17.364  160.011 19.273 194.752 16.795 -34.74132      25.56401 
1 1 1 -8  1  7  o 275.617 18.096 205.679   26.592  239.995   37.816  172.113   37.400  296.772 23.972 250.075 28.399 46.69753       37.16383 
1 1 1 -8  1  9  o 439.911 19.728 521.984   46.529  482.453   65.601  562.002   66.005  420.392 29.289 454.415 27.218 -34.02295      39.98351 
1 1 1 -8  1  11 o 158.151 13.992 67.749    11.741  72.550    16.465  62.782    16.747  162.993 19.211 151.120 21.258 11.87296       28.65263 
1 1 1 -8  1  13 o 385.826 15.953 400.173   32.999  404.005   56.735  398.214   40.567  385.624 27.625 384.090 19.767 1.534546       33.96865 
1 1 1 -8  1  15 o 798.707 17.520 1714.96   75.024  1758.73   106.077 1671.15   106.123 807.737 24.495 787.252 25.143 20.48505       35.10275 
1 1 1 -8  1  17 o 298.590 13.810 239.406   22.108  234.708   31.226  244.127   31.304  294.713 19.879 300.635 19.528 -5.922272      27.86593 
1 1 1 -8  1  19 o 641.096 22.729 1107.42   78.122  1122.39   110.493 1092.46   110.470 643.797 32.012 634.230 32.598 9.567078       45.68845 
1 1 1 -8  1  21 o 240.987 15.248 156.742   19.599  145.250   27.946  167.864   27.494  230.928 22.873 248.725 20.809 -17.79758      30.92269 
1 1 1 -8  1  23 o 724.508 16.954 1413.16   65.854  1480.47   93.243  1346.18   93.021  740.101 23.499 705.461 24.595 34.64081       34.01630 
1 1 1 -8  1  25 f 321.880 20.765 281.044   35.643  306.866   51.299  256.946   49.559  334.628 28.877 305.547 30.667 29.08099       42.12310 
1 1 1 -8  1  27 o 396.465 15.322 423.776   32.568  403.112   46.389  443.862   45.735  384.754 22.588 404.167 21.180 -19.41309      30.96438 
1 1 1 -8  1  29 o 524.169 18.142 745.825   50.982  754.382   89.943  741.775   61.884  519.188 32.476 521.152 22.148 -1.963989      39.30931 
1 1 1 -8  1  31 o 205.508 18.773 116.504   20.456  107.574   29.339  124.950   28.535  193.623 29.168 210.338 25.848 -16.71461      38.97291 
1 1 1 -8  1  33 o 147.780 26.822 63.699    20.468  104.392   33.695  39.904    25.767  185.552 35.158 115.173 36.884 70.37888       50.95584 
1 1 1 -8  1  35 o 254.500 20.149 182.671   27.268  215.619   45.579  164.306   34.029  266.610 32.564 236.478 27.345 30.13187       42.52277 
1 1 1 -8  1  37 o 125.044 31.665 50.067    21.250  61.455    27.290  32.526    33.869  135.324 36.692 104.329 41.128 30.99434       55.11600 
1 1 1 -8  1  39 o 108.885 42.256 45.546    35.292  30.937    48.691  61.718    51.227  101.161 44.920 117.622 48.996 -16.46092      66.47093 
1 1 1 -8  1  41 o 177.243 26.815 102.377   24.685  107.249   35.032  97.573    34.788  163.480 40.241 153.499 41.346 9.981308       57.69586 
1 1 1 -8  1  43 o 67.869  31.741 -2.6234   28.738  -23.3978  41.822  15.961    39.556  69.714  34.042 82.109  38.002 -12.39505      51.02033 
1 1 1 -8  1  45 o 91.318  37.696 43.870    29.932  29.606    41.247  59.736    43.502  80.956  37.913 93.683  41.969 -12.72744      56.55836 
1 1 1 -8  1  47 o 71.519  35.499 34.887    52.115  -41.1754  79.922  91.152    68.739  64.709  33.241 78.380  39.198 -13.67050      51.39492 
1 1 1 -8  2  2  o 641.225 22.313 1111.84   76.708  1111.84   76.708  0.0000    0.0000  641.225 22.313 ?       ?      0.000000       22.31294 
1 1 1 -8  2  4  o 633.832 18.116 1083.15   61.561  1045.99   75.383  1157.52   106.662 621.874 22.610 651.806 30.522 -29.93231      37.98467 
1 1 1 -8  2  6  o 338.060 15.134 307.554   27.430  307.554   27.430  0.0000    0.0000  338.060 15.134 ?       ?      0.000000       15.13405 
1 1 1 -8  2  8  o 464.273 15.698 580.037   39.073  434.886   67.156  654.319   48.041  398.463 31.698 492.783 18.184 -94.31912      36.54338 
1 1 1 -8  2  10 o 392.474 13.641 413.975   28.704  427.369   40.489  400.443   40.699  398.299 18.961 384.964 19.786 13.33459       27.40442 
1 1 1 -8  2  12 o 360.429 15.576 349.195   30.098  322.272   52.317  362.514   36.798  343.986 28.628 366.535 18.789 -22.54926      34.24311 
1 1 1 -8  2  14 o 450.118 16.409 544.502   39.599  527.764   48.454  578.162   68.712  442.838 20.409 461.894 27.878 -19.05545      34.54985 
1 1 1 -8  2  16 o 388.029 13.972 404.311   29.068  388.902   40.792  420.206   41.431  379.686 20.111 395.257 19.551 -15.57047      28.04804 
1 1 1 -8  2  18 o 800.520 17.603 1722.85   75.548  1684.62   106.813 1761.12   106.871 790.386 25.206 808.235 24.663 -17.84937      35.26531 
1 1 1 -8  2  20 o 716.898 16.786 1382.10   64.519  1418.26   91.210  1345.88   91.276  725.117 23.462 706.252 24.106 18.86530       33.63873 
1 1 1 -8  2  22 o 436.153 14.756 511.474   34.504  497.741   48.895  525.096   48.697  429.568 21.231 441.297 20.583 -11.72888      29.57002 
1 1 1 -8  2  24 f 290.136 21.235 228.533   32.802  234.751   46.588  222.419   46.194  292.241 30.168 284.230 30.807 8.011475       43.11848 
1 1 1 -8  2  26 o 334.644 15.132 301.655   27.148  248.652   38.581  353.638   38.208  301.794 24.044 361.182 19.807 -59.38712      31.15171 
1 1 1 -8  2  28 f 140.967 26.143 56.048    19.030  40.644    33.713  63.252    23.055  123.577 42.291 149.048 29.891 -25.47153      51.78810 
1 1 1 -8  2  30 f 307.802 18.542 259.253   30.455  246.453   36.537  288.391   55.125  298.439 23.013 318.082 32.795 -19.64288      40.06409 
1 1 1 -8  2  32 o 273.334 19.277 206.686   28.068  270.117   47.327  172.271   34.861  306.882 29.114 245.819 26.890 61.06271       39.63176 
1 1 1 -8  2  34 o 105.981 35.736 33.408    24.068  33.408    24.068  0.0000    0.0000  105.981 35.736 ?       ?      0.000000       35.73563 
1 1 1 -8  2  36 f 176.054 22.183 89.640    20.473  95.306    29.121  84.102    28.788  175.006 32.225 162.827 34.072 12.17894       46.89684 
1 1 1 -8  2  38 o 69.076  31.359 -4.2798   25.232  13.809    43.081  -13.7243  31.130  93.882  41.933 70.891  33.115 22.99039       53.43173 
1 1 1 -8  2  40 f 171.382 32.762 101.819   29.005  80.620    33.887  159.907   56.094  139.693 41.910 176.572 54.126 -36.87801      68.45474 
1 1 1 -8  2  42 o 137.324 36.857 74.379    27.703  77.169    35.406  69.974    44.485  128.481 43.343 114.060 46.387 14.42123       63.48548 
1 1 1 -8  2  44 o 114.974 42.045 70.124    33.796  47.747    51.460  87.095    44.815  91.745  42.762 114.764 46.603 -23.01910      63.24870 
1 1 1 -8  2  46 o 67.333  32.810 3.7209    38.272  10.735    68.220  0.4998    46.232  73.194  36.928 68.551  33.922 4.642593       50.14356 
1 1 1 -8  3  1  o 530.501 16.755 757.645   47.654  729.999   82.424  771.525   58.405  517.524 29.833 534.795 20.370 -17.27106      36.12409 
1 1 1 -8  3  3  o 606.324 21.083 992.326   68.534  992.326   68.534  0.0000    0.0000  606.324 21.083 ?       ?      0.000000       21.08296 
1 1 1 -8  3  5  o 558.971 14.479 840.250   43.391  870.998   50.149  748.668   86.546  568.844 16.444 523.777 30.957 45.06665       35.05362 
1 1 1 -8  3  7  o 231.556 18.306 145.304   22.540  145.304   22.540  0.0000    0.0000  231.556 18.306 ?       ?      0.000000       18.30564 
1 1 1 -8  3  9  o 110.523 17.474 33.670    10.010  20.532    15.565  42.938    13.072  88.480  28.701 124.660 20.255 -36.18017      35.12876 
1 1 1 -8  3  11 f 403.361 19.670 437.978   42.537  0.0000    0.0000  437.978   42.537  ?       ?      403.361 19.670 0.000000       19.67002 
1 1 1 -8  3  13 o 367.519 13.705 362.707   27.004  339.954   38.012  385.890   38.369  354.892 20.060 378.785 18.893 -23.89374      27.55664 
1 1 1 -8  3  15 o 689.615 16.395 1277.79   60.617  1274.94   85.692  1280.65   85.761  688.044 23.230 689.586 23.197 -1.541870      32.82876 
1 1 1 -8  3  17 o 257.899 13.858 179.118   19.091  173.989   26.614  184.555   27.401  253.561 19.733 261.195 19.713 -7.633545      27.89214 
1 1 1 -8  3  19 o 350.277 20.269 331.426   37.902  355.269   52.798  306.076   54.442  361.588 27.440 334.875 30.664 26.71237       41.14887 
1 1 1 -8  3  21 o 365.431 14.332 358.926   28.078  322.616   39.525  395.919   39.895  345.232 21.461 382.880 19.500 -37.64746      28.99653 
1 1 1 -8  3  23 o 470.775 15.002 596.188   37.866  567.889   53.493  624.607   53.607  458.586 21.758 481.095 20.783 -22.50964      30.08891 
1 1 1 -8  3  25 o 506.850 17.630 692.753   47.909  638.071   83.004  720.070   58.668  482.070 32.303 516.066 21.204 -33.99609      38.64041 
1 1 1 -8  3  27 o 315.427 15.910 269.197   26.818  264.831   38.110  273.480   37.746  311.290 22.998 316.515 22.388 -5.225311      32.09545 
1 1 1 -8  3  29 o 208.954 21.724 120.605   23.981  148.115   43.873  108.884   28.637  225.870 37.548 196.518 27.970 29.35275       46.82033 
1 1 1 -8  3  31 o 373.639 18.189 382.236   36.436  409.848   64.450  369.266   44.172  377.514 32.150 364.485 22.718 13.02829       39.36626 
1 1 1 -8  3  33 o 249.785 26.461 179.279   34.896  179.279   34.896  0.0000    0.0000  249.785 26.461 ?       ?      0.000000       26.46081 
1 1 1 -8  3  35 o 262.700 20.694 195.371   28.910  142.773   51.982  218.924   34.786  201.253 48.703 275.901 23.748 -74.64807      54.18453 
1 1 1 -8  3  37 o 124.379 34.523 51.256    23.835  44.785    46.048  53.624    27.858  115.624 47.128 124.951 38.115 -9.326431      60.61204 
1 1 1 -8  3  39 o 121.891 39.876 57.594    30.019  79.279    38.149  22.331    48.648  136.821 44.961 96.405  43.678 40.41608       62.68401 
1 1 1 -8  3  41 o 111.996 38.276 50.958    27.615  65.412    39.995  37.790    38.176  116.489 45.045 97.536  41.549 18.95296       61.28098 
1 1 1 -8  3  43 o 136.079 42.564 87.504    34.491  138.059   58.799  60.981    42.588  136.649 54.088 105.104 44.286 31.54520       69.90511 
1 1 1 -8  3  45 o 139.899 39.314 94.809    30.711  72.073    40.506  125.549   47.099  101.604 43.020 128.051 49.047 -26.44748      65.24088 
1 1 1 -8  4  2  o 681.319 16.071 1248.44   58.705  1266.82   83.037  1230.07   83.005  685.218 22.603 675.142 22.932 10.07617       32.19898 
1 1 1 -8  4  4  o 952.607 19.231 2444.08   98.217  2533.67   138.955 2354.63   138.846 967.774 26.781 932.637 27.768 35.13696       38.57863 
1 1 1 -8  4  6  o 540.791 16.586 786.595   48.087  828.040   58.993  704.531   83.013  554.456 19.846 508.890 30.568 45.56592       36.44529 
1 1 1 -8  4  8  o 904.716 21.550 2205.56   104.527 2252.95   128.114 2111.21   180.776 913.263 26.166 880.247 38.306 33.01587       46.38939 
1 1 1 -8  4  10 o 351.554 19.102 333.438   35.867  333.438   35.867  0.0000    0.0000  351.554 19.102 ?       ?      0.000000       19.10151 
1 1 1 -8  4  12 o 420.447 13.846 474.670   31.210  465.466   43.845  484.125   44.437  415.996 19.659 424.260 19.536 -8.265045      27.71535 
1 1 1 -8  4  14 o 698.684 18.944 1312.51   70.961  1277.59   86.799  1382.88   123.218 688.772 23.506 715.165 32.137 -26.39294      39.81541 
1 1 1 -8  4  16 o 731.531 16.825 1438.07   65.987  1452.42   93.280  1423.70   93.359  734.280 23.695 726.944 23.954 7.335632       33.69351 
1 1 1 -8  4  18 o 506.496 21.000 690.787   57.025  650.764   80.380  731.341   80.912  489.407 30.791 519.271 29.182 -29.86411      42.42265 
1 1 1 -8  4  20 o 153.362 17.093 64.052    13.815  67.408    19.577  60.723    19.498  156.225 24.153 147.860 25.519 8.364868       35.13646 
1 1 1 -8  4  22 o 582.293 15.480 912.116   48.326  847.432   67.885  978.573   68.809  560.155 22.605 602.188 21.313 -42.03271      31.06786 
1 1 1 -8  4  24 o 272.528 18.063 201.114   26.243  160.924   44.538  222.487   32.479  239.872 35.722 286.165 21.323 -46.29240      41.60229 
1 1 1 -8  4  26 o 324.772 15.375 284.357   26.771  271.163   37.508  298.058   38.221  315.400 22.326 330.899 21.664 -15.49945      31.10899 
1 1 1 -8  4  28 o 369.202 22.134 373.367   43.611  0.0000    0.0000  373.367   43.611  ?       ?      369.202 22.134 0.000000       22.13445 
1 1 1 -8  4  30 o 425.600 18.278 494.841   41.707  485.700   51.305  512.652   71.615  418.834 22.935 424.296 31.711 -5.461945      39.13598 
1 1 1 -8  4  32 o 93.141  31.329 24.201    18.497  -0.8631   25.586  51.642    26.772  76.068  33.210 129.819 36.786 -53.75067      49.55924 
1 1 1 -8  4  34 o 100.011 29.759 30.029    17.138  18.888    25.303  39.471    23.294  90.748  35.620 113.031 34.918 -22.28362      49.88084 
1 1 1 -8  4  36 o 232.009 19.696 153.145   24.268  131.910   36.378  170.172   32.575  203.730 34.539 239.939 25.724 -36.20886      43.06616 
1 1 1 -8  4  38 o 73.070  30.602 9.7206    20.136  21.251    33.169  2.9903    25.341  91.706  38.885 73.271  32.477 18.43440       50.66345 
1 1 1 -8  4  40 o 133.032 41.830 73.931    33.263  62.665    42.968  90.780    52.545  115.416 46.062 128.796 51.083 -13.37949      68.78325 
1 1 1 -8  4  42 o 79.153  34.407 16.372    27.210  -58.2556  46.034  56.444    33.733  65.742  32.752 110.576 41.709 -44.83327      53.03139 
1 1 1 -8  4  44 o 71.204  32.614 9.5855    28.081  57.992    62.205  -2.8043   31.471  92.237  44.163 67.355  32.015 24.88243       54.54657 
1 1 1 -8  4  46 o 65.715  31.434 7.8560    31.351  -5.3228   69.594  11.211    35.116  70.112  35.587 67.943  32.699 2.169556       48.32871 
1 1 1 -8  5  1  o 1131.24 21.146 3445.20   128.247 3482.86   181.362 3407.54   181.374 1135.01 29.804 1122.56 30.137 12.44641       42.38514 
1 1 1 -8  5  3  o 1453.76 30.166 5716.75   235.118 5565.31   287.907 6019.98   407.383 1430.85 37.531 1479.22 51.369 -48.37646      63.61835 
1 1 1 -8  5  5  f 1418.87 29.269 5441.46   222.652 5669.20   272.748 4986.54   385.487 1445.61 35.192 1345.40 53.442 100.2042       63.98856 
1 1 1 -8  5  7  o 1227.39 26.067 4063.17   171.531 4292.10   210.126 3605.86   296.978 1259.86 31.109 1147.79 48.260 112.0786       57.41808 
1 1 1 -8  5  9  o 988.112 19.608 2625.95   103.875 2681.61   120.001 2459.58   207.462 998.022 22.427 951.133 40.684 46.88885       46.45615 
1 1 1 -8  5  11 o 563.094 21.404 853.116   64.617  853.116   64.617  0.0000    0.0000  563.094 21.404 ?       ?      0.000000       21.40386 
1 1 1 -8  5  13 o 320.090 15.936 275.215   27.348  275.215   27.348  0.0000    0.0000  320.090 15.936 ?       ?      0.000000       15.93600 
1 1 1 -8  5  15 o 428.426 16.526 493.187   37.959  500.981   65.088  489.169   46.729  429.896 28.400 426.412 20.440 3.483978       34.99082 
1 1 1 -8  5  17 o 262.798 20.121 186.962   28.134  189.093   39.382  184.740   40.207  263.044 28.374 259.782 29.385 3.262085       40.84827 
1 1 1 -8  5  19 o 514.119 14.886 710.418   41.030  682.217   58.011  738.646   58.039  503.091 21.508 523.594 20.675 -20.50223      29.83369 
1 1 1 -8  5  21 o 664.943 16.335 1189.70   58.235  1206.59   82.362  1172.82   82.353  668.421 22.983 658.931 23.311 9.489990       32.73579 
1 1 1 -8  5  23 o 415.565 30.092 472.329   66.589  472.329   66.589  0.0000    0.0000  415.565 30.092 ?       ?      0.000000       30.09160 
1 1 1 -8  5  25 o 518.620 15.416 724.831   42.865  759.002   61.014  691.529   60.234  529.386 21.497 505.126 22.242 24.25970       30.93277 
1 1 1 -8  5  27 o 425.431 17.986 490.499   41.025  419.797   72.581  523.691   49.730  386.171 35.453 438.682 21.145 -52.51114      41.27965 
1 1 1 -8  5  29 o 74.847  29.828 8.9601    17.994  20.234    21.436  -17.9413  33.113  91.667  33.490 77.644  35.509 14.02268       48.81081 
1 1 1 -8  5  31 o 233.590 17.797 150.419   22.120  148.797   31.562  151.985   31.011  228.723 26.212 231.586 25.393 -2.862808      36.49465 
1 1 1 -8  5  33 o 88.040  30.438 21.413    17.482  27.267    24.463  15.302    24.991  99.350  35.857 87.643  35.076 11.70671       50.15995 
1 1 1 -8  5  35 o 242.799 22.282 169.124   28.682  121.820   50.897  191.135   34.719  181.707 50.453 255.550 25.689 -73.84241      56.61633 
1 1 1 -8  5  37 o 98.600  32.749 31.446    20.220  39.995    33.160  26.386    25.511  108.318 41.234 93.888  36.065 14.43034       54.78036 
1 1 1 -8  5  39 o 108.654 39.659 45.642    30.049  76.237    38.640  -1.1710   47.796  132.271 45.276 85.982  40.441 46.28934       60.70721 
1 1 1 -8  5  41 o 220.742 24.742 154.085   28.777  199.962   49.979  131.331   35.197  219.795 43.949 188.715 36.103 31.08023       56.87638 
1 1 1 -8  5  43 o 80.672  39.068 3.4159    52.065  3.4159    52.065  0.0000    0.0000  80.672  39.068 ?       ?      0.000000       39.06789 
1 1 1 -8  5  45 o 103.164 40.442 64.943    32.581  138.239   102.875 56.772    34.349  89.049  44.978 94.973  39.881 -5.923233      60.11250 
1 1 1 -8  6  2  o 2006.69 39.010 10924.61  419.688 10665.57  513.962 11442.99  727.059 1976.34 48.506 2030.53 66.787 -54.19043      82.54272 
1 1 1 -8  6  4  o 2129.12 36.135 12277.55  412.476 12529.94  583.333 12025.16  583.325 2140.20 50.838 2095.74 51.916 44.45239       72.66240 
1 1 1 -8  6  6  o 1584.95 28.073 6775.42   238.545 6769.83   337.370 6781.01   337.337 1579.40 39.842 1580.72 39.805 -1.320801      56.31903 
1 1 1 -8  6  8  o 1037.63 20.087 2895.12   111.746 2622.46   157.949 3168.37   158.116 985.715 29.888 1084.10 27.204 -98.38385      40.41479 
1 1 1 -8  6  10 o 314.921 13.587 266.230   22.940  263.429   26.581  274.403   45.406  312.776 15.904 317.948 26.889 -5.172150      31.24013 
1 1 1 -8  6  12 o 304.590 15.798 249.854   25.710  249.854   25.710  0.0000    0.0000  304.590 15.798 ?       ?      0.000000       15.79845 
1 1 1 -8  6  14 o 582.045 17.827 910.646   55.629  914.184   68.169  903.593   96.247  582.776 21.818 577.328 31.211 5.447449       38.08099 
1 1 1 -8  6  16 o 378.565 20.341 386.868   41.133  390.965   58.520  382.867   57.828  379.217 29.003 375.253 28.968 3.964478       40.99205 
1 1 1 -8  6  18 o 477.572 14.822 612.968   37.951  628.870   53.394  596.730   53.953  483.147 20.613 470.549 21.386 12.59753       29.70305 
1 1 1 -8  6  20 o 346.510 14.459 322.785   26.862  309.332   37.898  336.366   38.079  338.037 21.015 352.675 20.224 -14.63785      29.16568 
1 1 1 -8  6  22 o 357.443 20.916 346.085   39.908  350.115   56.590  342.097   56.289  357.644 29.784 353.447 29.988 4.197327       42.26545 
1 1 1 -8  6  24 o 506.578 17.680 692.506   48.018  595.608   83.255  740.807   58.780  464.655 33.648 523.245 20.953 -58.59003      39.63866 
1 1 1 -8  6  26 f 499.613 17.529 675.679   46.954  615.927   80.538  706.445   57.792  470.684 32.107 509.737 21.147 -39.05237      38.44571 
1 1 1 -8  6  28 o 154.439 27.437 68.004    21.885  81.654    26.215  36.613    39.755  168.677 30.093 121.585 45.395 47.09245       54.46307 
1 1 1 -8  6  30 o 189.154 22.438 100.365   22.311  146.059   42.214  82.654    26.281  221.415 36.858 168.405 30.219 53.00963       47.66187 
1 1 1 -8  6  32 o 115.850 33.276 40.692    21.759  58.382    41.052  33.781    25.660  135.440 46.654 107.719 36.896 27.72131       59.48048 
1 1 1 -8  6  34 o 291.214 20.183 239.015   31.318  188.952   54.970  263.075   38.107  237.594 44.796 302.869 23.656 -65.27544      50.65900 
1 1 1 -8  6  36 o 141.033 27.967 61.416    20.399  52.134    29.846  69.554    27.946  122.549 39.744 144.166 36.206 -21.61701      53.76258 
1 1 1 -8  6  38 o 62.583  28.146 -2.0931   19.773  -5.4665   30.233  0.4282    26.137  72.665  33.488 71.828  32.327 0.8376083      46.54516 
1 1 1 -8  6  40 o 90.754  35.722 27.979    25.514  59.307    35.671  -4.8369   36.509  116.946 43.130 76.381  35.738 40.56509       56.01282 
1 1 1 -8  6  42 o 201.226 29.074 138.552   30.456  89.193    46.055  176.912   40.601  124.530 48.286 215.188 36.496 -90.65802      60.52739 
1 1 1 -8  6  44 o 72.139  34.530 4.3062    37.963  0.0000    0.0000  4.3062    37.963  ?       ?      72.139  34.530 0.000000       34.52959 
1 1 1 -8  7  1  o 309.321 15.213 256.916   25.229  251.464   30.951  267.710   43.554  305.293 19.004 314.174 26.093 -8.881012      32.28030 
1 1 1 -8  7  3  o 679.385 16.109 1239.62   58.675  1266.23   83.004  1213.04   82.955  686.020 22.568 671.403 23.046 14.61658       32.25534 
1 1 1 -8  7  5  o 623.531 15.625 1044.06   52.234  1037.76   73.884  1050.35   73.856  621.091 22.188 624.860 22.046 -3.768982      31.27860 
1 1 1 -8  7  7  o 1269.30 23.239 4335.95   158.145 4755.79   223.733 3916.72   223.568 1327.16 31.444 1203.48 34.650 123.6801       46.79040 
1 1 1 -8  7  9  o 1013.79 20.050 2763.47   108.976 2846.01   154.090 2680.87   154.141 1027.34 27.976 996.910 28.840 30.43512       40.17958 
1 1 1 -8  7  11 o 550.853 21.335 816.406   63.007  816.406   63.007  0.0000    0.0000  550.853 21.335 ?       ?      0.000000       21.33460 
1 1 1 -8  7  13 o 813.786 20.557 1782.04   89.690  1738.04   109.823 1870.14   155.418 802.852 25.515 830.693 34.897 -27.84070      43.22964 
1 1 1 -8  7  15 o 446.262 16.751 535.387   40.079  535.387   40.079  0.0000    0.0000  446.262 16.751 ?       ?      0.000000       16.75138 
1 1 1 -8  7  17 o 503.776 14.937 682.107   40.343  670.845   46.527  716.227   80.983  499.370 17.378 513.449 29.543 -14.07925      34.27565 
1 1 1 -8  7  19 o 377.601 14.541 383.300   29.437  360.505   41.076  407.368   42.208  365.034 21.078 388.226 20.349 -23.19165      29.29839 
1 1 1 -8  7  21 o 703.615 23.844 1339.23   89.947  1296.60   126.828 1382.36   127.586 688.993 34.334 711.756 33.435 -22.76233      47.92426 
1 1 1 -8  7  23 o 571.994 18.263 883.220   56.005  787.009   96.980  931.359   68.600  534.347 34.029 586.501 21.816 -52.15417      40.42223 
1 1 1 -8  7  25 o 339.241 17.617 312.295   31.931  337.546   56.004  300.133   38.868  348.718 30.255 331.424 22.000 17.29477       37.40776 
1 1 1 -8  7  27 o 316.782 17.980 273.822   30.410  265.126   36.973  292.007   53.465  310.203 22.382 321.544 31.416 -11.34134      38.57325 
1 1 1 -8  7  29 o 364.998 15.354 362.415   30.046  364.930   42.826  359.977   42.164  362.817 22.122 360.446 21.923 2.371277       31.14482 
1 1 1 -8  7  31 f 393.826 15.389 423.931   32.494  393.029   45.104  457.274   46.852  374.485 22.571 404.700 21.672 -30.21564      31.29090 
1 1 1 -8  7  33 o 65.146  28.283 0.1201    18.341  -17.1064  31.157  9.2547    22.688  72.845  33.719 79.188  32.765 -6.342728      47.01608 
1 1 1 -8  7  35 o 116.553 33.217 43.709    21.765  -9.6469   47.453  57.924    24.493  90.130  41.683 133.723 34.068 -43.59270      53.83365 
1 1 1 -8  7  37 o 123.654 31.353 50.678    20.815  30.735    30.337  68.417    28.613  98.090  38.843 138.516 37.576 -40.42654      54.04358 
1 1 1 -8  7  39 o 78.150  35.390 4.0108    31.890  4.0108    31.890  0.0000    0.0000  78.150  35.390 ?       ?      0.000000       35.38972 
1 1 1 -8  7  41 o 124.479 37.948 62.242    27.621  49.413    42.954  71.286    36.065  103.779 44.137 124.189 43.675 -20.41003      62.09320 
1 1 1 -8  7  43 o 103.574 42.294 59.433    37.172  65.254    74.910  57.532    42.815  94.502  46.017 99.157  43.132 -4.655907      63.07060 
1 1 1 -8  8  2  o 940.909 22.333 2382.19   112.659 2490.57   194.922 2327.82   138.052 958.683 37.924 929.166 27.713 29.51642       46.97052 
1 1 1 -8  8  4  o 550.953 17.301 815.551   51.105  782.292   88.298  832.305   62.669  537.430 30.773 556.285 21.013 -18.85486      37.26258 
1 1 1 -8  8  6  o 1133.42 25.009 3460.36   151.972 3589.11   263.136 3395.92   186.157 1149.03 42.715 1121.38 30.964 27.64624       52.75705 
1 1 1 -8  8  8  o 625.171 17.881 1050.42   59.933  1107.31   103.966 1022.11   73.346  640.330 30.284 616.258 22.199 24.07153       37.54941 
1 1 1 -8  8  10 o 140.874 21.905 54.675    16.007  54.675    16.007  0.0000    0.0000  140.874 21.905 ?       ?      0.000000       21.90548 
1 1 1 -8  8  12 o 524.320 14.665 738.453   41.224  708.382   47.600  828.697   82.459  513.329 17.296 553.271 27.889 -39.94183      32.81657 
1 1 1 -8  8  14 o 501.035 14.764 674.496   39.660  645.319   45.728  763.077   79.676  489.858 17.412 530.593 28.109 -40.73492      33.06482 
1 1 1 -8  8  16 f 717.479 16.701 1384.50   64.241  1351.70   74.104  1483.70   128.876 708.504 19.509 739.346 32.513 -30.84106      37.91648 
1 1 1 -8  8  18 o 264.937 15.132 189.349   21.405  201.357   24.477  150.323   44.128  273.041 16.802 232.033 36.693 41.00835       40.35715 
1 1 1 -8  8  20 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -8  8  22 o 488.860 15.052 643.773   39.450  563.673   54.949  728.978   56.673  456.073 22.473 519.156 20.361 -63.08371      30.32491 
1 1 1 -8  8  24 o 259.869 23.359 185.542   32.197  171.423   43.943  201.908   47.311  246.303 34.201 267.826 33.694 -21.52322      48.01038 
1 1 1 -8  8  26 o 165.608 24.416 76.957    21.028  81.612    25.019  65.754    38.811  169.338 28.575 148.554 44.916 20.78406       53.23454 
1 1 1 -8  8  28 o 183.754 19.669 93.592    19.076  99.724    27.312  87.752    26.655  186.698 28.162 174.358 29.571 12.33986       40.83603 
1 1 1 -8  8  30 o 86.306  29.778 20.028    16.728  18.317    22.218  22.267    25.417  88.925  33.776 95.832  36.191 -6.907478      49.50307 
1 1 1 -8  8  32 o 418.600 16.466 482.466   36.953  498.958   52.257  465.972   52.262  419.617 23.320 404.636 24.202 14.98096       33.60897 
1 1 1 -8  8  34 o 145.709 29.189 65.047    22.007  20.419    38.025  87.526    26.986  99.379  41.858 168.311 31.050 -68.93272      52.11702 
1 1 1 -8  8  36 o 162.857 28.168 82.829    23.704  97.487    37.007  72.631    30.868  162.976 42.068 142.622 39.170 20.35373       57.48002 
1 1 1 -8  8  38 o 80.793  35.789 8.4895    30.728  8.4895    30.728  0.0000    0.0000  80.793  35.789 ?       ?      0.000000       35.78931 
1 1 1 -8  8  40 o 196.897 30.996 131.158   31.638  83.396    58.706  150.709   37.559  120.846 51.502 205.003 35.456 -84.15684      62.52683 
1 1 1 -8  8  42 o 143.608 40.414 90.709    32.428  102.423   73.196  87.848    36.172  109.269 50.953 133.443 43.777 -24.17426      67.17649 
1 1 1 -8  8  44 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -8  9  1  o 674.756 16.212 1223.29   58.650  1234.03   82.992  1212.57   82.896  676.946 22.867 671.011 23.043 5.935364       32.46316 
1 1 1 -8  9  3  o 466.798 16.425 585.474   41.107  608.138   71.741  574.395   50.157  473.829 28.371 462.083 20.246 11.74622       34.85430 
1 1 1 -8  9  5  o 379.539 16.195 387.027   32.954  392.891   57.483  384.156   40.219  380.476 28.384 377.386 19.949 3.089691       34.69333 
1 1 1 -8  9  7  o 414.003 16.270 460.550   36.112  398.657   62.304  491.860   44.315  382.842 30.611 427.637 19.329 -44.79547      36.20243 
1 1 1 -8  9  9  o 634.630 18.318 1083.07   62.326  1068.54   76.324  1112.15   107.976 629.839 22.603 641.130 31.413 -11.29077      38.69955 
1 1 1 -8  9  11 o 368.047 16.061 364.066   31.692  362.662   38.782  366.886   54.983  366.560 19.808 367.434 28.125 -0.8739624     34.39983 
1 1 1 -8  9  13 o 582.274 17.701 911.985   55.259  892.952   67.367  951.131   96.613  575.653 21.828 591.872 30.551 -16.21869      37.54733 
1 1 1 -8  9  15 o 139.620 18.197 53.342    13.298  57.989    14.895  35.090    29.517  145.449 19.600 117.178 39.575 28.27100       44.16206 
1 1 1 -8  9  17 o 310.559 17.049 260.359   28.277  245.781   34.199  291.866   50.276  301.106 21.323 326.820 28.995 -25.71371      35.99090 
1 1 1 -8  9  19 o 561.242 32.040 861.911   96.008  861.911   96.008  0.0000    0.0000  561.242 32.040 ?       ?      0.000000       32.03992 
1 1 1 -8  9  21 o 252.494 15.405 172.474   20.754  173.812   23.691  168.057   43.041  253.132 17.565 245.076 33.645 8.055481       37.95422 
1 1 1 -8  9  23 o 147.373 23.536 60.663    17.970  59.574    21.353  63.305    33.272  144.807 28.519 147.344 40.749 -2.537964      49.73740 
1 1 1 -8  9  25 o 430.732 17.693 504.351   40.859  463.123   49.560  591.828   72.191  410.372 22.613 460.163 29.416 -49.79083      37.10309 
1 1 1 -8  9  27 o 379.767 15.705 392.216   31.976  414.625   45.139  369.644   45.303  387.335 21.826 364.903 23.278 22.43253       31.90992 
1 1 1 -8  9  29 o 195.086 19.493 105.875   20.115  92.234    28.069  120.276   28.841  177.329 30.631 204.870 26.909 -27.54042      40.77211 
1 1 1 -8  9  31 o 299.297 16.523 247.046   26.411  260.651   37.893  234.193   36.830  303.204 23.494 286.867 24.172 16.33713       33.70840 
1 1 1 -8  9  33 o 277.945 19.878 218.431   29.426  239.691   48.114  205.727   37.192  279.445 32.735 264.406 26.598 15.03909       42.17830 
1 1 1 -8  9  35 o 210.426 22.818 130.384   25.330  166.781   37.113  98.645    34.656  230.281 30.834 168.716 39.081 61.56528       49.78045 
1 1 1 -8  9  37 o 75.558  35.382 -12.3453  35.906  -12.3453  35.906  0.0000    0.0000  75.558  35.382 ?       ?      0.000000       35.38161 
1 1 1 -8  9  39 o 116.823 36.302 50.600    25.136  29.428    41.355  63.004    31.653  96.696  42.218 125.278 40.945 -28.58180      58.81209 
1 1 1 -8  9  41 o 95.677  38.801 37.854    31.022  72.889    64.107  27.141    35.450  107.012 49.111 88.447  38.840 18.56441       62.61329 
1 1 1 -8  9  43 o 93.074  42.125 55.368    45.112  0.0000    0.0000  55.368    45.112  ?       ?      93.074  42.125 0.000000       42.12476 
1 1 1 -8  10 2  o 720.381 19.187 1396.08   74.104  1457.03   128.743 1365.88   90.622  733.453 32.740 711.876 23.744 21.57635       40.44380 
1 1 1 -8  10 4  o 419.774 14.054 473.259   31.628  506.660   45.000  440.651   44.462  433.965 19.341 404.095 20.591 29.87051       28.25029 
1 1 1 -8  10 6  o 598.746 15.538 963.281   49.879  1011.01   70.636  915.807   70.444  612.739 21.502 583.046 22.536 29.69336       31.14784 
1 1 1 -8  10 8  o 528.393 21.164 751.837   59.955  719.980   84.842  783.613   84.735  514.868 30.879 537.507 29.517 -22.63922      42.71699 
1 1 1 -8  10 10 o 764.600 19.909 1573.77   81.612  1579.53   99.900  1562.21   141.508 765.200 24.351 758.514 34.797 6.685730       42.47146 
1 1 1 -8  10 12 o 791.291 24.308 1689.88   103.124 1438.22   145.425 1944.43   146.258 725.701 37.506 846.637 32.222 -120.9358      49.44616 
1 1 1 -8  10 14 o 388.054 20.383 406.925   42.257  427.207   59.041  385.624   60.507  396.262 27.970 375.898 30.280 20.36441       41.22181 
1 1 1 -8  10 16 o 357.927 13.996 344.447   26.857  345.943   30.971  339.910   53.933  358.531 16.112 352.751 28.768 5.779419       32.97266 
1 1 1 -8  10 18 o 304.629 14.750 249.797   24.090  238.314   27.761  284.813   48.475  296.784 17.525 322.305 28.341 -25.52170      33.32162 
1 1 1 -8  10 20 o 299.016 15.269 241.750   24.397  228.686   28.364  278.897   47.829  290.251 18.321 318.064 28.345 -27.81302      33.75088 
1 1 1 -8  10 22 o 158.859 21.803 69.987    18.080  69.234    21.420  71.854    33.715  156.814 26.417 156.470 40.029 0.3438721      47.95966 
1 1 1 -8  10 24 f 366.219 21.282 368.114   41.606  336.164   57.158  404.122   60.679  345.302 31.212 379.469 30.072 -34.16769      43.34193 
1 1 1 -8  10 26 o 114.849 25.662 38.053    15.403  48.902    17.092  -8.8647   35.543  130.632 25.318 85.216  38.073 45.41576       45.72303 
1 1 1 -8  10 28 f 219.386 16.978 132.457   19.814  116.115   22.584  187.087   41.291  203.926 20.955 254.005 30.961 -50.07916      37.38596 
1 1 1 -8  10 30 o 561.532 18.751 872.501   56.452  771.492   97.060  924.137   69.396  506.421 35.983 573.921 22.553 -67.50000      42.46665 
1 1 1 -8  10 32 o 231.786 19.040 151.277   23.451  184.111   34.173  122.051   32.241  251.075 25.751 200.372 31.014 50.70230       40.31114 
1 1 1 -8  10 34 o 79.051  31.399 14.483    19.880  -14.5838  31.992  32.767    25.373  72.640  33.810 101.611 36.536 -28.97117      49.77986 
1 1 1 -8  10 36 o 325.623 30.402 335.120   52.461  335.120   52.461  0.0000    0.0000  325.623 30.402 ?       ?      0.000000       30.40231 
1 1 1 -8  10 38 o 127.372 36.279 58.635    25.970  56.385    40.893  60.156    33.620  116.243 45.381 122.719 42.224 -6.475967      61.98587 
1 1 1 -8  10 40 o 120.329 40.611 62.068    31.083  76.968    55.806  55.367    37.425  115.004 49.632 109.622 43.227 5.382507       65.81752 
1 1 1 -8  10 42 o 172.281 54.221 192.345   55.875  0.0000    0.0000  192.345   55.875  ?       ?      172.281 54.221 0.000000       54.22143 
1 1 1 -8  11 1  o 512.738 17.292 707.025   47.535  651.458   82.831  734.312   58.045  489.316 31.746 522.170 20.734 -32.85406      37.91669 
1 1 1 -8  11 3  o 416.888 14.042 466.865   31.385  465.037   44.477  468.678   44.295  415.626 19.960 417.264 19.800 -1.637817      28.11502 
1 1 1 -8  11 5  o 676.152 23.151 1232.61   83.925  1232.61   83.925  0.0000    0.0000  676.152 23.151 ?       ?      0.000000       23.15122 
1 1 1 -8  11 7  f 578.249 15.358 898.678   47.611  864.545   67.241  932.998   67.424  566.366 22.144 588.469 21.371 -22.10376      30.77472 
1 1 1 -8  11 9  o 821.286 17.895 1814.92   78.797  1811.50   111.407 1818.35   111.464 818.964 25.373 820.519 25.338 -1.554749      35.85836 
1 1 1 -8  11 11 o 334.009 16.097 300.056   28.826  259.398   49.258  321.231   35.548  307.842 30.235 344.811 19.307 -36.96887      35.87400 
1 1 1 -8  11 13 o 637.982 18.557 1096.61   63.473  1107.70   77.642  1074.26   110.214 640.419 22.613 627.257 32.888 13.16241       39.91196 
1 1 1 -8  11 15 o 557.007 17.784 836.364   53.107  829.338   92.090  839.865   65.006  550.595 31.326 557.400 21.753 -6.805237      38.13817 
1 1 1 -8  11 17 f 334.747 14.381 301.793   25.809  283.450   29.707  358.263   52.123  323.644 17.182 361.613 27.082 -37.96936      32.07264 
1 1 1 -8  11 19 o 393.575 14.081 417.665   29.712  402.393   34.233  464.305   59.824  385.885 16.547 410.838 27.316 -24.95255      31.93670 
1 1 1 -8  11 21 o 189.831 25.345 100.541   25.150  107.995   37.248  94.296    34.096  192.844 37.376 180.190 36.544 12.65436       52.27297 
1 1 1 -8  11 23 o 354.634 17.189 341.816   32.682  341.816   32.682  0.0000    0.0000  354.634 17.189 ?       ?      0.000000       17.18904 
1 1 1 -8  11 25 o 258.376 18.818 183.546   25.888  183.546   25.888  0.0000    0.0000  258.376 18.818 ?       ?      0.000000       18.81751 
1 1 1 -8  11 27 o 240.277 15.686 158.104   20.096  150.241   23.021  183.278   41.192  233.214 18.566 251.381 31.238 -18.16713      36.33828 
1 1 1 -8  11 29 o 82.976  29.701 17.895    16.749  5.2435    18.382  79.788    40.657  70.366  29.334 155.620 45.715 -85.25334      54.31709 
1 1 1 -8  11 31 o 104.586 28.599 33.293    16.497  21.460    17.531  124.824   48.757  87.229  30.462 187.860 48.179 -100.6314      57.00126 
1 1 1 -8  11 33 o 107.191 32.941 36.853    20.762  49.110    30.368  26.095    28.449  119.836 40.142 96.692  37.823 23.14386       55.15388 
1 1 1 -8  11 35 o 95.909  37.122 27.458    27.183  28.248    30.549  24.455    59.567  97.956  38.919 107.469 48.544 -9.512894      62.21897 
1 1 1 -8  11 37 o 141.346 34.898 69.132    26.287  85.666    41.280  57.853    34.094  143.008 46.759 121.840 42.486 21.16858       63.17788 
1 1 1 -8  11 39 o 92.846  37.961 30.244    29.991  63.788    58.880  18.492    34.850  110.984 49.334 86.359  38.192 24.62445       62.38914 
1 1 1 -8  11 41 o 82.312  37.731 20.227    37.686  0.0000    0.0000  20.227    37.686  ?       ?      82.312  37.731 0.000000       37.73092 
1 1 1 -8  12 2  o 163.151 15.705 72.241    13.568  61.276    18.941  83.798    19.445  148.674 24.624 175.043 21.149 -26.36906      32.45952 
1 1 1 -8  12 4  f 487.902 16.868 640.501   44.123  596.524   53.971  729.128   76.618  470.322 21.404 518.224 27.677 -47.90164      34.98763 
1 1 1 -8  12 6  o 895.035 18.705 2157.56   89.756  2051.00   126.863 2264.36   127.005 870.385 27.186 914.955 25.891 -44.57013      37.54270 
1 1 1 -8  12 8  o 683.319 16.451 1256.53   60.267  1227.19   85.257  1285.82   85.204  673.918 23.597 689.959 23.034 -16.04102      32.97509 
1 1 1 -8  12 10 o 248.987 16.893 167.700   22.417  187.704   38.593  157.513   27.539  261.561 27.954 240.566 21.582 20.99442       35.31556 
1 1 1 -8  12 12 o 305.115 14.288 250.501   23.372  224.904   32.776  276.984   33.338  287.659 21.405 319.730 19.542 -32.07068      28.98433 
1 1 1 -8  12 14 o 320.638 20.022 279.113   34.246  279.113   34.246  0.0000    0.0000  320.638 20.022 ?       ?      0.000000       20.02162 
1 1 1 -8  12 16 o 133.231 29.433 50.526    20.463  54.244    29.613  47.127    28.309  137.467 38.596 128.902 38.222 8.564804       54.31956 
1 1 1 -8  12 18 o 201.191 19.546 110.879   20.817  135.403   26.417  70.700    33.813  221.796 22.528 155.387 40.261 66.40909       46.13557 
1 1 1 -8  12 20 o 104.702 25.946 31.342    14.490  36.055    16.965  18.627    27.865  112.057 28.247 97.000  37.574 15.05711       47.00690 
1 1 1 -8  12 22 o 174.751 18.915 84.204    17.439  87.928    20.179  73.219    34.659  177.886 21.602 156.163 40.908 21.72362       46.26139 
1 1 1 -8  12 24 f 293.632 21.565 238.584   33.712  238.584   33.712  0.0000    0.0000  293.632 21.565 ?       ?      0.000000       21.56523 
1 1 1 -8  12 26 o 378.099 15.449 389.717   31.317  372.745   36.191  440.303   62.482  368.531 18.317 392.060 29.952 -23.52878      35.10931 
1 1 1 -8  12 28 o 159.183 30.736 75.608    25.281  79.238    29.261  64.919    50.210  160.843 34.932 141.494 51.323 19.34964       62.08288 
1 1 1 -8  12 30 o 81.024  28.312 18.059    15.144  8.8570    16.160  84.398    43.389  70.172  28.163 154.425 47.648 -84.25285      55.34852 
1 1 1 -8  12 32 o 140.461 34.332 63.797    25.636  54.851    29.825  89.099    50.160  127.131 39.550 150.691 51.586 -23.56067      65.00224 
1 1 1 -8  12 34 o 78.874  34.623 4.3070    28.148  30.253    32.252  -78.6126  57.657  101.251 40.064 77.570  38.291 23.68137       55.41993 
1 1 1 -8  12 36 o 167.700 38.282 99.090    33.661  58.496    40.200  194.329   61.574  121.556 45.596 212.039 54.014 -90.48232      70.68556 
1 1 1 -8  12 38 o 46.193  23.242 -65.1391  26.033  11.618    47.575  -97.9430  31.102  89.788  41.599 46.192  23.480 43.59641       47.76801 
1 1 1 -8  13 1  o 454.798 20.643 558.943   50.334  0.0000    0.0000  558.943   50.334  ?       ?      454.798 20.643 0.000000       20.64302 
1 1 1 -8  13 3  o 411.726 16.419 456.682   36.244  463.185   62.497  453.387   44.489  411.664 28.492 409.709 20.254 1.954498       34.95744 
1 1 1 -8  13 5  o 466.941 16.959 587.628   42.456  552.619   73.394  605.234   52.048  449.103 30.665 473.297 20.511 -24.19373      36.89291 
1 1 1 -8  13 7  o 380.282 20.336 391.914   41.312  0.0000    0.0000  391.914   41.312  ?       ?      380.282 20.336 0.000000       20.33626 
1 1 1 -8  13 9  o 349.635 20.501 331.739   38.260  345.808   53.620  317.146   54.610  355.044 28.407 339.372 30.334 15.67206       41.55844 
1 1 1 -8  13 11 o 441.997 16.978 527.326   40.232  482.094   69.593  550.030   49.306  418.104 31.273 450.724 20.404 -32.61935      37.34036 
1 1 1 -8  13 13 o 405.188 20.632 446.348   44.672  379.681   63.731  510.738   62.633  369.742 32.479 431.329 27.224 -61.58752      42.38018 
1 1 1 -8  13 15 o 422.050 15.917 481.331   36.016  435.494   43.584  580.019   63.952  399.932 20.395 459.544 26.065 -59.61188      33.09531 
1 1 1 -8  13 17 o 215.851 17.837 127.186   20.457  148.820   33.241  113.996   25.955  230.984 27.375 202.658 24.377 28.32544       36.65558 
1 1 1 -8  13 19 f 324.301 15.129 284.704   26.305  285.818   30.496  281.467   51.992  323.911 17.627 316.207 31.070 7.704407       35.72155 
1 1 1 -8  13 21 o 101.726 24.871 29.705    13.451  17.343    15.809  62.120    25.600  82.715  28.926 145.497 33.510 -62.78120      44.26741 
1 1 1 -8  13 23 o 232.545 19.947 149.389   24.628  149.389   24.628  0.0000    0.0000  232.545 19.947 ?       ?      0.000000       19.94722 
1 1 1 -8  13 25 o 206.376 21.277 119.025   23.204  110.115   28.684  135.895   39.469  195.482 28.184 213.366 35.769 -17.88371      45.53878 
1 1 1 -8  13 27 o 132.137 31.685 52.935    22.156  52.935    22.156  0.0000    0.0000  132.137 31.685 ?       ?      0.000000       31.68493 
1 1 1 -8  13 29 o 74.425  28.888 12.072    16.497  25.892    18.982  -30.5902  33.350  94.050  31.736 69.365  32.967 24.68526       45.75994 
1 1 1 -8  13 31 o 100.131 31.268 30.921    18.622  30.921    18.622  0.0000    0.0000  100.131 31.268 ?       ?      0.000000       31.26754 
1 1 1 -8  13 33 o 212.382 33.773 143.503   37.168  155.334   56.136  134.268   49.597  199.518 51.964 189.012 48.655 10.50584       71.18676 
1 1 1 -8  13 35 o 139.441 27.066 60.503    19.505  49.974    21.406  112.009   47.343  122.991 32.115 164.698 49.565 -41.70701      59.05983 
1 1 1 -8  13 37 o 95.014  39.947 28.995    34.529  35.035    57.706  25.626    43.095  103.078 47.038 95.545  42.351 7.533920       63.29425 
1 1 1 -8  14 2  o 152.275 16.788 63.348    13.478  59.576    19.951  66.515    18.281  145.620 26.532 154.938 22.678 -9.317566      34.90322 
1 1 1 -8  14 4  o 176.732 15.357 84.854    14.406  75.656    20.371  94.057    20.375  165.219 23.674 185.155 20.891 -19.93561      31.57346 
1 1 1 -8  14 6  o 59.518  23.299 5.7861    10.801  -9.2039   18.947  13.003    13.147  60.971  27.474 74.102  26.336 -13.13040      38.05823 
1 1 1 -8  14 8  o 386.218 14.342 402.107   29.697  416.361   41.981  387.831   42.015  391.459 20.071 377.575 20.836 13.88437       28.93040 
1 1 1 -8  14 10 o 198.136 17.844 107.053   18.751  110.385   33.142  105.484   22.742  197.566 32.414 195.797 22.048 1.769424       39.20140 
1 1 1 -8  14 12 o 451.031 17.083 550.426   41.309  550.951   50.648  549.383   71.396  450.185 20.985 445.366 30.077 4.819214       36.67416 
1 1 1 -8  14 14 o 324.456 14.371 284.274   24.999  291.522   35.386  277.054   35.321  326.779 20.298 318.390 20.806 8.389343       29.06780 
1 1 1 -8  14 16 o 202.022 24.158 113.437   25.646  121.032   35.399  105.045   37.208  205.710 33.230 189.640 37.921 16.07036       50.42013 
1 1 1 -8  14 18 o 183.573 16.870 92.247    16.418  107.584   23.111  76.621    23.327  196.947 22.279 164.276 27.455 32.67134       35.35748 
1 1 1 -8  14 20 o 165.098 20.131 75.639    17.450  86.241    20.599  48.692    32.840  175.785 22.363 129.289 41.664 46.49631       47.28657 
1 1 1 -8  14 22 o 78.943  28.944 14.710    16.031  27.933    20.211  -7.7213   26.325  99.885  32.721 73.289  32.754 26.59595       46.29781 
1 1 1 -8  14 24 o 130.027 24.380 48.710    16.371  48.366    19.300  49.591    30.911  128.068 28.807 127.536 40.352 0.5317001      49.57916 
1 1 1 -8  14 26 o 164.015 23.694 77.238    20.230  90.018    24.618  50.658    35.503  175.657 27.006 127.004 43.400 48.65305       51.11586 
1 1 1 -8  14 28 o 340.610 18.987 324.397   34.534  324.397   34.534  0.0000    0.0000  340.610 18.987 ?       ?      0.000000       18.98672 
1 1 1 -8  14 30 o 224.322 26.168 147.774   30.880  147.774   30.880  0.0000    0.0000  224.322 26.168 ?       ?      0.000000       26.16849 
1 1 1 -8  14 32 o 159.872 38.676 85.767    32.789  141.073   48.153  37.950    44.773  198.437 46.136 113.045 46.319 85.39195       65.37555 
1 1 1 -8  14 34 o 182.523 24.656 100.120   23.510  101.852   27.581  95.521    44.959  180.061 29.600 153.497 48.675 26.56396       56.96826 
1 1 1 -8  14 36 o 49.781  23.675 -15.9063  17.256  -20.4435  19.195  3.2121    39.402  50.749  24.360 83.666  38.436 -32.91686      45.50518 
1 1 1 -8  15 1  o 433.279 29.764 519.585   68.722  0.0000    0.0000  519.585   68.722  ?       ?      433.279 29.764 0.000000       29.76448 
1 1 1 -8  15 3  o 530.566 21.278 765.289   60.525  885.093   86.518  650.464   84.701  566.760 28.565 483.490 32.871 83.27029       43.54849 
1 1 1 -8  15 5  f 829.575 25.618 1882.96   113.937 2089.17   161.621 1679.24   160.646 866.437 34.793 772.412 38.918 94.02478       52.20266 
1 1 1 -8  15 7  o 363.767 16.477 357.846   32.135  386.763   55.963  343.620   39.251  374.102 28.108 354.987 20.714 19.11536       34.91584 
1 1 1 -8  15 9  o 423.333 16.753 484.990   38.024  470.331   46.816  513.401   65.176  415.227 21.099 430.913 28.370 -15.68594      35.35612 
1 1 1 -8  15 11 o 369.632 16.996 370.096   33.681  383.968   41.277  342.462   58.260  375.043 20.608 349.966 31.384 25.07718       37.54539 
1 1 1 -8  15 13 o 314.921 20.985 271.593   35.228  303.598   50.281  240.738   49.370  330.102 28.696 292.304 32.028 37.79770       43.00302 
1 1 1 -8  15 15 o 63.158  25.459 5.2745    13.269  -3.8591   16.315  23.124    22.807  59.628  26.262 96.673  34.653 -37.04517      43.47991 
1 1 1 -8  15 17 o 194.699 19.874 104.565   20.454  98.016    25.021  117.759   35.513  186.692 25.678 201.697 34.054 -15.00455      42.64993 
1 1 1 -8  15 19 o 123.562 31.151 44.742    20.630  44.742    20.630  0.0000    0.0000  123.562 31.151 ?       ?      0.000000       31.15063 
1 1 1 -8  15 21 o 216.795 17.898 129.495   20.617  134.868   23.975  114.243   40.393  220.355 20.530 193.468 40.253 26.88693       45.18618 
1 1 1 -8  15 23 o 156.097 21.906 69.002    17.828  60.662    20.220  98.132    37.789  144.190 27.152 176.974 40.679 -32.78476      48.90854 
1 1 1 -8  15 25 o 126.685 27.017 47.471    17.790  56.016    21.073  26.275    33.189  136.765 29.598 104.021 40.806 32.74451       50.41031 
1 1 1 -8  15 27 o 103.833 30.407 32.551    18.012  13.046    21.255  82.237    33.924  81.228  32.403 159.588 39.787 -78.36048      51.31281 
1 1 1 -8  15 29 o 88.499  38.572 5.7878    34.384  5.7878    34.384  0.0000    0.0000  88.499  38.572 ?       ?      0.000000       38.57166 
1 1 1 -8  15 31 o 113.512 34.878 41.527    23.277  41.527    23.277  0.0000    0.0000  113.512 34.878 ?       ?      0.000000       34.87840 
1 1 1 -8  15 33 o 141.587 30.741 64.149    22.667  46.005    26.581  112.512   43.396  115.630 37.507 172.029 46.113 -56.39885      59.44032 
1 1 1 -8  15 35 o 157.732 34.468 85.979    28.333  85.979    28.333  0.0000    0.0000  157.732 34.468 ?       ?      0.000000       34.46777 
1 1 1 -8  16 2  o 434.690 14.531 510.428   33.866  563.078   48.553  460.546   47.260  455.037 19.902 410.491 21.550 44.54651       29.33389 
1 1 1 -8  16 4  o 474.230 14.710 607.611   37.399  677.785   53.533  540.707   52.271  499.213 20.002 445.249 21.897 53.96384       29.65717 
1 1 1 -8  16 6  o 462.465 21.173 582.813   52.497  547.421   75.020  616.776   73.489  442.681 31.822 471.477 29.217 -28.79523      43.20004 
1 1 1 -8  16 8  o 351.752 16.450 335.099   31.023  360.004   38.429  288.501   52.565  363.242 19.808 320.939 30.932 42.30328       36.73095 
1 1 1 -8  16 10 o 465.679 16.970 588.033   42.368  543.123   73.300  610.566   51.920  440.606 31.232 473.292 20.462 -32.68628      37.33807 
1 1 1 -8  16 12 o 276.008 16.668 207.383   24.549  222.714   42.714  199.822   29.999  281.998 28.650 269.730 20.908 12.26834       35.46766 
1 1 1 -8  16 14 o 107.686 22.550 32.962    12.602  43.550    19.447  25.298    16.545  122.553 29.870 95.079  29.437 27.47344       41.93784 
1 1 1 -8  16 16 o 73.808  24.330 14.507    11.168  -4.1046   19.546  23.528    13.608  65.188  28.726 90.957  26.370 -25.76865      38.99464 
1 1 1 -8  16 18 o 292.216 17.300 233.934   26.982  267.862   33.908  175.365   44.551  311.473 20.418 244.748 34.944 66.72534       40.47229 
1 1 1 -8  16 20 o 123.146 30.310 44.950    19.876  45.909    26.209  43.652    30.494  123.433 36.818 121.362 40.213 2.070854       54.52243 
1 1 1 -8  16 22 o 160.239 23.478 73.240    19.571  72.837    23.597  74.128    35.033  157.429 29.027 152.910 41.619 4.518845       50.74160 
1 1 1 -8  16 24 o 69.764  27.626 8.8255    15.345  9.0835    17.790  8.0755    30.331  73.454  29.525 87.704  37.186 -14.25066      47.48170 
1 1 1 -8  16 26 o 88.070  33.902 18.185    22.575  29.312    30.048  3.7658    34.205  104.402 39.368 88.325  38.484 16.07682       55.05365 
1 1 1 -8  16 28 o 224.722 21.457 143.559   25.537  149.264   30.304  129.585   47.431  226.689 25.370 194.592 46.161 32.09654       52.67327 
1 1 1 -8  16 30 o 162.319 27.588 79.487    23.149  87.083    27.155  59.290    44.280  167.430 31.406 129.263 47.978 38.16679       57.34258 
1 1 1 -8  16 32 o 140.270 35.789 66.420    27.002  48.951    33.579  98.385    45.423  117.276 42.046 156.891 48.808 -39.61534      64.42160 
1 1 1 -8  17 1  o 144.644 19.524 57.979    14.753  52.749    21.589  62.561    20.208  135.088 30.527 148.541 26.340 -13.45277      40.32014 
1 1 1 -8  17 3  o 355.574 17.079 343.123   32.559  360.659   40.163  309.504   55.609  362.943 20.726 331.486 31.676 31.45679       37.85396 
1 1 1 -8  17 5  o 108.944 29.947 34.091    18.033  89.995    28.355  -3.8789   23.369  177.356 30.946 72.097  31.600 105.2584       44.22938 
1 1 1 -8  17 7  o 292.304 17.599 232.962   27.451  248.225   34.051  204.627   46.396  300.619 21.265 268.244 32.954 32.37512       39.21928 
1 1 1 -8  17 9  o 254.033 15.133 175.419   20.517  201.759   29.904  151.997   28.200  270.918 20.746 234.320 22.734 36.59808       30.77705 
1 1 1 -8  17 11 o 407.565 14.743 450.101   32.215  493.836   45.689  406.860   45.431  424.977 20.053 384.329 22.142 40.64792       29.87291 
1 1 1 -8  17 13 f 155.137 21.286 67.249    17.238  25.120    26.009  100.252   23.020  100.757 36.878 189.338 23.160 -88.58133      43.54782 
1 1 1 -8  17 15 o 125.698 29.480 46.234    19.523  19.785    25.553  83.320    30.259  94.525  36.145 167.602 34.812 -73.07793      50.18353 
1 1 1 -8  17 17 o 72.380  26.173 12.618    13.043  25.855    21.923  5.3652    16.228  97.910  34.072 67.783  27.843 30.12699       44.00162 
1 1 1 -8  17 19 o 156.755 23.580 69.871    19.203  87.213    40.960  64.986    21.741  165.413 44.994 149.317 28.191 16.09598       53.09625 
1 1 1 -8  17 21 o 119.579 37.195 43.108    26.380  -18.3408  45.440  74.346    32.399  90.285  41.402 154.698 39.057 -64.41360      56.91753 
1 1 1 -8  17 23 o 109.832 33.967 36.037    22.035  23.443    29.526  51.871    33.106  99.700  38.661 129.111 41.857 -29.41106      56.97944 
1 1 1 -8  17 25 o 180.714 24.703 94.085    23.307  94.085    23.307  0.0000    0.0000  180.714 24.703 ?       ?      0.000000       24.70263 
1 1 1 -8  17 27 o 219.229 20.790 136.188   24.143  131.617   28.190  148.771   46.770  212.872 25.189 212.631 42.513 0.2412415      49.41467 
1 1 1 -8  17 29 o 68.607  29.481 3.1243    19.523  1.5236    22.788  7.5394    37.847  71.750  31.333 91.125  40.071 -19.37573      50.86678 
1 1 1 -8  18 2  o 334.225 21.247 307.663   37.874  355.847   54.170  261.580   52.975  355.781 28.642 302.261 33.239 53.51984       43.87700 
1 1 1 -8  18 4  o 259.911 15.673 184.049   21.738  182.286   31.550  185.643   29.993  256.226 23.219 259.118 21.793 -2.891388      31.84402 
1 1 1 -8  18 6  o 218.040 16.219 129.900   18.824  154.613   28.293  110.273   25.214  235.982 22.641 198.438 24.201 37.54437       33.14038 
1 1 1 -8  18 8  o 156.230 26.670 69.637    21.536  0.0000    0.0000  69.637    21.536  ?       ?      156.230 26.670 0.000000       26.66956 
1 1 1 -8  18 10 o 167.524 20.624 78.121    18.132  80.654    35.554  77.230    21.080  162.892 40.800 165.320 24.527 -2.428162      47.60437 
1 1 1 -8  18 12 o 308.453 22.802 264.288   37.440  318.557   62.417  233.787   46.793  330.787 35.764 285.790 31.039 44.99673       47.35474 
1 1 1 -8  18 14 o 297.337 21.927 245.387   34.707  0.0000    0.0000  245.387   34.707  ?       ?      297.337 21.927 0.000000       21.92690 
1 1 1 -8  18 16 o 287.778 16.119 226.487   24.769  247.098   37.590  210.670   32.928  297.249 23.787 274.925 22.538 22.32361       32.76849 
1 1 1 -8  18 18 o 96.074  26.925 26.776    14.425  70.142    29.762  13.461    16.491  151.924 36.906 77.576  29.183 74.34778       47.04985 
1 1 1 -8  18 20 o 116.307 25.862 39.450    15.709  31.052    25.123  44.841    20.130  105.280 36.484 122.728 30.677 -17.44782      47.66722 
1 1 1 -8  18 22 o 85.382  29.962 19.408    16.969  31.508    20.102  -10.5892  31.651  103.478 32.515 77.864  35.259 25.61476       47.96227 
1 1 1 -8  18 24 o 301.176 17.526 251.245   28.177  259.547   33.128  229.530   53.580  304.397 20.418 272.787 37.638 31.61023       42.81985 
1 1 1 -8  18 26 o 121.282 29.297 44.865    18.836  53.005    21.754  20.478    37.652  131.023 31.382 100.835 42.004 30.18877       52.43276 
1 1 1 -8  18 28 o 110.935 35.141 39.595    23.438  16.020    29.268  81.740    39.133  89.498  37.137 150.808 44.990 -61.31015      58.33739 
1 1 1 -8  19 1  o 149.524 18.821 62.010    14.753  46.087    21.948  75.134    19.926  125.198 32.437 163.448 23.407 -38.25040      40.00049 
1 1 1 -8  19 3  o 183.545 21.197 93.676    20.475  106.422   26.684  75.425    31.930  194.004 26.335 158.618 38.038 35.38577       46.26452 
1 1 1 -8  19 5  o 205.544 19.994 116.770   21.754  90.532    39.617  128.097   26.030  172.003 43.060 214.361 23.009 -42.35866      48.82172 
1 1 1 -8  19 7  o 312.323 17.627 266.828   29.395  290.160   37.504  229.661   47.333  324.089 21.710 283.390 31.697 40.69879       38.41877 
1 1 1 -8  19 9  o 238.050 16.809 155.070   21.315  173.012   32.546  141.595   28.206  248.669 24.740 225.136 23.725 23.53255       34.27801 
1 1 1 -8  19 11 o 195.310 21.482 106.161   22.123  117.120   30.147  93.373    32.564  202.564 28.552 177.628 35.437 24.93558       45.50816 
1 1 1 -8  19 13 o 139.865 22.734 55.336    16.462  60.795    28.676  52.653    20.104  142.114 37.201 134.494 28.753 7.619934       47.01777 
1 1 1 -8  19 15 o 225.424 17.705 139.776   21.226  161.584   34.020  125.875   27.161  238.629 27.070 211.430 24.409 27.19852       36.45011 
1 1 1 -8  19 17 o 126.864 28.112 47.115    18.618  25.408    33.119  57.142    22.511  105.385 40.924 138.977 31.000 -33.59201      51.33991 
1 1 1 -8  19 19 o 312.257 19.770 270.272   32.926  332.639   42.443  176.006   52.181  344.513 23.113 237.885 42.472 106.6285       48.35379 
1 1 1 -8  19 21 o 146.591 26.857 62.821    20.329  77.036    28.443  47.976    29.068  158.983 34.371 124.557 39.093 34.42625       52.05416 
1 1 1 -8  19 23 o 70.963  30.415 2.5880    20.684  17.064    26.833  -18.6095  32.471  90.670  36.325 74.017  34.318 16.65374       49.97269 
1 1 1 -8  19 25 o 85.434  31.991 18.844    19.772  22.884    23.793  9.8265    35.545  92.790  35.022 91.824  39.619 0.9663391      52.87948 
1 1 1 -8  20 2  o 193.190 17.338 102.497   17.766  101.742   26.569  103.108   23.895  189.375 26.927 191.813 23.743 -2.437790      35.89923 
1 1 1 -8  20 4  o 121.721 24.230 42.338    15.256  39.942    25.095  43.743    19.215  117.265 36.245 122.467 29.595 -5.201981      46.79274 
1 1 1 -8  20 6  f 156.511 27.801 70.289    22.474  85.817    29.184  47.665    35.227  171.315 32.971 128.456 43.234 42.85927       54.37177 
1 1 1 -8  20 8  o 328.162 22.687 298.508   39.670  298.508   39.670  0.0000    0.0000  328.162 22.687 ?       ?      0.000000       22.68711 
1 1 1 -8  20 10 o 150.862 27.859 65.587    21.703  62.985    29.059  68.871    32.637  144.727 37.236 150.561 39.821 -5.834305      54.51752 
1 1 1 -8  20 12 o 254.358 24.134 181.218   32.517  211.578   48.013  155.495   44.196  269.655 33.965 228.815 37.313 40.84001       50.45622 
1 1 1 -8  20 14 o 252.868 24.043 179.510   32.203  218.352   47.083  145.367   44.144  274.157 32.676 219.521 38.934 54.63583       50.82891 
1 1 1 -8  20 16 o 126.196 32.868 47.756    22.458  50.830    30.692  44.213    32.950  129.094 40.115 122.420 41.810 6.673218       57.94186 
1 1 1 -8  20 18 o 156.715 23.345 70.068    19.016  112.300   31.528  45.919    23.840  195.155 31.183 122.910 34.673 72.24566       46.63282 
1 1 1 -8  20 20 o 115.531 34.464 40.756    22.964  63.748    30.203  9.2559    35.353  141.973 38.645 93.335  39.877 48.63864       55.52987 
1 1 1 -8  21 1  o 97.686  30.980 27.004    18.212  16.912    28.855  33.686    23.480  94.966  37.795 108.604 35.253 -13.63828      51.68402 
1 1 1 -8  21 3  o 89.555  28.395 22.425    15.300  29.138    22.309  16.463    21.024  102.486 34.405 86.507  32.856 15.97935       47.57366 
1 1 1 -8  21 5  o 227.025 17.066 141.402   20.620  179.875   32.002  114.090   26.963  253.622 23.814 200.839 25.625 52.78354       34.98198 
1 1 1 -8  21 7  o 112.989 27.028 37.146    16.153  61.178    26.887  23.573    20.205  142.889 35.303 94.148  32.714 48.74088       48.12998 
1 1 1 -8  21 9  o 295.089 17.087 238.643   26.917  254.008   40.850  226.852   35.784  300.480 25.602 284.853 23.645 15.62656       34.85019 
1 1 1 -8  21 11 o 77.367  30.160 11.681    18.042  62.555    29.991  -17.1707  22.586  143.065 38.329 61.423  28.529 81.64194       47.78071 
1 1 1 -8  21 13 o 70.040  27.301 9.3697    14.783  35.832    28.366  -0.4968   17.321  112.135 38.773 63.734  27.578 48.40124       47.57983 
1 1 1 -8  21 15 o 84.661  30.679 18.147    17.936  30.820    33.519  13.063    21.231  109.332 41.495 82.242  32.517 27.08965       52.71855 
1 1 1 -7  0  1  o 223.608 18.480 137.237   21.806  137.237   21.806  137.237   21.806  223.608 18.480 223.608 18.480 0.000000       0.000000 
1 1 1 -7  0  3  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  5  o 405.869 19.507 446.427   42.225  446.427   42.225  446.427   42.225  405.869 19.507 405.869 19.507 0.000000       0.000000 
1 1 1 -7  0  7  o 557.846 21.280 841.944   63.435  841.944   63.435  841.944   63.435  557.846 21.280 557.846 21.280 0.000000       0.000000 
1 1 1 -7  0  9  o 286.141 26.987 226.936   40.554  226.936   40.554  226.936   40.554  286.141 26.987 286.141 26.987 0.000000       0.000000 
1 1 1 -7  0  11 o 72.414  28.764 19.507    10.778  19.507    10.778  19.507    10.778  72.414  28.764 72.414  28.764 0.000000       0.000000 
1 1 1 -7  0  13 o 68.737  28.228 17.801    10.279  17.801    10.279  17.801    10.279  68.737  28.228 68.737  28.228 0.000000       0.000000 
1 1 1 -7  0  15 o 362.163 27.933 359.366   53.494  359.366   53.494  359.366   53.494  362.163 27.933 362.163 27.933 0.000000       0.000000 
1 1 1 -7  0  17 o 269.198 19.397 197.586   27.661  197.586   27.661  197.586   27.661  269.198 19.397 269.198 19.397 0.000000       0.000000 
1 1 1 -7  0  19 o 60.104  31.818 14.008    13.751  14.008    13.751  14.008    13.751  60.104  31.818 60.104  31.818 0.000000       0.000000 
1 1 1 -7  0  21 o 427.422 29.786 498.804   67.494  498.804   67.494  498.804   67.494  427.422 29.786 427.422 29.786 0.000000       0.000000 
1 1 1 -7  0  23 o 292.127 21.758 233.135   33.642  233.135   33.642  233.135   33.642  292.127 21.758 292.127 21.758 0.000000       0.000000 
1 1 1 -7  0  25 o 767.279 24.857 1589.40   102.009 1589.40   102.009 1589.40   102.009 767.279 24.857 767.279 24.857 0.000000       0.000000 
1 1 1 -7  0  27 o 175.339 31.145 90.322    26.523  90.322    26.523  90.322    26.523  175.339 31.145 175.339 31.145 0.000000       0.000000 
1 1 1 -7  0  29 o 60.729  38.768 2.5797    28.071  2.5797    28.071  2.5797    28.071  60.729  38.768 60.729  38.768 0.000000       0.000000 
1 1 1 -7  0  31 o 66.815  42.686 3.7780    34.112  3.7780    34.112  3.7780    34.112  66.815  42.686 66.815  42.686 0.000000       0.000000 
1 1 1 -7  0  33 o 294.561 32.684 246.467   49.991  246.467   49.991  246.467   49.991  294.561 32.684 294.561 32.684 0.000000       0.000000 
1 1 1 -7  0  35 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -7  0  37 o 183.263 33.226 101.383   29.463  101.383   29.463  101.383   29.463  183.263 33.226 183.263 33.226 0.000000       0.000000 
1 1 1 -7  0  39 o 109.739 48.122 50.260    29.562  50.260    29.562  50.260    29.562  109.739 48.122 109.739 48.122 0.000000       0.000000 
1 1 1 -7  0  41 o 55.472  36.732 -2.9894   28.654  -2.9894   28.654  -2.9894   28.654  55.472  36.732 55.472  36.732 0.000000       0.000000 
1 1 1 -7  0  43 o 132.915 54.337 74.709    38.140  74.709    38.140  74.709    38.140  132.915 54.337 132.915 54.337 0.000000       0.000000 
1 1 1 -7  0  45 o 79.214  49.916 21.076    44.822  21.076    44.822  21.076    44.822  79.214  49.916 79.214  49.916 0.000000       0.000000 
1 1 1 -7  0  47 o 56.047  39.533 -37.1912  47.384  -37.1912  47.384  -37.1912  47.384  56.047  39.533 56.047  39.533 0.000000       0.000000 
1 1 1 -7  1  2  o 193.101 14.387 100.937   14.787  100.937   14.787  0.0000    0.0000  193.101 14.387 ?       ?      0.000000       14.38673 
1 1 1 -7  1  4  o 142.914 26.729 57.300    19.727  57.300    19.727  0.0000    0.0000  142.914 26.729 ?       ?      0.000000       26.72928 
1 1 1 -7  1  6  o 534.046 14.693 768.062   42.069  786.356   59.514  749.792   59.475  539.177 20.588 526.380 21.075 12.79785       29.46228 
1 1 1 -7  1  8  f 604.752 17.809 987.041   57.741  1008.46   70.738  944.278   99.955  610.304 21.619 586.338 31.917 23.96594       38.54982 
1 1 1 -7  1  10 o 394.534 15.570 419.327   32.935  381.782   56.740  438.404   40.446  373.254 28.571 402.968 18.721 -29.71323      34.15787 
1 1 1 -7  1  12 o 191.738 13.124 99.302    13.410  100.029   18.731  98.537    19.206  191.740 18.449 190.193 19.093 1.547150       26.55006 
1 1 1 -7  1  14 o 212.746 13.589 122.125   15.418  132.173   21.946  112.332   21.666  220.743 18.720 203.162 20.157 17.58051       27.50918 
1 1 1 -7  1  16 o 1137.29 30.903 3501.45   188.425 3395.67   266.482 3607.22   266.463 1114.10 44.614 1148.97 43.257 -34.87354      62.14183 
1 1 1 -7  1  18 o 434.530 16.376 507.424   38.150  504.799   46.828  512.605   65.788  433.125 20.166 434.749 28.381 -1.623962      34.81581 
1 1 1 -7  1  20 o 408.639 16.423 448.852   35.979  454.645   62.741  446.014   43.918  409.130 28.787 407.067 20.124 2.062744       35.12333 
1 1 1 -7  1  22 o 191.316 16.055 99.123    16.315  94.347    23.481  103.580   22.686  185.388 24.202 194.740 22.121 -9.352356      32.78822 
1 1 1 -7  1  24 f 221.987 15.848 133.285   18.738  147.662   27.035  119.993   25.994  232.819 21.917 209.376 23.566 23.44376       32.18256 
1 1 1 -7  1  26 o 753.073 24.568 1537.95   99.192  1456.47   140.257 1619.49   140.301 728.094 35.931 768.718 34.043 -40.62390      49.49668 
1 1 1 -7  1  28 o 92.504  28.993 23.289    15.994  28.818    22.928  18.048    22.322  104.510 34.881 91.348  34.033 13.16269       48.73303 
1 1 1 -7  1  30 o 459.666 18.269 574.650   45.021  519.434   78.643  601.568   54.909  428.003 34.567 468.865 21.844 -40.86145      40.89039 
1 1 1 -7  1  32 o 175.085 21.758 85.978    19.983  96.974    28.226  74.929    28.295  182.809 29.828 158.365 34.317 24.44398       45.46854 
1 1 1 -7  1  34 o 102.442 35.197 30.383    23.358  30.383    23.358  0.0000    0.0000  102.442 35.197 ?       ?      0.000000       35.19727 
1 1 1 -7  1  36 f 116.378 30.758 42.171    19.481  43.546    32.082  41.368    24.519  116.198 41.157 113.799 35.930 2.398369       54.63435 
1 1 1 -7  1  38 o 129.374 29.420 53.320    19.945  50.199    29.738  55.872    26.890  118.743 39.724 126.784 37.159 -8.041023      54.39539 
1 1 1 -7  1  40 o 112.018 41.416 52.081    32.932  30.843    46.608  73.257    46.539  97.172  43.494 121.725 48.139 -24.55248      64.87736 
1 1 1 -7  1  42 o 148.805 32.837 80.788    25.495  84.374    35.019  76.743    37.189  135.607 42.953 125.119 44.313 10.48787       61.71382 
1 1 1 -7  1  44 o 85.372  37.398 30.738    32.689  42.121    39.391  5.5595    58.583  91.205  40.455 80.513  39.518 10.69193       56.55355 
1 1 1 -7  1  46 o 128.380 43.658 105.170   35.925  172.355   51.482  41.402    50.156  139.440 51.737 79.066  38.304 60.37448       64.37306 
1 1 1 -7  2  1  o 358.802 14.844 346.718   28.554  334.503   34.944  371.264   49.535  351.476 18.610 368.849 25.200 -17.37265      31.32713 
1 1 1 -7  2  3  o 373.047 19.148 376.906   38.168  376.906   38.168  0.0000    0.0000  373.047 19.148 ?       ?      0.000000       19.14832 
1 1 1 -7  2  5  o 243.380 13.849 159.942   17.996  159.942   17.996  0.0000    0.0000  243.380 13.849 ?       ?      0.000000       13.84922 
1 1 1 -7  2  7  o 400.260 19.356 432.856   41.536  432.144   58.680  433.572   58.800  397.382 27.717 398.038 27.727 -0.6558838     39.20464 
1 1 1 -7  2  9  o 192.031 13.062 99.649    13.368  102.199   18.980  97.138    18.833  193.719 18.499 188.759 18.862 4.959747       26.41951 
1 1 1 -7  2  11 o 238.852 13.110 153.853   16.724  151.046   23.660  156.655   23.643  235.896 18.866 240.321 18.492 -4.424866      26.41737 
1 1 1 -7  2  13 o 269.550 13.314 195.265   19.240  190.436   27.338  200.005   27.083  265.125 19.367 271.832 18.697 -6.707855      26.91941 
1 1 1 -7  2  15 o 386.197 19.564 402.501   40.375  355.717   56.797  450.294   57.407  361.384 29.574 407.468 26.421 -46.08337      39.65687 
1 1 1 -7  2  17 o 778.589 17.329 1629.57   72.337  1608.39   102.276 1650.77   102.325 772.401 24.698 782.567 24.389 -10.16626      34.71003 
1 1 1 -7  2  19 o 248.133 14.172 165.902   18.775  163.138   26.550  168.667   26.552  245.372 20.367 249.568 20.013 -4.195953      28.55373 
1 1 1 -7  2  21 o 366.716 16.451 361.620   32.344  331.902   39.446  422.597   56.504  350.349 21.099 394.517 26.874 -44.16821      34.16729 
1 1 1 -7  2  23 o 360.348 14.471 349.132   27.957  355.422   39.768  342.985   39.311  362.457 20.549 356.016 20.685 6.440918       29.15704 
1 1 1 -7  2  25 o 106.847 27.103 32.184    15.550  32.321    20.193  31.986    24.373  108.157 32.330 109.895 35.929 -1.737221      48.33361 
1 1 1 -7  2  27 o 252.398 16.058 172.458   21.617  193.108   30.673  152.082   30.470  266.117 21.687 235.358 24.507 30.75899       32.72473 
1 1 1 -7  2  29 o 219.334 20.072 131.836   23.342  121.559   40.590  136.913   28.531  204.813 38.376 222.447 24.319 -17.63428      45.43253 
1 1 1 -7  2  31 o 597.586 18.756 976.409   60.093  966.893   73.470  995.642   104.449 591.632 23.163 590.563 33.123 1.069397       40.41798 
1 1 1 -7  2  33 o 175.110 20.535 86.092    18.913  95.020    27.782  78.382    25.820  179.873 29.856 162.605 30.744 17.26810       42.85475 
1 1 1 -7  2  35 o 98.183  31.600 28.854    18.895  58.193    24.474  -14.4360  29.729  136.387 33.673 72.037  33.202 64.34957       47.28842 
1 1 1 -7  2  37 f 136.485 27.790 57.271    19.644  91.559    28.586  26.590    27.040  169.791 32.587 96.406  37.106 73.38520       49.38371 
1 1 1 -7  2  39 o 78.712  32.325 14.934    21.869  24.884    41.021  10.983    25.849  95.884  41.951 78.574  33.845 17.31052       53.90108 
1 1 1 -7  2  41 o 52.538  25.618 -28.4926  23.441  -36.9645  27.612  -6.6355   44.351  54.893  26.981 78.833  37.620 -23.94020      46.29522 
1 1 1 -7  2  43 o 55.630  27.118 -26.1245  26.213  -43.7823  31.929  10.390    45.914  56.285  27.912 81.661  38.773 -25.37635      47.77477 
1 1 1 -7  2  45 o 115.278 42.682 79.803    35.002  68.242    53.500  88.456    46.282  92.477  43.268 106.198 45.506 -13.72069      62.79201 
1 1 1 -7  2  47 o 115.107 46.485 133.520   44.324  133.974   82.836  133.338   52.467  79.671  40.255 99.282  45.130 -19.61054      60.47460 
1 1 1 -7  3  2  o 325.165 12.842 284.397   22.388  302.159   31.698  266.718   31.625  334.187 17.755 313.722 18.890 20.46469       25.92480 
1 1 1 -7  3  4  o 350.538 19.053 332.813   35.673  341.005   50.331  324.543   50.568  353.092 26.787 344.194 27.636 8.898651       38.48774 
1 1 1 -7  3  6  o 423.208 15.979 482.604   36.256  469.684   44.406  508.437   62.792  416.919 19.866 431.442 27.287 -14.52286      33.75253 
1 1 1 -7  3  8  o 682.760 23.031 1262.22   84.306  1250.01   119.241 1274.44   119.212 675.943 32.904 682.654 32.572 -6.711609      46.29906 
1 1 1 -7  3  10 o 312.824 26.909 267.388   44.690  0.0000    0.0000  267.388   44.690  ?       ?      312.824 26.909 0.000000       26.90859 
1 1 1 -7  3  12 o 182.169 13.584 89.679    13.171  82.650    18.578  96.783    18.676  173.930 20.305 188.637 18.714 -14.70685      27.61361 
1 1 1 -7  3  14 o 292.199 15.647 230.134   24.423  198.098   42.133  246.344   29.971  268.970 29.714 302.013 18.601 -33.04355      35.05595 
1 1 1 -7  3  16 o 252.477 13.630 171.667   18.382  163.580   25.663  180.188   26.342  245.814 19.637 258.123 19.172 -12.30852      27.44394 
1 1 1 -7  3  18 o 420.297 14.125 474.404   31.829  476.951   44.829  471.814   45.199  421.047 19.859 418.753 20.133 2.294586       28.27915 
1 1 1 -7  3  20 o 286.173 20.694 221.674   31.536  258.685   44.209  183.330   44.998  308.288 27.020 257.923 33.320 50.36450       42.89918 
1 1 1 -7  3  22 o 461.801 14.695 573.322   36.383  558.578   51.535  587.972   51.372  455.130 21.120 467.029 20.517 -11.89935      29.44485 
1 1 1 -7  3  24 o 153.812 19.271 64.782    15.542  58.051    22.483  70.944    21.510  143.486 30.183 159.818 25.998 -16.33197      39.83559 
1 1 1 -7  3  26 o 286.859 17.561 222.789   26.878  213.828   45.168  227.702   33.445  278.153 30.805 289.268 21.724 -11.11572      37.69488 
1 1 1 -7  3  28 o 347.450 18.527 327.797   34.388  303.426   60.370  339.502   41.839  328.982 34.754 352.637 22.244 -23.65457      41.26278 
1 1 1 -7  3  30 o 186.698 30.139 99.622    29.140  150.128   42.334  54.141    40.172  227.472 35.904 137.163 46.169 90.30927       58.48639 
1 1 1 -7  3  32 f 360.795 16.015 355.418   30.978  337.677   45.139  371.213   42.592  346.765 24.436 365.292 21.848 -18.52670      32.77910 
1 1 1 -7  3  34 o 131.991 30.883 52.900    21.466  36.157    28.153  76.149    33.176  110.335 38.600 153.889 39.884 -43.55354      55.50357 
1 1 1 -7  3  36 o 209.572 24.089 128.090   26.574  115.312   47.590  133.879   32.032  177.488 48.591 210.537 29.162 -33.04907      56.66983 
1 1 1 -7  3  38 o 90.319  36.185 22.596    26.626  29.375    43.853  18.637    33.510  102.576 44.133 91.189  38.888 11.38755       58.82211 
1 1 1 -7  3  40 o 257.429 24.568 206.833   33.497  214.889   57.258  202.642   41.301  219.505 49.797 242.698 32.563 -23.19337      59.49894 
1 1 1 -7  3  42 o 65.684  30.829 -7.0931   27.532  -6.4166   34.360  -8.3066   46.017  71.543  33.844 77.813  37.445 -6.269791      50.47331 
1 1 1 -7  3  44 o 140.245 44.237 103.316   37.173  82.897    44.586  149.870   67.322  111.502 46.016 121.762 53.495 -10.26042      70.56384 
1 1 1 -7  3  46 o 64.592  31.793 -5.5458   38.795  -17.3448  68.061  0.1329    47.217  69.272  35.163 68.259  33.866 1.013252       48.81951 
1 1 1 -7  4  1  o 424.121 13.280 483.742   30.196  485.136   42.756  482.355   42.650  424.049 18.807 422.831 18.814 1.218170       26.60191 
1 1 1 -7  4  3  o 151.838 13.035 62.448    10.509  70.985    15.003  54.226    14.723  161.323 17.634 140.305 20.152 21.01794       26.77768 
1 1 1 -7  4  5  o 439.852 16.070 521.040   37.895  516.216   46.414  530.686   65.632  437.287 19.797 441.007 27.903 -3.720428      34.21252 
1 1 1 -7  4  7  o 525.792 16.906 744.658   47.658  744.658   47.658  0.0000    0.0000  525.792 16.906 ?       ?      0.000000       16.90632 
1 1 1 -7  4  9  o 260.700 15.276 183.443   21.258  201.614   26.217  148.566   36.321  273.002 18.014 232.045 29.890 40.95634       34.89852 
1 1 1 -7  4  11 o 646.627 15.040 1124.02   52.139  1080.15   73.635  1168.12   73.835  632.919 21.700 658.326 20.920 -25.40686      30.14189 
1 1 1 -7  4  13 o 362.190 15.865 352.543   30.806  331.859   53.381  362.871   37.721  349.245 28.765 366.740 19.252 -17.49496      34.61306 
1 1 1 -7  4  15 o 443.640 16.341 528.844   38.867  513.673   47.516  559.519   67.564  436.951 20.283 454.466 27.864 -17.51520      34.46448 
1 1 1 -7  4  17 o 196.876 14.486 104.658   15.183  94.099    21.339  115.483   21.607  185.701 21.852 206.261 19.782 -20.56055      29.47577 
1 1 1 -7  4  19 o 505.095 21.265 687.049   57.584  744.859   80.862  627.567   82.024  524.122 28.888 480.302 32.037 43.82013       43.13816 
1 1 1 -7  4  21 o 509.394 14.963 697.536   40.864  663.507   57.633  731.937   57.948  496.051 21.671 521.132 20.740 -25.08063      29.99651 
1 1 1 -7  4  23 o 482.941 14.992 627.360   38.817  568.352   54.829  686.655   54.962  458.718 22.294 504.526 20.319 -45.80811      30.16454 
1 1 1 -7  4  25 o 245.614 18.455 163.647   24.125  139.922   41.450  175.800   29.667  223.198 35.853 254.012 22.002 -30.81384      42.06544 
1 1 1 -7  4  27 o 66.814  27.906 2.6527    16.682  21.608    21.335  -27.1664  26.759  94.488  33.553 64.547  30.327 29.94102       45.22735 
1 1 1 -7  4  29 o 180.457 30.866 92.998    28.789  76.282    41.264  108.851   40.185  159.456 45.831 191.984 40.324 -32.52827      61.04533 
1 1 1 -7  4  31 o 177.401 24.868 89.173    23.002  90.433    28.016  86.567    40.291  176.293 30.760 166.470 44.348 9.823273       53.97120 
1 1 1 -7  4  33 o 75.685  30.202 10.301    18.471  -9.2629   25.957  30.371    26.290  70.711  31.983 104.194 37.220 -33.48309      49.07370 
1 1 1 -7  4  35 o 177.280 22.980 90.713    21.327  89.898    31.323  91.417    29.120  168.480 35.783 172.041 32.767 -3.561142      48.51893 
1 1 1 -7  4  37 o 54.659  25.361 -11.0384  17.777  36.791    39.784  -22.9711  19.872  108.650 43.983 51.788  24.840 56.86147       50.51221 
1 1 1 -7  4  39 o 63.870  30.418 -19.7705  28.691  109.153   62.129  -54.7184  32.347  138.578 55.361 56.701  28.114 81.87767       62.09017 
1 1 1 -7  4  41 o 103.171 40.354 44.946    32.382  66.901    42.301  13.870    50.327  115.627 45.842 88.476  41.576 27.15064       61.88771 
1 1 1 -7  4  43 o 153.858 36.702 95.357    29.852  119.161   42.837  72.885    41.622  149.605 47.520 112.937 45.243 36.66737       65.61292 
1 1 1 -7  4  45 o 100.781 41.918 67.655    37.417  95.480    68.928  56.030    44.552  92.813  44.949 89.689  41.080 3.123940       60.89286 
1 1 1 -7  5  2  o 243.277 14.729 159.730   19.120  144.243   23.450  190.451   33.027  230.572 19.143 264.460 23.540 -33.88795      30.34076 
1 1 1 -7  5  4  o 452.813 16.036 551.678   38.930  592.376   47.729  470.785   67.290  468.871 18.987 415.242 30.438 53.62897       35.87453 
1 1 1 -7  5  6  o 618.345 15.322 1028.24   50.794  1081.00   71.899  975.669   71.769  633.089 21.183 601.264 22.264 31.82483       30.73108 
1 1 1 -7  5  8  o 760.751 19.031 1558.39   77.620  1686.86   95.272  1304.76   133.861 790.791 22.472 691.138 36.252 99.65283       42.65223 
1 1 1 -7  5  10 o 881.616 21.165 2093.49   100.038 2188.51   122.578 1903.99   173.111 900.460 25.391 836.148 38.616 64.31274       46.21594 
1 1 1 -7  5  12 o 369.618 15.672 367.045   31.057  408.156   38.207  286.969   53.323  389.611 18.291 324.321 31.046 65.29050       36.03354 
1 1 1 -7  5  14 o 407.704 16.149 446.563   35.298  428.210   42.869  485.207   62.204  398.492 20.131 423.211 27.566 -24.71939      34.13374 
1 1 1 -7  5  16 o 209.056 16.465 118.154   18.305  124.326   22.456  105.934   31.601  214.092 19.788 195.609 31.180 18.48271       36.92931 
1 1 1 -7  5  18 o 412.818 20.143 458.675   44.581  451.268   62.652  466.272   63.451  407.617 28.856 414.393 28.737 -6.776703      40.72431 
1 1 1 -7  5  20 o 222.594 14.918 133.772   17.700  148.445   25.234  119.560   24.833  233.869 20.327 209.372 22.475 24.49707       30.30360 
1 1 1 -7  5  22 o 674.210 16.435 1223.30   59.407  1211.09   83.959  1235.54   84.070  669.495 23.391 676.266 23.187 -6.770813      32.93607 
1 1 1 -7  5  24 o 83.401  30.869 14.890    18.305  34.717    25.845  -5.0674   25.929  114.020 36.984 76.327  33.374 37.69385       49.81668 
1 1 1 -7  5  26 o 385.808 17.575 401.952   36.352  294.779   62.246  457.424   44.782  324.690 36.383 411.064 20.320 -86.37375      41.67326 
1 1 1 -7  5  28 o 216.953 20.919 129.359   24.030  112.664   42.331  137.297   29.189  195.533 41.656 222.465 24.900 -26.93237      48.53075 
1 1 1 -7  5  30 o 337.386 18.928 312.332   34.100  305.262   41.034  328.113   61.304  331.617 23.227 337.198 34.392 -5.580750      41.50047 
1 1 1 -7  5  32 o 159.384 25.105 72.993    20.743  76.149    26.544  68.044    33.243  159.726 32.110 147.131 40.747 12.59540       51.87834 
1 1 1 -7  5  34 o 49.346  23.011 -12.1656  14.930  -27.0332  28.115  -6.3269   17.619  64.101  30.408 58.737  26.478 5.363716       40.32051 
1 1 1 -7  5  36 o 121.454 30.427 46.373    19.771  11.383    39.881  57.774    22.765  94.333  41.315 134.932 31.961 -40.59928      52.23486 
1 1 1 -7  5  38 o 68.178  28.418 8.0418    17.250  18.469    28.309  1.8843    21.755  86.711  36.297 68.334  30.199 18.37766       47.21718 
1 1 1 -7  5  40 o 98.347  33.238 34.786    20.822  -1.2258   36.920  51.583    25.214  77.814  36.253 116.224 36.399 -38.41035      51.37237 
1 1 1 -7  5  42 o 209.438 29.388 150.345   32.090  251.213   49.542  77.437    42.120  255.458 37.271 120.178 46.295 135.2798       59.43338 
1 1 1 -7  5  44 f 88.269  37.154 36.731    29.925  -57.8479  90.707  48.283    31.700  76.541  39.019 96.252  39.153 -19.71090      55.27588 
1 1 1 -7  5  46 o 93.337  40.010 67.214    35.804  0.0000    0.0000  67.214    35.804  ?       ?      93.337  40.010 0.000000       40.01041 
1 1 1 -7  6  1  o 1377.19 24.203 5115.51   178.701 4821.29   252.675 5409.96   252.768 1332.38 35.372 1412.38 33.381 -80.00000      48.63647 
1 1 1 -7  6  3  o 1488.31 36.966 6025.11   294.964 6025.11   294.964 0.0000    0.0000  1488.31 36.966 ?       ?      0.000000       36.96606 
1 1 1 -7  6  5  o 1091.65 23.857 3213.44   139.628 3324.75   171.076 2991.34   241.653 1108.92 28.775 1046.32 43.078 62.59387       51.80458 
1 1 1 -7  6  7  o 655.359 21.776 1156.55   76.513  1325.77   108.523 989.293   107.892 700.464 28.898 603.367 33.484 97.09723       44.22994 
1 1 1 -7  6  9  o 450.066 16.227 544.236   39.156  565.582   48.011  501.837   67.665  458.573 19.528 430.055 29.526 28.51767       35.39962 
1 1 1 -7  6  11 o 240.880 15.748 156.516   20.226  156.516   20.226  0.0000    0.0000  240.880 15.748 ?       ?      0.000000       15.74835 
1 1 1 -7  6  13 f 310.698 19.349 260.542   32.071  260.542   32.071  0.0000    0.0000  310.698 19.349 ?       ?      0.000000       19.34896 
1 1 1 -7  6  15 o 149.088 16.299 60.426    12.816  55.877    14.537  76.300    27.155  142.839 19.491 165.278 31.800 -22.43929      37.29792 
1 1 1 -7  6  17 o 492.987 20.878 654.309   55.181  641.916   77.524  667.036   78.563  486.310 29.878 495.806 29.692 -9.495819      42.12291 
1 1 1 -7  6  19 o 518.036 14.932 721.281   41.472  692.342   58.481  750.558   58.821  506.819 21.522 527.794 20.787 -20.97476      29.92192 
1 1 1 -7  6  21 o 195.597 15.840 103.587   16.468  98.955    23.025  108.437   23.563  190.060 23.069 199.186 22.457 -9.126358      32.19468 
1 1 1 -7  6  23 o 329.940 16.935 293.990   29.856  280.866   36.606  320.066   51.600  321.764 21.341 342.092 28.391 -20.32837      35.51745 
1 1 1 -7  6  25 o 239.756 22.852 157.269   29.019  161.202   40.219  152.997   41.912  240.505 31.984 233.476 34.525 7.029205       47.06319 
1 1 1 -7  6  27 o 310.445 18.258 262.208   30.254  265.703   53.152  260.534   36.797  307.629 32.730 308.306 22.415 -0.6773071     39.66956 
1 1 1 -7  6  29 o 198.678 22.107 109.763   23.148  113.700   29.734  103.705   36.882  199.952 28.547 186.837 38.111 13.11421       47.61729 
1 1 1 -7  6  31 o 321.312 23.261 289.117   39.799  289.117   39.799  0.0000    0.0000  321.312 23.261 ?       ?      0.000000       23.26076 
1 1 1 -7  6  33 o 111.514 28.855 37.367    17.383  63.532    24.694  11.663    24.475  144.130 32.706 83.735  34.271 60.39529       47.37268 
1 1 1 -7  6  35 o 102.312 30.651 32.304    18.135  66.355    25.979  -0.0571   25.327  144.379 34.105 74.152  32.687 70.22696       47.23997 
1 1 1 -7  6  37 f 136.421 28.656 58.901    20.292  12.406    30.072  97.772    27.496  84.813  36.518 175.238 30.367 -90.42446      47.49453 
1 1 1 -7  6  39 o 151.064 29.330 75.253    22.898  56.449    35.245  88.987    30.121  116.151 42.865 156.456 36.566 -40.30509      56.34259 
1 1 1 -7  6  41 o 97.758  40.000 38.267    33.332  92.174    42.299  -50.0455  54.140  136.062 47.330 73.583  36.465 62.47868       59.74762 
1 1 1 -7  6  43 o 129.154 37.034 70.786    26.972  137.016   47.769  39.788    32.680  151.762 50.333 92.876  38.945 58.88620       63.64107 
1 1 1 -7  6  45 o 162.277 48.309 168.261   45.154  0.0000    0.0000  168.261   45.154  ?       ?      162.277 48.309 0.000000       48.30858 
1 1 1 -7  7  2  o 1252.95 26.610 4232.26   178.753 4206.76   218.879 4283.33   309.745 1247.37 32.729 1253.43 46.093 -6.061279      56.53108 
1 1 1 -7  7  4  o 925.338 18.390 2301.51   91.233  2220.15   129.029 2382.85   129.016 907.518 26.519 940.364 25.590 -32.84631      36.85300 
1 1 1 -7  7  6  f 945.473 22.001 2405.27   111.522 2608.40   193.342 2303.99   136.522 981.316 36.749 924.374 27.548 56.94159       45.92782 
1 1 1 -7  7  8  o 296.554 13.216 236.060   21.012  257.850   29.993  215.056   29.446  309.227 18.171 282.158 19.587 27.06912       26.71759 
1 1 1 -7  7  10 o 191.391 14.123 98.876    14.390  115.429   20.088  81.431    20.622  206.438 18.341 172.461 22.868 33.97755       29.31417 
1 1 1 -7  7  12 o 606.063 17.839 987.084   57.963  987.084   57.963  0.0000    0.0000  606.063 17.839 ?       ?      0.000000       17.83864 
1 1 1 -7  7  14 o 484.369 16.907 630.471   43.905  625.683   53.879  639.934   75.747  482.218 20.840 485.947 29.210 -3.728699      35.88210 
1 1 1 -7  7  16 o 116.798 28.302 38.330    17.537  38.544    25.456  38.137    24.194  119.004 36.459 117.958 35.417 1.045998       50.82949 
1 1 1 -7  7  18 o 315.434 14.208 267.356   24.028  257.174   27.550  299.721   49.117  308.783 16.704 331.725 27.876 -22.94205      32.49722 
1 1 1 -7  7  20 o 362.477 16.843 353.580   32.731  298.029   56.224  382.057   40.255  329.588 32.231 375.963 20.044 -46.37466      37.95502 
1 1 1 -7  7  22 o 482.761 17.326 627.843   44.844  626.562   55.068  630.363   77.264  481.658 21.325 480.433 30.149 1.225037       36.92894 
1 1 1 -7  7  24 o 115.535 27.787 37.821    17.001  27.627    30.958  42.223    20.344  109.810 40.228 121.904 31.044 -12.09454      50.81335 
1 1 1 -7  7  26 o 365.801 17.521 362.370   34.363  371.203   58.374  357.685   42.508  365.538 30.052 361.733 22.023 3.805237       37.25805 
1 1 1 -7  7  28 o 72.391  26.501 12.012    13.431  18.609    20.057  6.6491    18.085  88.528  32.388 72.577  29.553 15.95084       43.84476 
1 1 1 -7  7  30 o 211.074 28.010 127.674   30.915  127.674   30.915  0.0000    0.0000  211.074 28.010 ?       ?      0.000000       28.01036 
1 1 1 -7  7  32 f 345.498 16.364 327.820   30.312  325.367   43.550  330.125   42.217  338.767 24.136 341.973 23.163 -3.206421      33.45242 
1 1 1 -7  7  34 o 60.403  26.394 -0.8339   16.193  27.357    28.765  -13.9118  19.592  100.324 38.353 56.949  26.491 43.37502       46.61214 
1 1 1 -7  7  36 o 174.874 30.891 96.589    27.903  83.577    54.143  101.294   32.559  140.144 52.846 174.580 35.983 -34.43542      63.93322 
1 1 1 -7  7  38 o 217.498 23.396 143.368   26.852  114.183   37.788  173.140   38.165  173.852 41.176 228.461 32.040 -54.60883      52.17300 
1 1 1 -7  7  40 o 132.763 41.444 73.043    32.718  67.335    37.942  89.596    64.613  122.045 44.561 121.580 52.936 0.4644699      69.19465 
1 1 1 -7  7  42 o 71.459  32.470 5.7786    27.128  17.004    40.305  -3.5180   36.679  83.475  38.538 73.420  34.800 10.05512       51.92554 
1 1 1 -7  7  44 o 90.303  41.180 52.308    44.133  141.510   96.914  28.970    49.572  95.254  47.465 81.222  39.030 14.03197       61.45163 
1 1 1 -7  8  1  o 316.663 13.404 269.147   22.757  277.834   32.195  260.474   32.170  320.989 18.790 310.701 19.410 10.28876       27.01494 
1 1 1 -7  8  3  o 536.985 14.515 774.128   41.789  789.145   59.174  759.187   59.024  541.778 20.372 531.368 20.719 10.40961       29.05650 
1 1 1 -7  8  5  o 407.943 16.161 446.935   35.346  456.138   61.069  442.299   43.343  410.434 27.919 405.626 19.931 4.808350       34.30298 
1 1 1 -7  8  7  o 447.884 13.930 538.494   33.450  527.463   47.254  549.573   47.357  442.951 19.898 452.162 19.535 -9.211426      27.88481 
1 1 1 -7  8  9  o 388.174 16.093 404.702   33.491  435.011   57.872  389.440   41.067  400.835 27.089 380.037 20.228 20.79871       33.80803 
1 1 1 -7  8  11 o 863.050 25.933 2007.61   119.994 1987.27   169.435 2028.07   169.959 856.284 36.908 865.098 36.645 -8.813843      52.00945 
1 1 1 -7  8  13 o 806.632 20.471 1750.85   88.527  1717.34   108.441 1817.80   153.282 798.066 25.345 818.937 34.912 -20.87030      43.14125 
1 1 1 -7  8  15 o 211.941 17.439 121.602   19.640  142.279   23.848  78.022    34.622  229.098 19.605 166.007 39.477 63.09094       44.07725 
1 1 1 -7  8  17 o 1036.42 23.557 2898.43   130.896 2947.65   160.290 2799.89   226.791 1043.56 28.650 1011.57 41.818 31.98706       50.69040 
1 1 1 -7  8  19 o 1089.58 24.370 3208.14   142.358 3083.21   174.203 3459.29   246.997 1065.75 30.488 1123.21 41.017 -57.46606      51.10656 
1 1 1 -7  8  21 o 161.442 21.924 71.682    18.485  67.867    21.883  81.184    34.541  155.990 27.152 168.674 38.978 -12.68390      47.50291 
1 1 1 -7  8  23 o 380.819 17.614 391.450   35.962  370.928   61.924  401.893   44.174  366.577 31.824 384.636 21.507 -18.05899      38.41009 
1 1 1 -7  8  25 o 272.313 18.349 201.892   26.632  155.838   45.633  225.681   32.797  233.059 37.817 287.192 21.455 -54.13315      43.47931 
1 1 1 -7  8  27 o 123.238 24.831 43.318    15.839  48.340    23.065  38.835    21.789  128.516 33.230 115.766 33.313 12.75028       47.05296 
1 1 1 -7  8  29 o 187.740 28.014 101.136   27.334  101.136   27.334  0.0000    0.0000  187.740 28.014 ?       ?      0.000000       28.01366 
1 1 1 -7  8  31 o 198.617 19.602 110.176   20.601  130.162   29.611  91.426    28.680  212.682 26.547 175.208 31.699 37.47420       41.34669 
1 1 1 -7  8  33 o 159.483 23.154 73.441    19.219  71.552    27.813  75.166    26.587  150.928 35.045 156.147 32.802 -5.219086      48.00119 
1 1 1 -7  8  35 o 81.392  32.230 15.585    20.886  25.965    41.894  12.151    24.094  103.253 43.737 81.121  33.681 22.13166       55.20241 
1 1 1 -7  8  37 o 116.794 33.897 46.971    22.473  57.930    37.561  40.861    28.047  120.670 44.295 107.073 38.423 13.59747       58.63755 
1 1 1 -7  8  39 o 194.139 30.682 125.005   30.873  187.602   65.818  107.347   34.958  185.195 58.911 169.151 39.298 16.04419       70.81590 
1 1 1 -7  8  41 o 109.754 38.728 50.518    28.381  4.5638    48.649  74.228    34.944  83.974  39.883 127.226 43.059 -43.25180      58.69137 
1 1 1 -7  8  43 o 78.022  35.835 18.081    34.222  -80.1156  72.726  46.007    38.784  70.995  36.069 92.651  40.657 -21.65631      54.35059 
1 1 1 -7  9  2  o 148.625 16.264 60.038    12.748  94.019    22.873  44.726    15.354  185.424 23.539 126.915 23.429 58.50863       33.21116 
1 1 1 -7  9  4  f 101.080 23.654 28.609    12.591  0.0000    0.0000  28.609    12.591  ?       ?      101.080 23.654 0.000000       23.65352 
1 1 1 -7  9  6  o 601.637 17.808 972.707   57.442  935.826   99.300  991.255   70.420  587.730 31.630 606.989 21.639 -19.25940      38.32401 
1 1 1 -7  9  8  o 737.595 19.434 1462.92   76.852  1418.02   132.992 1485.44   94.167  723.829 34.270 742.697 23.649 -18.86884      41.63822 
1 1 1 -7  9  10 o 606.198 15.477 987.158   50.299  1011.58   71.082  962.667   71.186  613.034 21.627 597.964 22.205 15.06995       30.99669 
1 1 1 -7  9  12 o 398.844 14.146 427.257   30.248  422.679   42.362  432.019   43.204  395.815 20.028 400.153 20.204 -4.337982      28.44827 
1 1 1 -7  9  14 o 689.053 23.316 1280.20   86.135  1329.86   122.332 1231.36   121.301 700.356 32.580 673.683 33.584 26.67358       46.79058 
1 1 1 -7  9  16 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -7  9  18 o 515.226 15.109 713.849   41.736  701.781   48.209  749.957   83.389  510.563 17.612 524.910 29.754 -14.34650      34.57561 
1 1 1 -7  9  20 o 289.321 20.885 227.221   32.178  188.419   43.152  275.822   48.294  261.121 31.457 317.287 28.701 -56.16656      42.58300 
1 1 1 -7  9  22 o 73.131  26.550 12.066    13.441  6.5483    14.953  35.284    30.674  68.116  27.176 117.109 40.329 -48.99321      48.63074 
1 1 1 -7  9  24 o 199.828 19.508 109.420   20.634  105.998   24.423  117.954   38.568  195.620 23.775 202.355 36.911 -6.734894      43.90517 
1 1 1 -7  9  26 o 404.971 15.585 444.754   33.838  425.257   47.495  464.854   48.223  392.887 22.644 411.153 21.956 -18.26587      31.54066 
1 1 1 -7  9  28 o 370.379 22.175 380.396   43.831  380.396   43.831  0.0000    0.0000  370.379 22.175 ?       ?      0.000000       22.17523 
1 1 1 -7  9  30 o 143.705 22.631 58.873    16.859  65.170    23.505  52.201    24.195  148.079 30.618 131.053 34.106 17.02557       45.83319 
1 1 1 -7  9  32 o 193.954 24.695 108.641   25.096  114.880   47.490  106.224   29.561  182.753 47.890 188.512 30.274 -5.758255      56.65670 
1 1 1 -7  9  34 o 96.627  34.870 27.892    23.135  121.021   49.985  2.5022    26.099  178.233 50.181 76.264  33.412 101.9692       60.28636 
1 1 1 -7  9  36 o 98.932  33.989 32.224    21.782  22.499    41.373  35.953    25.621  97.465  42.397 103.173 36.755 -5.708153      56.11082 
1 1 1 -7  9  38 o 116.695 35.263 48.570    23.927  30.849    37.098  61.193    31.310  98.241  41.360 125.639 40.703 -27.39829      58.02883 
1 1 1 -7  9  40 o 99.078  41.035 38.645    35.640  39.640    41.896  36.039    67.799  99.739  43.024 100.404 47.510 -0.6652908     64.09592 
1 1 1 -7  9  42 o 120.831 41.838 72.082    33.034  26.408    66.189  87.232    38.121  88.376  43.083 127.473 44.895 -39.09686      62.22255 
1 1 1 -7  10 1  o 482.948 14.384 626.368   37.244  626.865   52.698  625.871   52.646  482.700 20.363 482.318 20.359 0.3827820      28.79490 
1 1 1 -7  10 3  o 843.596 17.667 1912.87   79.903  1935.10   112.996 1890.64   113.003 847.359 24.873 837.516 25.167 9.842896       35.38385 
1 1 1 -7  10 5  o 304.080 13.343 248.255   21.753  245.291   30.827  251.195   30.701  301.405 19.177 305.059 18.864 -3.654266      26.89962 
1 1 1 -7  10 7  o 287.020 15.378 221.940   23.577  206.600   28.888  252.547   40.805  276.442 19.619 305.037 25.176 -28.59415      31.91722 
1 1 1 -7  10 9  o 399.931 13.938 429.557   29.886  405.422   42.170  453.911   42.361  387.595 20.365 410.766 19.235 -23.17090      28.01305 
1 1 1 -7  10 11 o 234.603 13.915 148.350   17.423  144.089   24.410  152.776   24.877  230.520 19.948 237.447 19.720 -6.927246      28.04966 
1 1 1 -7  10 13 o 1096.62 24.583 3245.42   144.529 3161.49   250.089 3287.51   177.097 1074.76 43.402 1101.91 29.977 -27.15491      52.74849 
1 1 1 -7  10 15 o 544.295 17.769 797.294   51.853  786.331   63.390  819.461   90.142  539.991 21.896 548.833 30.759 -8.841736      37.75647 
1 1 1 -7  10 17 o 366.514 20.128 363.323   39.400  363.323   39.400  0.0000    0.0000  366.514 20.128 ?       ?      0.000000       20.12820 
1 1 1 -7  10 19 o 62.133  25.198 4.3408    13.083  3.2788    15.454  7.0271    24.578  65.410  27.051 83.725  34.313 -18.31500      43.69391 
1 1 1 -7  10 21 o 281.100 17.792 214.397   26.675  231.971   32.552  178.472   46.542  291.778 20.949 251.714 35.472 40.06425       41.19580 
1 1 1 -7  10 23 o 197.109 19.174 106.485   20.006  114.999   24.133  87.782    35.771  204.118 22.422 173.016 39.440 31.10161       45.36787 
1 1 1 -7  10 25 o 55.517  23.520 0.8657    12.118  7.1742    13.920  -18.8816  24.628  66.563  26.326 64.524  29.907 2.038277       39.84344 
1 1 1 -7  10 27 o 309.031 22.546 265.352   37.097  265.352   37.097  0.0000    0.0000  309.031 22.546 ?       ?      0.000000       22.54643 
1 1 1 -7  10 29 o 436.002 17.832 522.288   41.682  462.352   73.029  551.248   50.763  395.883 34.760 445.658 21.246 -49.77533      40.73873 
1 1 1 -7  10 31 o 284.260 17.297 223.870   26.235  213.675   36.343  234.965   37.912  272.861 25.125 286.349 24.944 -13.48862      35.40458 
1 1 1 -7  10 33 o 350.065 24.296 356.427   45.317  0.0000    0.0000  356.427   45.317  ?       ?      350.065 24.296 0.000000       24.29605 
1 1 1 -7  10 35 o 106.279 35.051 37.683    23.177  91.538    40.453  11.366    28.279  154.061 45.693 83.074  35.583 70.98741       57.91402 
1 1 1 -7  10 37 o 96.441  35.413 30.706    24.011  26.466    39.254  33.242    30.352  97.605  41.868 99.879  39.068 -2.274101      57.26460 
1 1 1 -7  10 39 o 81.301  37.767 0.8488    39.601  -105.2841 54.295  121.492   57.887  65.883  33.202 146.593 54.768 -80.70950      64.04633 
1 1 1 -7  10 41 o 188.924 35.653 136.358   34.788  167.391   68.321  125.496   40.421  142.874 57.707 164.456 44.682 -21.58263      72.98319 
1 1 1 -7  11 2  o 577.832 15.139 897.042   46.900  885.775   66.263  908.352   66.391  573.537 21.550 580.828 21.320 -7.290955      30.31403 
1 1 1 -7  11 4  o 744.221 16.652 1488.74   66.441  1509.41   94.008  1468.10   93.916  748.383 23.430 738.020 23.736 10.36285       33.35173 
1 1 1 -7  11 6  o 760.797 19.210 1557.29   78.356  1388.55   95.867  1896.85   135.997 717.504 24.922 837.387 30.292 -119.8833      39.22629 
1 1 1 -7  11 8  o 493.532 14.527 654.358   38.438  676.185   54.384  632.571   54.334  501.185 20.240 484.684 20.909 16.50104       29.10066 
1 1 1 -7  11 10 o 843.643 20.935 1917.08   94.691  1913.92   115.863 1923.44   164.318 841.935 25.668 840.970 36.445 0.9650879      44.57652 
1 1 1 -7  11 12 o 541.257 21.362 789.626   61.991  747.600   87.330  832.308   88.010  524.141 31.219 553.500 29.767 -29.35962      43.13601 
1 1 1 -7  11 14 o 110.659 22.577 34.246    12.941  35.478    15.566  31.489    23.288  112.286 26.316 108.860 35.086 3.425835       43.85841 
1 1 1 -7  11 16 o 64.464  25.135 6.8879    12.532  6.8879    12.532  0.0000    0.0000  64.464  25.135 ?       ?      0.000000       25.13469 
1 1 1 -7  11 18 o 213.756 15.062 123.695   17.151  122.375   19.894  127.515   33.846  212.219 17.645 213.956 30.358 -1.736359      35.11356 
1 1 1 -7  11 20 o 111.819 24.568 35.400    14.326  35.400    14.326  0.0000    0.0000  111.819 24.568 ?       ?      0.000000       24.56834 
1 1 1 -7  11 22 o 216.871 16.296 128.069   18.809  120.372   21.499  153.178   38.831  209.539 19.356 232.580 31.987 -23.04135      37.38803 
1 1 1 -7  11 24 o 74.508  29.449 9.3363    17.407  19.170    22.659  -4.8227   27.190  91.766  34.269 76.979  33.904 14.78750       48.20645 
1 1 1 -7  11 26 o 98.525  30.503 27.684    17.765  27.684    17.765  0.0000    0.0000  98.525  30.503 ?       ?      0.000000       30.50292 
1 1 1 -7  11 28 o 310.335 19.178 266.335   31.752  235.144   38.038  338.021   57.666  288.545 24.830 340.943 31.919 -52.39835      40.43975 
1 1 1 -7  11 30 o 244.732 19.488 167.464   25.357  152.573   29.170  213.516   51.299  231.165 23.881 263.187 37.409 -32.02150      44.38155 
1 1 1 -7  11 32 o 253.189 26.790 189.659   35.812  0.0000    0.0000  189.659   35.812  ?       ?      253.189 26.790 0.000000       26.78961 
1 1 1 -7  11 34 o 94.288  31.617 27.758    18.839  6.5901    27.644  46.112    25.741  79.732  34.670 116.641 36.814 -36.90907      50.56932 
1 1 1 -7  11 36 o 133.736 33.209 59.800    23.702  24.254    35.688  87.852    31.703  96.001  40.500 158.472 37.837 -62.47163      55.42430 
1 1 1 -7  11 38 o 305.926 25.669 290.559   41.712  252.806   48.891  391.554   79.965  271.484 34.359 302.600 51.111 -31.11569      61.58622 
1 1 1 -7  11 40 o 82.009  36.809 15.914    33.630  0.0000    0.0000  15.914    33.630  ?       ?      82.009  36.809 0.000000       36.80888 
1 1 1 -7  12 1  o 622.892 17.838 1043.79   59.572  936.303   103.122 1097.63   72.982  586.557 32.925 638.268 21.328 -51.71088      39.22922 
1 1 1 -7  12 3  o 788.627 20.025 1674.60   84.665  1648.79   103.745 1726.06   146.499 781.613 24.757 797.256 34.274 -15.64307      42.28050 
1 1 1 -7  12 5  o 429.005 20.105 495.606   46.241  443.167   64.958  549.479   65.840  403.423 30.253 450.032 27.419 -46.60831      40.82990 
1 1 1 -7  12 7  o 302.054 13.908 245.129   22.523  243.500   31.568  246.818   32.145  300.065 19.733 302.080 19.961 -2.015076      28.06799 
1 1 1 -7  12 9  o 905.933 21.829 2213.33   106.025 2226.46   183.727 2206.77   129.822 903.158 37.944 903.214 26.809 -0.5657959E-01 46.45928 
1 1 1 -7  12 11 o 246.390 17.017 164.174   22.342  138.827   38.066  177.494   27.595  223.634 32.717 255.784 20.289 -32.15007      38.49688 
1 1 1 -7  12 13 o 347.121 14.096 324.070   26.234  344.408   36.906  303.297   37.297  356.810 19.365 334.513 20.901 22.29715       28.49335 
1 1 1 -7  12 15 o 261.450 20.919 186.048   29.078  113.774   39.554  271.037   42.892  199.915 38.298 314.841 25.633 -114.9259      46.08515 
1 1 1 -7  12 17 o 436.586 16.613 514.642   38.885  514.642   38.885  0.0000    0.0000  436.586 16.613 ?       ?      0.000000       16.61290 
1 1 1 -7  12 19 o 143.562 20.379 57.075    15.245  69.041    18.158  28.500    28.061  157.761 22.073 107.428 38.444 50.33352       44.33059 
1 1 1 -7  12 21 o 215.358 19.370 127.209   22.126  153.906   27.250  75.551    37.906  236.387 21.745 159.103 43.286 77.28339       48.44152 
1 1 1 -7  12 23 o 107.771 29.323 33.567    17.394  21.092    22.818  50.870    26.873  93.962  34.519 131.265 36.737 -37.30275      50.41007 
1 1 1 -7  12 25 o 43.255  20.615 -16.5949  13.227  -16.5949  13.227  0.0000    0.0000  43.255  20.615 ?       ?      0.000000       20.61487 
1 1 1 -7  12 27 o 68.819  26.484 9.5814    13.774  1.6721    16.144  30.736    26.403  63.642  27.063 105.591 37.344 -41.94912      46.11910 
1 1 1 -7  12 29 o 225.714 19.156 142.367   22.962  123.345   27.340  187.910   42.303  206.965 25.156 250.936 32.186 -43.97130      40.85075 
1 1 1 -7  12 31 o 83.847  34.192 13.739    24.251  6.9656    39.599  17.804    30.677  92.921  40.921 92.767  38.213 0.1544647      55.98920 
1 1 1 -7  12 33 o 69.445  28.240 8.7284    16.486  8.7284    16.486  0.0000    0.0000  69.445  28.240 ?       ?      0.000000       28.24036 
1 1 1 -7  12 35 o 151.618 35.311 77.190    28.169  76.563    38.159  77.940    41.756  141.426 44.843 140.238 47.071 1.188080       65.01170 
1 1 1 -7  12 37 o 118.456 41.569 54.715    32.664  94.590    51.343  27.603    42.337  140.133 51.732 98.148  42.788 41.98506       67.13425 
1 1 1 -7  12 39 o 134.743 37.437 71.034    28.014  96.681    55.221  62.146    32.508  126.583 51.604 119.296 41.492 7.287094       66.21620 
1 1 1 -7  13 2  o 467.992 16.873 589.555   42.334  601.798   52.058  565.649   72.744  472.352 20.557 455.431 29.959 16.92142       36.33375 
1 1 1 -7  13 4  o 185.776 17.932 93.805    17.638  67.593    31.596  105.671   21.259  154.156 38.379 196.902 20.436 -42.74544      43.48092 
1 1 1 -7  13 6  o 361.179 14.150 350.769   27.400  333.292   38.569  368.579   38.934  350.873 20.593 369.182 19.742 -18.30902      28.52767 
1 1 1 -7  13 8  o 387.463 16.407 404.249   34.082  379.203   58.418  417.173   41.964  372.297 29.509 392.682 19.999 -20.38516      35.64728 
1 1 1 -7  13 10 o 349.346 14.118 328.379   26.443  338.093   37.552  318.824   37.242  353.276 19.908 342.949 20.346 10.32687       28.46528 
1 1 1 -7  13 12 o 327.742 20.292 291.597   35.480  291.597   35.480  0.0000    0.0000  327.742 20.292 ?       ?      0.000000       20.29193 
1 1 1 -7  13 14 o 473.150 14.795 603.500   37.530  556.224   52.841  651.626   53.314  452.765 21.768 490.449 20.276 -37.68399      29.74822 
1 1 1 -7  13 16 o 371.139 16.848 372.470   33.523  296.468   57.016  412.626   41.444  325.598 33.123 389.474 19.914 -63.87625      38.64855 
1 1 1 -7  13 18 o 168.571 27.569 80.143    24.054  101.618   36.556  63.744    31.944  186.915 37.779 147.444 39.580 39.47118       54.71563 
1 1 1 -7  13 20 o 289.509 14.325 226.698   22.234  219.046   25.408  251.716   45.943  283.635 16.783 299.749 28.949 -16.11426      33.46192 
1 1 1 -7  13 22 o 129.298 20.414 46.825    13.681  44.847    15.634  53.293    28.272  125.508 24.110 134.009 37.743 -8.500984      44.78678 
1 1 1 -7  13 24 o 272.423 19.154 204.403   27.797  204.403   27.797  0.0000    0.0000  272.423 19.154 ?       ?      0.000000       19.15388 
1 1 1 -7  13 26 o 266.659 16.537 195.315   23.525  190.491   27.196  209.651   46.884  262.113 19.493 266.846 33.510 -4.733795      38.76742 
1 1 1 -7  13 28 o 213.902 24.176 131.133   27.238  118.978   35.457  148.633   42.546  197.116 34.825 218.609 37.660 -21.49255      51.29425 
1 1 1 -7  13 30 o 54.262  24.352 -4.6549   14.715  -0.6984   17.101  -15.9437  28.886  61.953  27.096 69.714  32.339 -7.760090      42.19043 
1 1 1 -7  13 32 o 89.406  31.409 23.385    18.651  23.385    18.651  0.0000    0.0000  89.406  31.409 ?       ?      0.000000       31.40944 
1 1 1 -7  13 34 o 52.587  23.498 -3.1689   13.543  -2.3406   14.699  -7.8224   34.842  55.500  24.661 78.606  36.123 -23.10612      43.73834 
1 1 1 -7  13 36 o 79.653  35.803 3.5793    31.942  50.897    57.622  -17.4117  38.379  114.054 49.815 75.611  35.768 38.44252       61.32604 
1 1 1 -7  13 38 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -7  14 1  f 692.490 16.546 1293.09   61.430  1252.40   86.841  1333.84   86.908  679.363 23.843 701.359 23.113 -21.99640      33.20626 
1 1 1 -7  14 3  o 441.987 16.806 526.818   39.825  546.217   69.628  517.386   48.551  446.453 29.251 437.337 20.707 9.115997       35.83836 
1 1 1 -7  14 5  o 539.226 21.552 787.309   62.307  0.0000    0.0000  787.309   62.307  ?       ?      539.226 21.552 0.000000       21.55226 
1 1 1 -7  14 7  o 553.831 17.772 828.152   52.771  865.550   91.787  809.687   64.496  561.489 30.606 546.581 22.009 14.90784       37.69822 
1 1 1 -7  14 9  o 99.844  24.031 28.174    12.708  19.466    22.348  32.336    15.449  93.061  34.166 106.828 26.970 -13.76633      43.52826 
1 1 1 -7  14 11 o 253.237 20.488 174.974   27.577  155.378   40.016  192.700   38.058  235.331 32.591 264.126 27.268 -28.79521      42.49411 
1 1 1 -7  14 13 o 212.167 17.723 122.652   19.975  113.517   34.484  127.265   24.504  199.998 33.334 215.342 21.513 -15.34349      39.67313 
1 1 1 -7  14 15 o 177.826 15.900 86.177    14.999  92.048    21.156  80.244    21.269  182.505 22.070 169.738 24.044 12.76683       32.63740 
1 1 1 -7  14 17 o 365.162 14.448 360.435   28.285  310.938   39.217  414.095   40.833  336.710 21.842 389.574 19.613 -52.86456      29.35569 
1 1 1 -7  14 19 o 360.112 14.832 351.167   28.636  342.431   33.045  377.513   57.387  354.942 17.365 366.961 29.416 -12.01840      34.15915 
1 1 1 -7  14 21 o 171.028 22.361 81.753    20.013  81.753    20.013  0.0000    0.0000  171.028 22.361 ?       ?      0.000000       22.36103 
1 1 1 -7  14 23 o 99.319  30.222 28.345    17.531  24.515    21.916  35.150    29.212  96.458  34.033 112.614 39.323 -16.15604      52.00548 
1 1 1 -7  14 25 o 92.202  30.096 24.053    17.104  28.732    21.237  15.414    28.856  100.430 33.570 92.508  37.454 7.921951       50.29690 
1 1 1 -7  14 27 o 133.999 29.428 54.023    20.563  29.967    24.998  104.350   36.158  102.332 36.322 181.832 38.300 -79.49942      52.78396 
1 1 1 -7  14 29 o 155.374 25.979 71.319    20.876  62.653    25.378  89.458    36.715  141.058 33.964 163.558 41.733 -22.49956      53.80722 
1 1 1 -7  14 31 f 114.012 32.586 41.083    20.914  41.083    20.914  0.0000    0.0000  114.012 32.586 ?       ?      0.000000       32.58559 
1 1 1 -7  14 33 o 224.797 20.912 145.767   24.914  148.319   28.633  137.813   50.554  224.150 24.211 189.844 49.249 34.30583       54.87839 
1 1 1 -7  14 35 o 110.118 40.334 43.705    31.119  23.578    46.124  60.522    42.161  99.366  43.941 122.320 46.511 -22.95345      63.98457 
1 1 1 -7  14 37 o 98.430  35.790 35.439    24.439  35.439    24.439  0.0000    0.0000  98.430  35.790 ?       ?      0.000000       35.79036 
1 1 1 -7  15 2  o 346.031 16.542 323.425   30.688  343.678   54.830  314.187   37.032  352.746 29.257 339.789 20.423 12.95786       35.67970 
1 1 1 -7  15 4  o 348.833 14.137 328.016   26.438  371.167   38.143  288.114   36.679  369.693 19.311 325.149 21.156 44.54364       28.64422 
1 1 1 -7  15 6  o 342.104 14.308 315.573   26.242  321.891   37.765  309.675   36.491  343.849 20.580 337.317 20.272 6.532227       28.88775 
1 1 1 -7  15 8  o 219.251 22.460 132.111   26.028  132.111   26.028  0.0000    0.0000  219.251 22.460 ?       ?      0.000000       22.45989 
1 1 1 -7  15 10 o 221.057 14.853 132.503   17.501  135.234   25.014  129.885   24.495  222.025 21.275 217.551 21.273 4.474243       30.08611 
1 1 1 -7  15 12 o 342.504 14.324 316.722   26.303  327.040   37.791  307.027   36.633  346.182 20.452 335.381 20.471 10.80087       28.93747 
1 1 1 -7  15 14 o 295.073 16.995 236.757   26.772  231.170   48.022  239.276   32.248  286.575 31.792 295.710 20.466 -9.134857      37.80969 
1 1 1 -7  15 16 f 132.827 20.090 49.136    13.859  56.997    19.922  41.762    19.294  141.371 27.272 120.214 30.025 21.15656       40.56198 
1 1 1 -7  15 18 o 355.485 14.865 342.396   28.331  330.453   40.429  353.920   39.714  346.449 21.878 359.064 20.718 -12.61453      30.13135 
1 1 1 -7  15 20 o 168.093 19.502 78.340    17.249  88.847    20.019  48.064    33.983  178.596 21.330 128.440 42.446 50.15619       47.50404 
1 1 1 -7  15 22 o 103.777 27.919 31.457    15.873  40.823    19.548  13.326    27.198  117.508 30.693 89.753  36.354 27.75519       47.57822 
1 1 1 -7  15 24 o 283.618 18.159 222.480   27.467  212.110   33.122  245.317   49.151  274.542 22.706 288.693 32.310 -14.15085      39.49099 
1 1 1 -7  15 26 o 148.629 23.249 63.638    17.919  71.131    20.611  40.447    36.262  156.275 25.479 117.196 43.433 39.07918       50.35476 
1 1 1 -7  15 28 o 221.662 23.891 141.329   27.943  141.329   27.943  0.0000    0.0000  221.662 23.891 ?       ?      0.000000       23.89072 
1 1 1 -7  15 30 o 56.247  25.599 -7.5349   16.946  -15.6348  19.527  17.184    34.111  55.690  26.082 95.143  39.836 -39.45283      47.61518 
1 1 1 -7  15 32 o 173.542 33.970 96.743    30.474  58.069    41.132  143.805   45.374  126.523 46.367 202.873 43.050 -76.34972      63.27039 
1 1 1 -7  15 34 f 66.787  31.274 -14.7419  28.051  -12.0496  40.288  -17.2752  39.080  80.156  37.517 77.077  36.349 3.078285       52.23727 
1 1 1 -7  16 1  o 247.159 21.416 167.473   28.097  226.958   41.354  116.466   38.294  286.199 27.282 201.104 36.876 85.09509       45.87062 
1 1 1 -7  16 3  o 402.945 20.777 442.653   44.732  427.338   63.425  457.810   63.096  392.177 30.403 406.564 29.140 -14.38751      42.11294 
1 1 1 -7  16 5  o 309.554 16.994 260.137   28.095  267.313   34.717  246.519   47.827  312.836 20.818 297.223 30.443 15.61252       36.88056 
1 1 1 -7  16 7  o 144.589 29.146 59.615    21.813  59.615    21.813  0.0000    0.0000  144.589 29.146 ?       ?      0.000000       29.14585 
1 1 1 -7  16 9  o 239.096 17.604 155.784   22.407  178.019   27.661  113.348   38.214  254.992 20.405 197.821 37.402 57.17145       42.60570 
1 1 1 -7  16 11 o 148.071 21.566 61.009    16.618  54.432    20.161  74.946    29.348  138.051 28.193 160.581 35.071 -22.53093      44.99759 
1 1 1 -7  16 13 f 504.801 17.721 692.094   47.960  682.448   58.565  711.732   83.567  499.577 21.866 504.331 31.058 -4.753754      37.98276 
1 1 1 -7  16 15 o 300.153 18.004 245.987   28.838  251.868   36.264  235.870   47.564  302.188 22.546 288.697 31.228 13.49121       38.51600 
1 1 1 -7  16 17 o 152.737 31.878 68.049    25.261  68.049    25.261  0.0000    0.0000  152.737 31.878 ?       ?      0.000000       31.87826 
1 1 1 -7  16 19 f 114.046 24.435 37.437    14.491  43.445    21.741  32.634    19.438  121.188 32.703 106.053 31.724 15.13473       45.56253 
1 1 1 -7  16 21 o 110.697 25.546 35.706    14.853  28.585    17.206  56.535    29.425  99.167  29.888 135.656 38.609 -36.48914      48.82605 
1 1 1 -7  16 23 f 191.855 21.124 103.526   21.368  110.804   24.767  82.336    42.261  197.307 23.901 158.181 46.648 39.12521       52.41498 
1 1 1 -7  16 25 o 113.177 29.414 38.480    18.012  35.670    21.272  45.599    33.858  108.747 33.330 121.880 42.347 -13.13298      53.89054 
1 1 1 -7  16 27 o 113.149 34.293 39.455    22.604  39.455    22.604  0.0000    0.0000  113.149 34.293 ?       ?      0.000000       34.29262 
1 1 1 -7  16 29 o 92.466  34.935 22.711    23.690  55.171    34.755  -5.4581   32.376  128.354 42.945 79.584  35.883 48.77036       55.96269 
1 1 1 -7  16 31 f 111.705 40.458 40.973    31.185  99.040    49.020  1.4943    40.419  158.518 50.885 89.136  40.150 69.38208       64.81758 
1 1 1 -7  16 33 o 163.505 34.350 89.354    29.154  55.223    36.730  147.473   47.930  120.513 43.868 195.865 46.363 -75.35206      63.82747 
1 1 1 -7  17 2  o 206.085 16.398 115.735   17.968  127.957   25.612  103.892   25.213  215.277 22.524 193.079 24.939 22.19824       33.60529 
1 1 1 -7  17 4  o 231.463 22.819 147.831   27.948  147.831   27.948  0.0000    0.0000  231.463 22.819 ?       ?      0.000000       22.81867 
1 1 1 -7  17 6  f 135.908 19.412 51.215    13.743  45.651    21.411  55.113    17.921  125.641 31.767 139.751 24.828 -14.11073      40.31896 
1 1 1 -7  17 8  o 276.509 14.598 207.311   21.565  244.445   31.871  175.954   29.287  298.889 20.005 252.854 21.818 46.03464       29.60056 
1 1 1 -7  17 10 o 232.895 17.487 148.135   21.675  195.025   40.874  129.791   25.566  263.335 29.456 216.620 22.334 46.71457       36.96569 
1 1 1 -7  17 12 o 222.465 15.830 134.897   18.758  148.271   28.294  124.409   25.055  231.201 23.137 211.826 22.402 19.37482       32.20506 
1 1 1 -7  17 14 o 152.041 19.749 64.235    15.718  106.243   25.265  37.711    20.076  194.524 24.789 113.822 31.716 80.70181       40.25417 
1 1 1 -7  17 16 o 109.306 24.001 34.345    13.680  79.058    23.922  12.618    16.676  165.931 27.880 77.051  29.262 88.87931       40.41708 
1 1 1 -7  17 18 o 228.136 20.670 144.653   25.007  150.511   31.945  135.382   40.188  230.270 26.350 213.013 36.503 17.25735       45.02032 
1 1 1 -7  17 20 o 184.929 20.221 95.521    19.722  131.036   34.555  78.364    24.017  211.548 31.422 164.132 28.317 47.41522       42.29833 
1 1 1 -7  17 22 o 161.092 24.059 74.202    20.142  68.466    24.620  85.810    35.025  151.521 31.341 165.559 39.924 -14.03728      50.75636 
1 1 1 -7  17 24 o 74.689  28.680 11.996    16.129  18.842    17.996  -15.9698  36.371  85.275  30.757 80.664  37.009 4.611481       48.12140 
1 1 1 -7  17 26 o 156.132 32.711 74.525    26.505  63.586    33.483  92.882    43.375  139.695 41.603 165.137 46.833 -25.44144      62.64296 
1 1 1 -7  17 28 o 114.868 32.867 41.315    21.265  36.083    24.355  58.096    43.621  107.864 35.948 130.614 47.766 -22.75036      59.78181 
1 1 1 -7  17 30 o 96.705  39.398 23.435    32.161  36.797    48.980  13.309    42.641  113.065 47.559 96.857  42.563 16.20851       63.82372 
1 1 1 -7  18 1  o 153.045 26.497 66.555    20.954  74.382    31.321  60.213    28.193  158.437 37.462 142.713 36.655 15.72350       52.41165 
1 1 1 -7  18 3  o 169.824 25.796 81.358    22.748  95.933    33.712  69.174    30.823  180.977 36.012 152.694 37.843 28.28352       52.23920 
1 1 1 -7  18 5  o 214.289 23.539 127.741   26.598  0.0000    0.0000  127.741   26.598  ?       ?      214.289 23.539 0.000000       23.53925 
1 1 1 -7  18 7  o 364.774 17.094 361.848   33.430  389.639   59.064  348.750   40.549  372.090 29.859 356.105 21.337 15.98407       36.69970 
1 1 1 -7  18 9  o 292.227 18.126 233.679   28.258  200.461   35.385  292.155   46.948  268.126 24.900 322.866 27.380 -54.73978      37.00910 
1 1 1 -7  18 11 o 187.692 20.617 97.733    20.405  78.319    37.265  106.046   24.385  160.113 42.648 194.523 23.883 -34.41049      48.87994 
1 1 1 -7  18 13 o 75.371  28.456 12.239    15.712  65.912    27.854  -12.8065  19.027  148.607 35.456 57.897  26.639 90.71034       44.34803 
1 1 1 -7  18 15 o 338.025 17.886 313.380   32.299  346.595   41.305  261.107   51.817  353.575 21.897 300.591 32.680 52.98343       39.33800 
1 1 1 -7  18 17 o 337.025 18.169 312.151   32.708  415.830   66.905  279.589   37.494  378.726 33.288 316.989 22.202 61.73688       40.01331 
1 1 1 -7  18 19 o 94.213  37.911 16.199    29.368  0.0000    0.0000  16.199    29.368  ?       ?      94.213  37.911 0.000000       37.91110 
1 1 1 -7  18 21 o 179.191 24.167 91.391    22.625  99.908    60.175  89.989    24.416  170.205 56.494 176.747 26.590 -6.542297      62.43936 
1 1 1 -7  18 23 o 160.248 42.690 82.756    37.336  82.756    37.336  0.0000    0.0000  160.248 42.690 ?       ?      0.000000       42.68999 
1 1 1 -7  18 25 o 122.869 28.789 45.451    18.633  45.412    21.958  45.550    35.216  121.356 32.916 121.186 43.100 0.1701126      54.23137 
1 1 1 -7  18 27 o 158.957 26.294 74.933    21.625  50.527    24.443  162.853   46.393  125.789 34.977 223.510 40.193 -97.72134      53.28094 
1 1 1 -7  19 2  o 51.697  21.985 0.4572    10.655  6.1428    16.317  -3.7691   14.068  69.123  28.101 54.902  24.273 14.22073       37.13295 
1 1 1 -7  19 4  o 123.311 32.659 44.640    21.933  51.937    31.783  38.005    30.306  132.389 40.768 116.979 40.097 15.40974       57.18266 
1 1 1 -7  19 6  o 154.763 19.752 66.561    16.015  56.657    23.927  74.601    21.556  138.799 32.692 162.163 25.647 -23.36371      41.55222 
1 1 1 -7  19 8  o 167.732 18.962 77.847    16.752  93.460    26.076  66.875    21.860  181.054 27.748 152.608 27.740 28.44540       39.23545 
1 1 1 -7  19 10 o 215.071 19.660 127.717   22.418  169.521   30.009  74.922    33.724  246.816 22.941 157.244 39.930 89.57141       46.05048 
1 1 1 -7  19 12 f 300.092 15.564 245.483   24.954  282.827   37.978  217.111   33.103  319.449 22.315 279.726 22.257 39.72321       31.51716 
1 1 1 -7  19 14 o 128.621 23.667 47.178    15.719  73.082    26.936  33.802    19.356  157.392 32.977 107.757 31.511 49.63480       45.61171 
1 1 1 -7  19 16 o 169.459 22.513 80.765    19.947  52.798    35.856  93.299    24.005  132.619 43.590 181.244 25.401 -48.62471      50.45080 
1 1 1 -7  19 18 o 76.470  27.923 14.032    14.898  11.822    26.515  15.051    18.010  87.566  35.735 81.234  30.510 6.331917       46.98751 
1 1 1 -7  19 20 o 221.220 23.635 138.337   27.598  128.346   36.139  152.317   42.748  207.745 33.593 224.589 36.775 -16.84351      49.80914 
1 1 1 -7  19 22 o 99.210  28.386 29.126    15.862  44.172    28.282  22.222    19.160  119.938 38.667 90.421  31.830 29.51675       50.08252 
1 1 1 -7  19 24 o 104.019 32.524 32.720    20.140  30.239    24.554  37.821    35.210  102.089 36.023 113.815 42.676 -11.72546      55.84718 
1 1 1 -7  20 1  o 148.392 24.419 62.357    18.752  66.039    23.055  55.159    32.232  151.147 29.509 135.998 40.890 15.14885       50.42593 
1 1 1 -7  20 3  o 152.304 22.279 65.061    17.654  83.723    23.308  39.946    27.039  171.884 26.114 117.928 37.785 53.95522       45.93110 
1 1 1 -7  20 5  o 64.500  24.754 8.0709    12.012  3.7841    19.802  10.566    15.109  72.305  30.317 72.572  27.783 -0.2669144     41.12252 
1 1 1 -7  20 7  o 305.380 17.559 255.004   28.626  275.615   36.472  221.931   46.199  315.931 21.663 278.805 31.458 37.12537       38.19524 
1 1 1 -7  20 9  o 195.142 19.889 105.356   20.517  99.836    36.222  107.963   24.896  182.787 38.193 196.150 24.186 -13.36295      45.20720 
1 1 1 -7  20 11 o 91.906  28.339 23.849    15.351  43.855    26.805  14.084    18.727  122.072 37.415 81.359  30.983 40.71241       48.57817 
1 1 1 -7  20 13 o 211.030 19.703 123.252   22.034  97.056    41.746  133.368   25.942  176.602 44.196 218.595 22.455 -41.99274      49.57380 
1 1 1 -7  20 15 o 255.486 17.417 179.336   23.715  204.803   36.952  161.502   30.923  269.287 25.915 239.583 24.416 29.70430       35.60498 
1 1 1 -7  20 17 f 123.815 27.174 44.855    17.544  15.699    29.689  60.499    21.747  93.926  38.004 143.476 29.263 -49.54974      47.96475 
1 1 1 -7  20 19 o 75.351  29.377 11.375    17.118  -2.2343   27.273  20.221    21.989  77.219  33.984 90.531  33.768 -13.31263      47.90844 
1 1 1 -7  20 21 o 118.231 39.850 42.859    29.929  42.859    29.929  0.0000    0.0000  118.231 39.850 ?       ?      0.000000       39.84999 
1 1 1 -7  21 2  o 204.843 18.135 115.462   19.710  140.709   27.581  89.111    28.178  224.537 23.248 175.270 31.127 49.26730       38.85033 
1 1 1 -7  21 4  o 199.676 17.333 109.510   18.371  119.151   27.183  101.404   24.925  205.731 25.170 189.590 25.142 16.14130       35.57560 
1 1 1 -7  21 6  o 257.453 16.038 181.031   22.027  203.131   34.072  165.162   28.871  269.878 23.792 243.735 22.343 26.14284       32.63794 
1 1 1 -7  21 8  o 226.590 23.222 143.456   27.812  144.968   33.995  140.397   48.366  225.413 28.787 213.907 43.652 11.50583       52.28933 
1 1 1 -7  21 10 o 124.354 27.399 44.963    17.774  44.499    27.284  45.305    23.426  122.522 37.781 123.443 34.212 -0.9213715     50.96893 
1 1 1 -7  21 12 o 108.537 30.609 34.581    18.582  65.316    36.445  23.785    21.601  145.090 43.448 95.178  33.765 49.91266       55.02542 
1 1 1 -7  21 14 o 110.725 28.201 36.061    16.787  30.666    30.119  38.493    20.219  107.815 39.651 113.838 31.867 -6.023087      50.87012 
1 1 1 -7  21 16 o 189.760 24.450 102.592   24.296  97.685    32.479  108.826   36.609  179.863 34.940 188.556 37.534 -8.693558      51.27991 
1 1 1 -7  22 1  o 112.215 31.997 37.097    20.190  63.144    38.168  26.977    23.791  142.895 44.788 100.448 35.457 42.44658       57.12435 
1 1 1 -7  22 3  o 48.991  23.075 -16.0310  15.660  -16.8527  32.946  -15.7912  17.799  77.219  35.353 53.522  25.014 23.69720       43.30754 
1 1 1 -7  22 5  o 159.658 21.477 71.574    17.917  58.180    26.842  82.340    24.064  138.902 35.814 169.194 27.470 -30.29146      45.13578 
1 1 1 -7  22 7  o 95.775  28.741 26.415    15.936  42.519    24.978  15.360    20.695  119.491 36.011 84.611  32.487 34.87976       48.49958 
1 1 1 -7  22 9  o 188.521 22.731 100.050   22.511  112.848   37.357  92.754    28.207  193.204 37.417 178.068 30.652 15.13640       48.36908 
1 1 1 -6  0  2  o 222.041 17.993 135.090   21.096  135.090   21.096  135.090   21.096  222.041 17.993 222.041 17.993 0.000000       0.000000 
1 1 1 -6  0  4  o 351.727 18.969 335.491   35.533  335.491   35.533  335.491   35.533  351.727 18.969 351.727 18.969 -0.000000      0.000000 
1 1 1 -6  0  6  o 340.377 27.126 318.437   48.778  318.437   48.778  318.437   48.778  340.377 27.126 340.377 27.126 0.000000       0.000000 
1 1 1 -6  0  8  o 499.189 20.222 674.005   53.919  674.005   53.919  674.005   53.919  499.189 20.222 499.189 20.222 0.000000       0.000000 
1 1 1 -6  0  10 o 337.008 18.747 308.414   33.632  308.414   33.632  308.414   33.632  337.008 18.747 337.008 18.747 0.000000       0.000000 
1 1 1 -6  0  12 o 157.415 32.386 74.845    24.143  74.845    24.143  74.845    24.143  157.415 32.386 157.415 32.386 -0.000000      0.000000 
1 1 1 -6  0  14 o 189.808 19.364 99.858    19.235  99.858    19.235  99.858    19.235  189.808 19.364 189.808 19.364 -0.000000      0.000000 
1 1 1 -6  0  16 o 367.318 19.714 365.665   38.568  365.665   38.568  365.665   38.568  367.318 19.714 367.318 19.714 0.000000       0.000000 
1 1 1 -6  0  18 o 136.914 25.046 55.133    16.566  55.133    16.566  55.133    16.566  136.914 25.046 136.914 25.046 -0.000000      0.000000 
1 1 1 -6  0  20 o 34.923  23.339 -4.2649   12.025  -4.2649   12.025  -4.2649   12.025  34.923  23.339 34.923  23.339 -0.000000      0.000000 
1 1 1 -6  0  22 o 152.844 42.881 76.098    30.413  76.098    30.413  76.098    30.413  152.844 42.881 152.844 42.881 -0.000000      0.000000 
1 1 1 -6  0  24 o 358.734 20.862 349.299   39.814  349.299   39.814  349.299   39.814  358.734 20.862 358.734 20.862 0.000000       0.000000 
1 1 1 -6  0  26 o 235.723 23.728 153.960   29.291  153.960   29.291  153.960   29.291  235.723 23.728 235.723 23.728 -0.000000      0.000000 
1 1 1 -6  0  28 f 453.394 21.260 556.714   51.420  556.714   51.420  556.714   51.420  453.394 21.260 453.394 21.260 -0.000000      0.000000 
1 1 1 -6  0  30 o 295.714 32.739 245.801   50.279  245.801   50.279  245.801   50.279  295.714 32.739 295.714 32.739 -0.000000      0.000000 
1 1 1 -6  0  32 f 51.393  35.338 -21.4326  31.831  -21.4326  31.831  -21.4326  31.831  51.393  35.338 51.393  35.338 0.000000       0.000000 
1 1 1 -6  0  34 o 171.291 32.642 88.385    26.815  88.385    26.815  88.385    26.815  171.291 32.642 171.291 32.642 -0.000000      0.000000 
1 1 1 -6  0  36 o 356.033 31.819 358.336   59.620  358.336   59.620  358.336   59.620  356.033 31.819 356.033 31.819 0.000000       0.000000 
1 1 1 -6  0  38 o 333.902 24.552 310.675   43.406  310.675   43.406  310.675   43.406  333.902 24.552 333.902 24.552 -0.000000      0.000000 
1 1 1 -6  0  40 o 102.158 48.882 45.748    30.774  45.748    30.774  45.748    30.774  102.158 48.882 102.158 48.882 0.000000       0.000000 
1 1 1 -6  0  42 o 83.547  49.439 28.768    38.206  28.768    38.206  28.768    38.206  83.547  49.439 83.547  49.439 -0.000000      0.000000 
1 1 1 -6  0  44 o 207.083 49.263 146.670   47.468  146.670   47.468  146.670   47.468  207.083 49.263 207.083 49.263 -0.000000      0.000000 
1 1 1 -6  0  46 o 77.059  49.334 17.813    45.858  17.813    45.858  17.813    45.858  77.059  49.334 77.059  49.334 -0.000000      0.000000 
1 1 1 -6  1  1  o 262.241 12.644 184.840   17.777  183.626   25.119  186.059   25.163  260.398 18.105 262.138 18.014 -1.739899      25.54014 
1 1 1 -6  1  3  o 159.292 14.950 68.863    12.618  63.072    15.457  80.430    21.846  151.702 19.454 170.674 24.584 -18.97205      31.34949 
1 1 1 -6  1  5  o 463.104 16.178 577.523   40.167  583.983   49.185  564.588   69.596  465.176 19.722 454.824 28.688 10.35181       34.81305 
1 1 1 -6  1  7  o 353.258 13.198 335.648   24.997  355.467   35.362  315.854   35.340  362.534 18.252 341.484 19.383 21.04996       26.62376 
1 1 1 -6  1  9  o 289.026 12.920 224.726   20.020  226.665   28.205  222.757   28.422  289.193 18.286 286.625 18.596 2.567841       26.08034 
1 1 1 -6  1  11 o 480.832 20.280 625.453   52.280  631.891   73.882  618.996   73.989  480.266 28.827 475.195 29.183 5.070770       41.02026 
1 1 1 -6  1  13 o 43.480  16.653 3.4295    5.4294  -10.8195  8.1584  14.757    7.2741  33.902  16.167 72.572  18.608 -38.66983      24.64956 
1 1 1 -6  1  15 o 223.561 13.266 134.814   15.829  130.159   22.493  139.382   22.280  218.872 19.368 226.681 18.494 -7.809189      26.77937 
1 1 1 -6  1  17 o 240.218 19.420 156.349   24.797  131.581   35.324  180.413   34.818  218.250 31.066 257.232 25.587 -38.98149      40.24623 
1 1 1 -6  1  19 o 101.242 19.300 28.492    10.094  27.169    14.626  29.695    13.947  98.741  26.899 102.906 25.427 -4.165199      37.01459 
1 1 1 -6  1  21 o 407.672 14.105 446.451   30.830  458.534   43.675  434.449   43.525  412.740 19.737 401.199 20.301 11.54059       28.31411 
1 1 1 -6  1  23 o 427.829 14.483 492.033   33.221  506.315   47.012  477.789   46.950  433.419 20.232 420.967 20.803 12.45190       29.01843 
1 1 1 -6  1  25 o 296.177 14.898 236.612   23.581  215.081   33.378  258.070   33.321  281.224 22.321 308.568 20.254 -27.34381      30.14061 
1 1 1 -6  1  27 o 824.247 25.589 1846.29   113.078 1669.74   159.681 2023.88   160.152 777.315 38.316 858.030 34.814 -80.71454      51.77055 
1 1 1 -6  1  29 o 134.047 24.840 50.563    17.194  36.467    24.411  64.442    24.222  114.520 35.806 150.242 31.096 -35.72221      47.42381 
1 1 1 -6  1  31 o 188.235 30.028 101.424   29.286  67.376    41.957  133.773   40.897  149.451 46.977 213.594 37.057 -64.14375      59.83364 
1 1 1 -6  1  33 o 185.396 20.430 96.179    19.970  61.110    28.664  129.253   27.837  140.888 37.345 213.271 24.809 -72.38246      44.83460 
1 1 1 -6  1  35 o 195.155 23.640 109.633   24.230  95.750    44.124  115.626   28.992  166.091 47.282 197.789 28.133 -31.69781      55.01905 
1 1 1 -6  1  37 o 76.082  30.037 12.915    18.090  20.776    29.816  8.3355    22.756  93.176  37.945 76.722  32.352 16.45441       49.86416 
1 1 1 -6  1  39 o 281.291 18.497 228.440   27.739  209.566   39.529  246.752   38.936  256.203 29.305 282.920 25.959 -26.71619      39.14925 
1 1 1 -6  1  41 o 130.156 41.896 74.503    33.213  74.503    33.213  0.0000    0.0000  130.156 41.896 ?       ?      0.000000       41.89566 
1 1 1 -6  1  43 o 89.148  36.640 32.353    28.124  32.223    40.308  32.477    39.260  89.024  40.098 89.103  39.898 -0.7913971E-01 56.56556 
1 1 1 -6  1  45 o 100.721 43.751 74.938    43.934  78.849    60.875  70.687    63.470  93.004  44.297 90.068  43.501 2.935944       62.08562 
1 1 1 -6  1  47 o 83.135  37.757 58.429    36.625  38.357    52.214  77.870    51.386  71.794  35.619 81.316  39.242 -9.521828      52.99613 
1 1 1 -6  2  2  o 233.773 14.595 147.617   18.201  158.891   22.309  125.175   31.477  242.212 17.293 212.801 28.291 29.41078       33.15745 
1 1 1 -6  2  4  o 449.978 15.986 545.289   38.566  558.254   47.266  519.464   66.708  454.805 19.384 436.071 28.693 18.73352       34.62760 
1 1 1 -6  2  6  o 381.655 15.607 392.312   31.935  402.552   39.104  371.807   55.336  386.181 18.887 368.555 28.219 17.62579       33.95639 
1 1 1 -6  2  8  o 492.706 14.289 653.541   37.745  644.226   53.342  662.882   53.418  488.107 20.384 495.179 20.121 -7.071991      28.64188 
1 1 1 -6  2  10 o 591.570 17.671 944.545   56.047  952.164   68.674  929.350   96.988  592.953 21.602 581.826 31.206 11.12665       37.95377 
1 1 1 -6  2  12 o 279.982 13.091 210.878   19.651  206.673   27.791  215.083   27.790  276.020 18.894 281.672 18.506 -5.651978      26.44666 
1 1 1 -6  2  14 o 122.276 14.888 40.816    9.5585  48.249    13.172  32.549    13.892  132.421 19.107 107.540 24.625 24.88104       31.16807 
1 1 1 -6  2  16 o 442.941 20.043 528.542   47.598  505.137   67.343  551.905   67.284  430.849 29.329 450.731 27.982 -19.88199      40.53582 
1 1 1 -6  2  18 o 738.863 16.807 1467.49   66.578  1398.63   94.078  1536.57   94.232  720.221 24.364 755.094 23.277 -34.87292      33.69616 
1 1 1 -6  2  20 o 277.916 14.105 207.986   20.948  206.803   29.793  209.143   29.460  276.460 20.242 278.072 19.892 -1.612183      28.37988 
1 1 1 -6  2  22 o 357.829 20.518 346.100   39.198  362.672   55.336  329.409   55.534  364.953 28.508 347.385 30.116 17.56729       41.46874 
1 1 1 -6  2  24 o 338.661 14.339 308.413   26.034  303.279   37.112  313.388   36.531  334.621 20.790 340.282 20.113 -5.661560      28.92654 
1 1 1 -6  2  26 o 279.580 21.091 212.459   31.380  180.708   45.393  241.522   43.429  254.757 34.089 296.813 27.608 -42.05566      43.86668 
1 1 1 -6  2  28 o 232.492 18.911 147.162   23.367  184.347   41.229  129.564   28.362  257.539 30.449 216.792 24.851 40.74696       39.30272 
1 1 1 -6  2  30 o 291.026 19.275 231.486   29.905  212.983   36.004  272.651   53.701  277.469 24.452 310.629 32.739 -33.15979      40.86253 
1 1 1 -6  2  32 o 398.659 18.107 435.315   38.700  412.434   46.954  483.786   68.339  385.015 22.849 410.727 31.269 -25.71237      38.72809 
1 1 1 -6  2  34 o 188.807 24.030 102.133   23.773  101.118   31.245  103.528   36.635  182.880 33.085 181.386 38.844 1.494522       51.02411 
1 1 1 -6  2  36 o 367.319 23.064 387.766   45.190  427.599   67.992  356.246   60.483  370.801 34.601 339.535 33.670 31.26648       48.27928 
1 1 1 -6  2  38 o 100.141 32.447 32.582    19.896  34.597    29.164  30.829    27.211  102.864 38.786 98.815  37.415 4.048584       53.89115 
1 1 1 -6  2  40 o 100.348 36.527 37.611    25.466  -44.8763  44.933  76.643    30.909  69.984  34.402 139.380 39.537 -69.39597      52.40875 
1 1 1 -6  2  42 o 85.481  37.340 24.084    32.386  9.7999    37.691  64.387    63.312  79.910  37.024 103.294 47.903 -23.38339      60.54278 
1 1 1 -6  2  44 o 172.393 39.866 131.488   36.111  133.558   46.771  128.432   56.821  145.776 49.813 124.074 51.636 21.70190       71.74673 
1 1 1 -6  2  46 o 89.864  39.595 59.081    37.120  31.706    57.924  78.159    48.355  75.718  37.557 90.827  42.030 -15.10910      56.36550 
1 1 1 -6  3  1  o 416.810 13.390 467.364   29.921  461.753   42.322  472.971   42.309  413.546 19.088 418.576 18.853 -5.029907      26.82934 
1 1 1 -6  3  3  o 328.486 15.174 290.560   26.723  313.998   32.740  243.778   46.254  340.701 17.987 297.678 29.365 43.02274       34.43611 
1 1 1 -6  3  5  o 250.135 26.794 171.997   35.373  171.997   35.373  0.0000    0.0000  250.135 26.794 ?       ?      0.000000       26.79395 
1 1 1 -6  3  7  o 393.699 13.281 417.044   28.033  421.710   32.409  403.181   55.864  395.659 15.278 383.885 27.321 11.77316       31.30328 
1 1 1 -6  3  9  o 217.588 14.753 128.086   17.109  132.635   20.920  118.899   29.730  220.984 17.809 207.222 27.435 13.76224       32.70815 
1 1 1 -6  3  11 o 212.348 15.023 122.021   16.993  122.606   29.073  121.718   20.942  210.845 26.291 211.545 18.656 -0.6998596     32.23748 
1 1 1 -6  3  13 o 708.842 16.467 1352.93   62.581  1322.81   88.506  1383.05   88.501  699.269 23.608 715.157 23.082 -15.88818      33.01686 
1 1 1 -6  3  15 o 307.609 13.528 254.237   22.310  246.206   31.274  262.560   31.837  301.727 19.436 311.666 19.146 -9.939240      27.28244 
1 1 1 -6  3  17 o 689.157 16.370 1276.51   60.482  1260.55   85.457  1292.53   85.612  683.908 23.307 692.569 23.057 -8.661377      32.78447 
1 1 1 -6  3  19 o 295.746 13.811 234.891   21.899  234.629   31.005  235.152   30.934  294.649 19.741 294.988 19.673 -0.3381958     27.86975 
1 1 1 -6  3  21 o 311.751 16.217 261.995   27.011  284.580   47.144  250.958   32.956  323.330 27.456 304.605 20.296 18.72571       34.14339 
1 1 1 -6  3  23 o 296.724 14.528 236.721   23.111  223.703   32.971  249.296   32.405  287.143 21.575 303.448 20.031 -16.30518      29.44008 
1 1 1 -6  3  25 o 298.763 21.163 242.311   33.679  190.812   47.242  295.534   48.026  262.004 34.469 328.782 27.498 -66.77783      44.09357 
1 1 1 -6  3  27 o 135.030 24.825 51.058    17.309  44.044    31.119  54.200    20.829  126.788 40.527 138.407 28.998 -11.61916      49.83276 
1 1 1 -6  3  29 o 168.361 20.848 78.234    18.416  90.579    26.719  67.064    25.417  179.237 28.779 152.850 32.040 26.38744       43.06733 
1 1 1 -6  3  31 o 199.866 19.167 110.225   20.287  91.110    29.211  128.034   28.195  177.064 31.947 213.490 25.114 -36.42567      40.63608 
1 1 1 -6  3  33 o 279.534 20.031 217.433   29.820  206.497   36.651  238.852   51.292  269.234 25.703 283.386 34.470 -14.15155      42.99820 
1 1 1 -6  3  35 o 119.388 32.280 44.254    21.157  35.064    28.636  55.300    31.394  108.220 38.825 129.944 40.602 -21.72385      56.17725 
1 1 1 -6  3  37 o 109.348 35.051 39.007    23.265  58.325    41.282  30.016    28.164  126.390 46.431 100.041 38.020 26.34881       60.01123 
1 1 1 -6  3  39 o 147.431 35.797 77.128    28.011  36.281    48.020  98.196    34.487  103.448 45.321 162.003 39.956 -58.55534      60.41901 
1 1 1 -6  3  41 o 66.313  29.634 3.3027    21.545  20.220    30.117  -14.4302  30.834  83.727  36.297 66.130  31.506 17.59698       48.06297 
1 1 1 -6  3  43 o 82.475  36.016 23.185    30.108  8.6792    38.531  45.931    48.249  77.931  36.544 94.897  43.191 -16.96556      56.57619 
1 1 1 -6  3  45 o 72.299  33.597 14.614    31.386  -32.9958  45.196  58.961    43.620  64.101  32.016 91.829  41.504 -27.72807      52.41797 
1 1 1 -6  3  47 o 72.591  35.136 39.937    41.975  49.017    77.136  36.118    50.031  70.551  35.967 70.562  34.983 -0.1063538E-01 50.17395 
1 1 1 -6  4  2  o 195.455 12.670 103.176   13.206  110.354   18.764  96.132    18.588  201.505 17.544 187.779 18.713 13.72560       25.65094 
1 1 1 -6  4  4  o 250.875 18.083 170.725   24.158  149.292   34.081  192.371   34.250  232.537 27.893 265.177 24.363 -32.64000      37.03531 
1 1 1 -6  4  6  o 602.758 17.762 980.334   57.398  960.153   99.327  990.452   70.330  591.635 31.427 604.891 21.687 -13.25586      38.18317 
1 1 1 -6  4  8  o 171.760 15.281 80.080    13.925  80.635    17.070  78.975    24.073  171.809 18.841 168.233 27.651 3.575851       33.46019 
1 1 1 -6  4  10 o 232.105 14.573 145.542   18.043  120.917   30.602  158.663   22.338  209.110 28.000 242.009 17.331 -32.89903      32.92958 
1 1 1 -6  4  12 o 522.235 14.442 733.417   40.436  705.342   57.050  761.762   57.322  511.271 20.813 531.440 20.118 -20.16928      28.94689 
1 1 1 -6  4  14 o 226.860 13.622 138.760   16.492  146.240   23.093  130.974   23.560  232.345 18.697 219.590 20.240 12.75458       27.55387 
1 1 1 -6  4  16 o 387.063 16.011 402.595   33.226  380.770   57.373  413.609   40.757  374.321 28.810 392.098 19.388 -17.77692      34.72620 
1 1 1 -6  4  18 o 478.509 14.562 614.983   37.358  628.594   52.835  601.374   52.830  483.325 20.390 472.704 20.846 10.62140       29.15982 
1 1 1 -6  4  20 o 662.304 18.698 1180.19   66.394  1192.79   114.637 1173.83   81.444  663.434 32.230 659.894 23.020 3.540222       39.60663 
1 1 1 -6  4  22 o 131.401 23.117 47.960    15.691  44.599    19.161  54.803    27.339  125.820 29.000 139.225 36.265 -13.40467      46.43401 
1 1 1 -6  4  24 f 545.500 15.321 800.719   44.809  765.982   63.418  835.350   63.322  532.425 22.217 556.202 21.235 -23.77673      30.73283 
1 1 1 -6  4  26 o 211.642 20.087 122.119   22.520  119.066   27.416  128.450   39.484  207.978 25.095 213.472 35.764 -5.494583      43.69025 
1 1 1 -6  4  28 f 267.829 23.427 196.825   33.301  0.0000    0.0000  196.825   33.301  ?       ?      267.829 23.427 0.000000       23.42743 
1 1 1 -6  4  30 f 198.339 22.085 109.165   23.086  132.493   42.160  99.175    27.590  212.213 38.473 186.859 28.437 25.35336       47.84157 
1 1 1 -6  4  32 o 281.751 19.320 219.548   29.007  202.938   34.920  256.521   52.100  268.319 24.547 296.077 33.406 -27.75806      41.45472 
1 1 1 -6  4  34 o 208.866 21.516 123.545   23.749  112.089   30.030  142.676   38.804  194.269 29.782 216.124 34.661 -21.85475      45.69846 
1 1 1 -6  4  36 o 109.360 30.482 37.337    18.541  49.256    25.793  24.590    26.672  122.692 36.508 95.383  36.813 27.30941       51.84587 
1 1 1 -6  4  38 o 116.475 39.617 49.196    29.582  0.0000    0.0000  49.196    29.582  ?       ?      116.475 39.617 0.000000       39.61673 
1 1 1 -6  4  40 o 84.481  37.856 14.764    35.416  15.281    64.496  14.540    42.377  94.601  45.206 87.480  40.067 7.120872       60.40690 
1 1 1 -6  4  42 o 76.195  35.520 3.6366    35.527  3.6366    35.527  0.0000    0.0000  76.195  35.520 ?       ?      0.000000       35.51983 
1 1 1 -6  4  44 o 75.211  34.070 16.100    29.585  -33.1738  42.000  64.624    41.680  64.609  32.035 101.356 43.301 -36.74759      53.86303 
1 1 1 -6  4  46 o 72.288  35.534 22.018    47.931  0.0000    0.0000  22.018    47.931  ?       ?      72.288  35.534 0.000000       35.53401 
1 1 1 -6  5  1  o 391.875 13.523 413.117   28.412  444.987   40.313  381.661   40.051  406.082 18.517 375.358 19.974 30.72418       27.23616 
1 1 1 -6  5  3  o 687.556 16.296 1273.79   60.071  1235.68   84.951  1311.90   84.956  675.332 23.463 696.065 22.765 -20.73212      32.69179 
1 1 1 -6  5  5  o 283.060 14.805 216.254   22.390  237.426   27.499  174.620   38.563  296.260 17.389 251.621 29.124 44.63863       33.92056 
1 1 1 -6  5  7  o 371.546 13.515 371.252   26.921  388.892   38.015  353.504   38.130  379.715 18.674 361.367 19.756 18.34760       27.18459 
1 1 1 -6  5  9  o 432.012 15.349 502.153   35.550  524.411   43.591  457.950   61.429  441.123 18.432 409.853 28.126 31.26971       33.62755 
1 1 1 -6  5  11 o 280.085 13.461 210.792   20.214  211.313   23.371  209.246   40.272  279.882 15.638 276.690 27.513 3.192566       31.64668 
1 1 1 -6  5  13 o 202.388 16.092 110.789   17.317  92.893    29.137  120.562   21.532  182.820 30.824 210.796 19.266 -27.97639      36.34903 
1 1 1 -6  5  15 o 318.319 15.638 272.216   26.688  274.653   32.643  267.302   46.348  318.995 19.176 313.479 27.868 5.516357       33.82786 
1 1 1 -6  5  17 o 1141.29 21.813 3506.37   133.473 3505.47   188.711 3507.26   188.806 1138.75 30.910 1139.03 30.918 -0.2885742     43.71893 
1 1 1 -6  5  19 o 306.746 15.963 253.565   26.162  243.483   45.292  258.614   32.049  298.802 28.623 309.407 19.419 -10.60477      34.58849 
1 1 1 -6  5  21 o 303.230 20.517 248.900   33.159  207.428   45.561  295.609   48.351  274.737 31.501 329.374 27.636 -54.63724      41.90557 
1 1 1 -6  5  23 o 319.301 14.696 274.207   25.157  264.179   34.884  285.073   36.314  312.187 20.964 324.346 20.996 -12.15878      29.66966 
1 1 1 -6  5  25 o 752.244 17.294 1525.50   69.746  1441.97   98.533  1609.38   98.740  729.054 25.209 770.677 23.897 -41.62347      34.73550 
1 1 1 -6  5  27 o 154.835 24.368 66.783    19.560  71.125    34.222  64.676    23.837  156.606 40.468 150.910 30.511 5.695984       50.68088 
1 1 1 -6  5  29 o 359.186 17.951 350.639   34.569  380.362   60.877  336.494   41.996  367.928 31.154 349.827 22.511 18.10184       38.43641 
1 1 1 -6  5  31 o 197.307 18.318 107.509   19.157  118.053   28.128  98.386    26.162  203.799 26.361 185.493 27.107 18.30595       37.81144 
1 1 1 -6  5  33 o 108.602 30.071 35.353    18.107  22.671    23.835  52.660    27.845  94.256  35.158 129.846 37.744 -35.59078      51.58179 
1 1 1 -6  5  35 o 321.299 16.045 285.432   27.639  274.061   39.868  295.955   38.352  308.044 24.338 321.956 22.357 -13.91147      33.04854 
1 1 1 -6  5  37 o 137.809 33.119 62.166    24.166  0.0000    0.0000  62.166    24.166  ?       ?      137.809 33.119 0.000000       33.11938 
1 1 1 -6  5  39 o 138.719 29.479 63.737    21.248  46.768    33.367  75.313    27.559  108.609 41.358 144.492 35.766 -35.88314      54.67810 
1 1 1 -6  5  41 o 72.823  34.864 -13.9068  38.748  6.7614    69.202  -23.3459  46.767  91.107  44.334 75.119  36.529 15.98828       57.44462 
1 1 1 -6  5  43 o 76.383  33.089 17.242    24.993  6.0514    42.797  23.034    30.789  78.091  37.180 82.021  36.103 -3.929771      51.82460 
1 1 1 -6  5  45 o 78.827  34.048 28.447    26.308  113.683   44.127  -18.5581  32.769  121.223 47.192 59.893  29.429 61.33024       55.61576 
1 1 1 -6  6  2  o 369.791 13.380 367.546   26.528  390.643   37.690  344.872   37.344  380.775 18.462 357.134 19.578 23.64066       26.91028 
1 1 1 -6  6  4  o 227.135 13.029 139.093   15.800  154.729   22.421  123.671   22.267  239.066 17.617 213.290 19.695 25.77589       26.42484 
1 1 1 -6  6  6  o 313.875 13.073 264.714   21.999  287.502   31.256  242.344   30.968  326.282 17.937 299.280 19.405 27.00192       26.42486 
1 1 1 -6  6  8  o 353.524 27.367 340.097   51.465  340.097   51.465  0.0000    0.0000  353.524 27.367 ?       ?      0.000000       27.36657 
1 1 1 -6  6  10 o 199.499 14.899 107.532   15.821  128.819   19.801  69.959    26.307  218.219 17.061 157.892 32.170 60.32735       36.41378 
1 1 1 -6  6  12 o 75.756  21.245 15.869    8.9780  10.731    11.049  25.853    15.402  68.022  24.147 96.877  28.046 -28.85541      37.00904 
1 1 1 -6  6  14 o 487.797 16.844 639.352   44.051  639.352   44.051  0.0000    0.0000  487.797 16.844 ?       ?      0.000000       16.84391 
1 1 1 -6  6  16 o 448.551 14.263 540.284   34.300  496.160   48.197  585.564   48.824  429.412 20.935 466.613 19.517 -37.20148      28.62146 
1 1 1 -6  6  18 o 694.440 18.868 1297.36   70.247  1200.52   121.245 1346.29   86.187  664.487 34.149 706.845 22.743 -42.35760      41.02908 
1 1 1 -6  6  20 o 100.127 29.360 27.626    16.783  12.300    23.160  44.573    24.355  87.040  34.104 126.099 34.859 -39.05947      48.76760 
1 1 1 -6  6  22 o 392.220 16.786 414.090   35.297  409.014   42.921  424.694   62.037  388.857 20.662 394.443 29.551 -5.586029      36.05771 
1 1 1 -6  6  24 o 478.059 14.918 615.091   38.235  592.564   54.037  637.676   54.108  468.213 21.527 485.848 20.773 -17.63409      29.91501 
1 1 1 -6  6  26 o 108.612 28.388 33.435    16.715  38.550    31.086  31.354    19.825  120.650 40.614 106.271 32.094 14.37915       51.76395 
1 1 1 -6  6  28 f 519.334 18.025 732.281   50.188  785.783   87.155  705.739   61.387  530.787 30.759 508.023 22.538 22.76395       38.13232 
1 1 1 -6  6  30 o 417.040 15.698 473.138   35.099  469.480   50.358  476.593   48.947  411.463 22.919 415.075 22.075 -3.611511      31.82087 
1 1 1 -6  6  32 o 267.245 26.603 204.374   37.610  204.374   37.610  0.0000    0.0000  267.245 26.603 ?       ?      0.000000       26.60300 
1 1 1 -6  6  34 o 501.690 15.968 693.816   42.949  736.254   61.812  654.204   59.720  509.789 22.616 479.854 23.213 29.93512       32.40882 
1 1 1 -6  6  36 o 256.047 27.354 196.984   36.969  173.615   52.542  219.895   52.025  220.107 46.006 257.538 38.891 -37.43095      60.24163 
1 1 1 -6  6  38 o 81.050  32.410 17.537    21.317  -23.2525  38.506  35.563    25.598  73.098  34.930 101.028 36.645 -27.92998      50.62615 
1 1 1 -6  6  40 o 71.709  31.248 8.1956    22.557  21.102    35.134  -0.8548   29.421  87.798  38.608 72.082  33.151 15.71604       50.88738 
1 1 1 -6  6  42 o 77.721  35.707 9.3509    34.014  -1.9322   42.131  30.472    57.642  77.237  36.805 92.108  43.649 -14.87121      57.09517 
1 1 1 -6  6  44 o 52.933  25.836 -21.7376  24.010  48.912    48.083  -45.2049  27.712  89.093  41.462 49.919  24.953 39.17347       48.39181 
1 1 1 -6  7  1  o 289.757 14.715 226.141   22.784  247.245   28.076  185.442   38.990  302.738 17.371 260.442 28.383 42.29626       33.27667 
1 1 1 -6  7  3  o 1101.67 24.337 3273.37   143.742 3389.49   176.125 3041.76   248.748 1119.50 29.344 1054.74 43.989 64.76086       52.87838 
1 1 1 -6  7  5  o 486.039 16.503 634.971   43.003  660.293   52.766  584.882   74.211  495.336 19.869 464.099 29.986 31.23724       35.97119 
1 1 1 -6  7  7  o 534.259 20.426 768.034   58.506  873.874   83.015  663.584   82.469  569.055 27.210 494.394 31.274 74.66083       41.45456 
1 1 1 -6  7  9  o 254.532 15.259 174.632   20.726  187.725   25.475  148.996   35.648  263.648 18.133 233.150 29.156 30.49718       34.33438 
1 1 1 -6  7  11 o 555.867 17.259 830.233   51.436  815.594   63.011  859.471   89.049  550.604 21.345 563.535 29.577 -12.93182      36.47522 
1 1 1 -6  7  13 o 904.484 21.710 2201.16   105.276 2193.68   128.931 2216.13   182.355 902.098 26.658 904.210 37.617 -2.111389      46.10500 
1 1 1 -6  7  15 o 886.299 18.478 2111.87   87.803  2044.08   101.325 2316.22   175.921 871.479 21.687 924.575 35.490 -53.09644      41.59135 
1 1 1 -6  7  17 o 563.954 21.626 856.609   65.387  836.378   92.410  876.893   92.533  554.994 31.184 568.481 30.471 -13.48694      43.59950 
1 1 1 -6  7  19 o 361.965 16.521 352.373   32.060  346.943   38.979  363.729   56.368  358.288 20.376 365.388 29.013 -7.100586      35.45345 
1 1 1 -6  7  21 o 308.605 16.960 257.111   27.954  263.781   33.851  242.809   49.565  312.118 20.340 297.251 31.586 14.86771       37.56839 
1 1 1 -6  7  23 o 414.288 14.811 461.856   32.897  434.087   46.544  489.577   46.503  400.177 21.776 425.816 20.370 -25.63937      29.81824 
1 1 1 -6  7  25 o 285.415 18.106 220.954   27.563  251.292   48.407  206.398   33.529  301.431 30.367 274.822 22.967 26.60913       38.07397 
1 1 1 -6  7  27 o 94.730  28.787 25.014    15.913  4.1558    25.382  38.520    20.425  81.517  34.259 115.821 31.885 -34.30356      46.80106 
1 1 1 -6  7  29 o 398.499 15.363 431.332   32.823  418.831   46.886  443.347   45.965  389.151 22.569 401.000 21.458 -11.84848      31.14211 
1 1 1 -6  7  31 o 303.377 23.967 259.051   38.665  259.051   38.665  0.0000    0.0000  303.377 23.967 ?       ?      0.000000       23.96700 
1 1 1 -6  7  33 o 260.779 18.004 189.148   25.018  197.609   37.703  182.491   33.441  260.577 27.398 251.916 25.094 8.661148       37.15332 
1 1 1 -6  7  35 o 224.806 22.956 146.411   27.280  108.307   47.570  165.083   33.299  170.364 49.279 235.732 26.826 -65.36787      56.10764 
1 1 1 -6  7  37 o 346.140 21.035 349.919   38.851  278.227   68.004  384.657   47.337  264.556 49.772 357.231 24.871 -92.67459      55.64030 
1 1 1 -6  7  39 o 192.482 27.007 118.334   27.103  152.200   42.295  94.738    35.304  199.507 40.915 154.124 41.709 45.38249       58.42716 
1 1 1 -6  7  41 o 115.548 38.028 54.606    27.287  41.800    45.032  62.037    34.302  98.819  43.572 116.673 42.405 -17.85339      60.80056 
1 1 1 -6  7  43 o 182.455 35.015 131.566   33.006  108.435   51.038  148.195   43.273  121.911 49.645 170.643 46.176 -48.73151      67.80033 
1 1 1 -6  7  45 o 129.516 47.492 129.207   43.162  152.013   113.285 125.334   46.683  83.958  42.870 118.305 47.730 -34.34721      64.15614 
1 1 1 -6  8  2  o 257.594 13.250 178.579   18.237  176.101   25.925  181.006   25.660  255.250 19.083 258.851 18.614 -3.601028      26.65776 
1 1 1 -6  8  4  f 251.587 13.077 170.350   17.578  169.579   25.006  171.104   24.715  250.490 18.756 251.653 18.447 -1.163544      26.30746 
1 1 1 -6  8  6  o 612.920 17.648 1009.35   57.993  1082.82   100.703 972.901   70.936  633.516 29.649 601.370 22.002 32.14600       36.92086 
1 1 1 -6  8  8  o 531.249 14.598 757.726   41.578  758.328   58.829  757.126   58.771  531.046 20.663 530.626 20.659 0.4205933      29.21880 
1 1 1 -6  8  10 o 86.787  18.436 21.012    8.3135  9.3189    11.360  34.495    12.199  66.223  24.352 111.420 21.196 -45.19714      32.28465 
1 1 1 -6  8  12 o 1329.31 28.048 4766.15   199.896 4665.09   244.810 4968.32   346.262 1312.97 34.778 1349.30 47.866 -36.33142      59.16603 
1 1 1 -6  8  14 o 614.184 15.652 1013.41   51.539  1002.86   59.510  1045.08   103.089 610.746 18.174 621.741 30.927 -10.99445      35.87144 
1 1 1 -6  8  16 o 439.332 29.178 524.192   68.334  0.0000    0.0000  524.192   68.334  ?       ?      439.332 29.178 0.000000       29.17751 
1 1 1 -6  8  18 o 615.584 22.272 1021.91   73.505  882.584   103.723 1162.47   104.182 568.815 34.170 655.047 29.665 -86.23273      45.25094 
1 1 1 -6  8  20 o 364.272 16.557 357.077   32.336  357.077   32.336  0.0000    0.0000  364.272 16.557 ?       ?      0.000000       16.55723 
1 1 1 -6  8  22 o 610.357 15.912 1003.03   52.070  952.867   73.312  1054.10   73.969  593.474 23.041 624.433 22.095 -30.95984      31.92290 
1 1 1 -6  8  24 o 748.958 19.924 1518.08   80.003  1307.42   138.385 1623.83   98.048  685.729 37.787 773.106 23.655 -87.37604      44.58081 
1 1 1 -6  8  26 o 505.055 17.551 691.534   47.523  666.747   81.505  704.302   58.496  489.127 31.244 508.286 21.466 -19.15857      37.90743 
1 1 1 -6  8  28 o 197.258 17.711 106.872   18.531  110.368   25.988  103.257   26.430  198.197 25.014 191.077 26.514 7.120651       36.45151 
1 1 1 -6  8  30 o 277.527 22.764 215.526   33.572  215.526   33.572  0.0000    0.0000  277.527 22.764 ?       ?      0.000000       22.76351 
1 1 1 -6  8  32 o 179.710 23.335 92.325    21.952  122.471   35.753  74.083    27.812  200.732 34.464 155.282 34.320 45.44980       48.63764 
1 1 1 -6  8  34 o 197.281 24.122 113.265   24.982  92.275    44.657  122.826   30.140  159.639 48.160 202.495 28.555 -42.85558      55.98927 
1 1 1 -6  8  36 o 222.116 24.794 147.979   29.022  197.684   58.878  132.025   33.356  223.896 50.279 203.295 31.632 20.60071       59.40205 
1 1 1 -6  8  38 o 60.749  27.813 -5.6891   20.392  42.019    35.918  -28.3824  24.772  105.442 42.103 55.640  26.946 49.80207       49.98784 
1 1 1 -6  8  40 o 152.492 34.926 84.454    27.940  128.182   44.933  56.889    35.675  167.945 47.680 113.785 42.899 54.15946       64.13844 
1 1 1 -6  8  42 o 109.282 44.179 65.174    40.081  59.695    50.664  74.339    65.526  101.247 45.330 102.872 48.051 -1.625549      66.05790 
1 1 1 -6  8  44 o 86.528  39.122 45.040    38.794  47.692    96.380  44.528    42.378  81.987  41.641 85.326  39.436 -3.339180      57.35139 
1 1 1 -6  9  1  o 558.307 15.040 836.897   45.019  822.949   63.654  850.856   63.679  553.183 21.463 562.513 21.115 -9.330139      30.10803 
1 1 1 -6  9  3  o 191.945 13.205 99.350    13.507  102.894   19.195  95.873    19.009  194.802 18.605 187.911 19.136 6.890839       26.68943 
1 1 1 -6  9  5  o 396.199 13.386 421.322   28.434  437.437   40.315  405.371   40.109  403.467 18.637 388.366 19.263 15.10159       26.80344 
1 1 1 -6  9  7  f 427.610 13.946 490.848   31.972  499.548   45.287  482.203   45.143  431.089 19.594 423.521 19.881 7.567596       27.91430 
1 1 1 -6  9  9  o 539.285 17.229 781.386   49.813  775.652   61.022  792.837   86.238  536.990 21.196 541.189 29.837 -4.199341      36.59950 
1 1 1 -6  9  11 o 302.935 15.903 247.203   25.738  232.837   44.111  254.618   31.692  292.356 28.505 307.106 19.347 -14.75003      34.45066 
1 1 1 -6  9  13 o 590.232 21.993 938.140   69.595  949.812   98.056  926.292   98.793  591.774 31.014 584.237 31.659 7.537170       44.31875 
1 1 1 -6  9  15 o 337.968 15.756 307.007   28.549  290.040   34.943  341.069   49.509  327.629 19.989 354.439 26.240 -26.81067      32.98647 
1 1 1 -6  9  17 o 690.333 18.987 1283.11   70.273  1312.19   86.105  1225.12   121.607 697.391 23.029 670.515 33.939 26.87634       41.01452 
1 1 1 -6  9  19 o 789.449 20.341 1680.47   86.092  1680.47   86.092  0.0000    0.0000  789.449 20.341 ?       ?      0.000000       20.34079 
1 1 1 -6  9  21 o 336.580 16.931 305.999   30.455  303.001   37.376  311.923   52.534  334.247 20.963 337.309 29.342 -3.061676      36.06118 
1 1 1 -6  9  23 f 337.347 30.838 314.809   55.157  0.0000    0.0000  314.809   55.157  ?       ?      337.347 30.838 0.000000       30.83791 
1 1 1 -6  9  25 o 170.981 20.470 80.672    18.391  83.410    25.948  77.908    26.070  171.495 29.272 165.236 30.554 6.258774       42.31338 
1 1 1 -6  9  27 o 377.467 15.265 386.628   30.892  398.165   44.342  375.749   43.060  380.069 21.853 369.183 21.852 10.88611       30.90469 
1 1 1 -6  9  29 o 64.326  27.882 -0.8327   17.765  -0.8327   17.765  0.0000    0.0000  64.326  27.882 ?       ?      0.000000       27.88166 
1 1 1 -6  9  31 o 300.873 15.974 248.894   25.674  199.732   35.024  305.997   37.747  264.642 24.981 330.486 21.419 -65.84390      32.90602 
1 1 1 -6  9  33 o 157.345 26.308 73.251    21.409  39.647    35.120  93.123    27.008  114.168 42.658 175.684 29.734 -61.51640      51.99846 
1 1 1 -6  9  35 o 94.810  30.881 28.198    18.012  18.858    25.906  36.937    25.060  87.826  35.513 105.921 36.453 -18.09501      50.89236 
1 1 1 -6  9  37 o 142.514 34.114 69.707    25.719  71.176    37.464  68.398    35.369  132.174 44.585 131.066 43.303 1.108337       62.15300 
1 1 1 -6  9  39 o 203.849 24.869 129.357   26.616  118.781   43.921  135.494   33.460  164.764 47.263 199.772 32.346 -35.00792      57.27161 
1 1 1 -6  9  41 o 334.501 35.916 421.588   63.401  351.335   93.247  481.989   86.462  201.083 70.254 308.194 54.312 -107.1118      88.80010 
1 1 1 -6  9  43 o 92.910  40.082 48.462    36.368  0.0000    0.0000  48.462    36.368  ?       ?      92.910  40.082 0.000000       40.08186 
1 1 1 -6  10 2  o 273.994 19.213 202.807   28.045  0.0000    0.0000  202.807   28.045  ?       ?      273.994 19.213 0.000000       19.21288 
1 1 1 -6  10 4  o 326.025 15.477 285.471   27.053  261.631   46.732  297.487   33.177  310.148 28.421 332.149 18.707 -22.00067      34.02485 
1 1 1 -6  10 6  o 287.488 15.651 222.650   24.032  202.467   41.253  233.019   29.568  272.442 28.674 293.807 18.871 -21.36496      34.32621 
1 1 1 -6  10 8  o 720.661 19.300 1396.64   74.571  1380.59   91.313  1428.78   129.208 715.918 23.790 726.654 33.166 -10.73578      40.81614 
1 1 1 -6  10 10 o 649.039 15.985 1131.89   55.622  1117.50   78.619  1146.32   78.705  644.120 22.766 652.409 22.501 -8.289612      32.00951 
1 1 1 -6  10 12 o 647.550 18.492 1127.93   64.200  1182.73   111.301 1100.60   78.592  660.960 31.409 639.067 22.938 21.89313       38.89332 
1 1 1 -6  10 14 o 801.381 17.604 1727.48   75.636  1695.84   106.815 1759.30   107.116 792.597 25.137 807.375 24.746 -14.77826      35.27359 
1 1 1 -6  10 16 o 342.289 16.324 315.117   29.956  315.117   29.956  0.0000    0.0000  342.289 16.324 ?       ?      0.000000       16.32386 
1 1 1 -6  10 18 o 534.672 17.469 769.812   50.076  769.812   50.076  0.0000    0.0000  534.672 17.469 ?       ?      0.000000       17.46924 
1 1 1 -6  10 20 o 359.616 17.077 348.630   32.925  337.842   40.195  370.627   57.399  352.825 21.350 367.664 29.365 -14.83969      36.30556 
1 1 1 -6  10 22 o 562.877 18.158 857.010   54.795  843.112   66.876  885.400   95.579  556.992 22.395 566.176 31.614 -9.183838      38.74255 
1 1 1 -6  10 24 o 391.023 17.525 414.774   36.738  384.548   45.055  474.751   63.466  374.422 22.549 413.292 28.823 -38.86975      36.59584 
1 1 1 -6  10 26 o 136.067 22.347 52.145    15.736  44.096    18.072  77.376    31.998  123.470 27.952 161.099 37.713 -37.62862      46.94267 
1 1 1 -6  10 28 o 201.990 44.714 127.793   47.143  127.793   47.143  0.0000    0.0000  201.990 44.714 ?       ?      0.000000       44.71404 
1 1 1 -6  10 30 f 302.993 19.690 255.274   31.811  255.638   37.172  254.281   61.491  301.131 23.203 286.041 41.293 15.08994       47.36517 
1 1 1 -6  10 32 o 113.601 30.510 39.575    18.975  26.062    29.504  49.107    24.780  100.014 38.685 124.586 35.422 -24.57222      52.45227 
1 1 1 -6  10 34 o 194.982 21.882 110.580   22.479  92.235    32.709  126.999   30.945  165.751 37.664 203.238 29.242 -37.48740      47.68273 
1 1 1 -6  10 36 o 55.771  26.687 -22.5713  22.642  26.171    40.918  -44.0832  27.183  98.963  42.604 54.234  26.679 44.72831       50.26845 
1 1 1 -6  10 38 o 103.963 35.223 38.330    23.383  72.596    35.892  13.061    30.822  132.986 43.606 83.388  36.427 49.59851       56.81926 
1 1 1 -6  10 40 o 84.968  39.000 13.773    40.447  32.713    50.207  -21.2475  68.271  95.640  43.734 85.529  42.114 10.11125       60.71392 
1 1 1 -6  10 42 o 109.548 42.439 65.986    35.553  38.214    60.776  80.433    43.836  88.608  42.739 111.763 45.817 -23.15527      62.65651 
1 1 1 -6  11 1  f 1208.19 22.744 3931.29   147.326 3918.98   208.353 3943.60   208.349 1203.45 32.292 1207.26 32.190 -3.810791      45.59580 
1 1 1 -6  11 3  o 1212.50 22.775 3959.40   148.049 3880.39   209.357 4038.43   209.390 1197.43 32.611 1221.80 31.966 -24.36755      45.66515 
1 1 1 -6  11 5  o 928.382 22.064 2320.71   109.822 2389.06   134.543 2184.25   190.107 940.996 26.669 896.290 39.562 44.70569       47.71124 
1 1 1 -6  11 7  o 498.968 14.667 668.757   39.235  661.587   55.481  675.931   55.492  495.770 20.873 501.138 20.654 -5.367249      29.36454 
1 1 1 -6  11 9  o 145.731 15.742 57.732    12.104  71.719    17.113  43.729    17.123  162.010 20.136 124.966 26.385 37.04391       33.19075 
1 1 1 -6  11 11 o 713.088 19.279 1368.48   73.705  1344.46   127.416 1380.57   90.357  703.942 33.761 715.536 23.554 -11.59351      41.16547 
1 1 1 -6  11 13 o 209.509 16.997 118.833   18.927  116.019   22.890  124.916   33.655  206.460 20.970 212.645 30.384 -6.185257      36.91812 
1 1 1 -6  11 15 o 214.043 15.456 123.844   17.618  125.869   24.059  121.504   25.870  215.024 21.143 210.877 23.270 4.147324       31.44073 
1 1 1 -6  11 17 f 160.141 23.639 70.835    19.686  70.835    19.686  0.0000    0.0000  160.141 23.639 ?       ?      0.000000       23.63926 
1 1 1 -6  11 19 o 287.566 16.711 223.789   25.652  208.935   31.203  254.759   45.055  277.019 21.170 304.441 27.915 -27.42288      35.03442 
1 1 1 -6  11 21 o 139.859 22.672 54.553    16.418  63.530    20.041  36.231    28.631  150.436 25.775 116.291 38.977 34.14452       46.72912 
1 1 1 -6  11 23 o 468.408 15.051 593.618   37.798  593.222   43.566  594.823   76.016  467.534 17.380 461.181 30.923 6.353149       35.47289 
1 1 1 -6  11 25 o 195.065 17.422 104.415   18.028  113.002   21.204  82.023    34.242  202.324 19.802 165.334 39.222 36.99007       43.93741 
1 1 1 -6  11 27 o 230.807 24.849 150.174   30.264  147.094   43.645  153.027   42.002  221.451 38.137 227.448 35.613 -5.997116      52.17981 
1 1 1 -6  11 29 o 281.989 16.076 218.427   24.204  219.955   28.155  214.101   47.379  281.767 18.745 268.701 33.625 13.06598       38.49682 
1 1 1 -6  11 31 o 68.655  26.605 9.8537    13.975  17.703    15.566  -22.7676  31.734  81.080  28.674 70.824  33.196 10.25621       43.86549 
1 1 1 -6  11 33 o 188.683 20.991 102.685   20.874  117.467   29.767  88.382    29.281  195.883 29.239 165.832 34.073 30.05054       44.89919 
1 1 1 -6  11 35 o 226.010 29.226 159.385   34.584  149.097   53.549  166.747   45.299  190.670 51.272 218.590 40.132 -27.91920      65.11023 
1 1 1 -6  11 37 o 258.011 21.017 195.931   28.820  183.887   42.767  205.949   39.007  232.314 35.460 254.650 29.093 -22.33607      45.86779 
1 1 1 -6  11 39 o 220.367 38.296 181.246   43.603  123.288   61.386  240.267   61.946  140.844 55.418 227.901 51.865 -87.05664      75.90201 
1 1 1 -6  11 41 o 60.957  29.787 -26.9850  32.186  5.5473    52.181  -46.9627  40.891  81.318  39.315 62.708  31.180 18.60964       50.17854 
1 1 1 -6  12 2  o 759.400 19.661 1551.89   80.046  1553.85   98.076  1547.99   138.530 759.143 24.097 755.498 34.201 3.644775       41.83771 
1 1 1 -6  12 4  o 386.188 20.019 402.475   41.307  402.475   41.307  0.0000    0.0000  386.188 20.019 ?       ?      0.000000       20.01934 
1 1 1 -6  12 6  o 188.735 17.722 96.634    17.722  93.692    21.404  103.051   31.607  185.208 21.985 192.616 31.710 -7.408173      38.58617 
1 1 1 -6  12 8  o 814.547 25.334 1790.99   110.633 1832.66   156.335 1749.20   156.583 821.225 35.508 802.028 36.415 19.19708       50.86137 
1 1 1 -6  12 10 o 630.990 18.363 1071.55   62.121  1080.72   76.009  1053.10   107.808 633.074 22.394 622.111 32.435 10.96326       39.41508 
1 1 1 -6  12 12 o 311.211 16.489 261.292   27.413  256.432   32.964  272.191   49.363  307.818 20.085 315.491 29.527 -7.673126      35.71050 
1 1 1 -6  12 14 o 576.569 21.912 897.945   67.735  897.945   67.735  0.0000    0.0000  576.569 21.912 ?       ?      0.000000       21.91241 
1 1 1 -6  12 16 o 236.355 14.903 151.010   18.788  134.068   25.713  170.415   27.519  221.512 21.940 250.224 20.699 -28.71162      30.16311 
1 1 1 -6  12 18 o 283.785 14.970 217.744   22.696  217.206   26.001  219.467   46.520  283.046 17.216 280.913 31.427 2.132843       35.83333 
1 1 1 -6  12 20 o 117.815 29.263 39.763    18.401  35.619    25.048  44.621    27.121  113.507 36.367 125.061 37.487 -11.55370      52.22864 
1 1 1 -6  12 22 o 370.060 17.017 371.686   33.762  370.305   40.920  374.631   59.749  367.684 20.844 365.302 30.795 2.382324       37.18602 
1 1 1 -6  12 24 o 142.619 29.136 58.853    21.525  58.853    21.525  0.0000    0.0000  142.619 29.136 ?       ?      0.000000       29.13590 
1 1 1 -6  12 26 o 296.933 19.136 243.000   30.301  248.251   38.302  234.218   49.536  297.730 24.205 283.942 33.165 13.78857       41.05859 
1 1 1 -6  12 28 o 238.433 16.955 156.746   21.533  149.492   24.832  178.734   43.234  231.478 20.212 245.271 33.774 -13.79218      39.36022 
1 1 1 -6  12 30 o 161.421 20.407 74.007    17.266  84.266    20.010  44.102    34.163  171.506 22.288 118.970 42.436 52.53604       47.93286 
1 1 1 -6  12 32 f 94.110  37.367 22.688    28.145  51.518    49.015  8.5067    34.376  123.107 49.175 88.459  38.561 34.64799       62.49074 
1 1 1 -6  12 34 o 148.308 27.849 67.980    21.330  67.980    21.330  0.0000    0.0000  148.308 27.849 ?       ?      0.000000       27.84883 
1 1 1 -6  12 36 o 64.626  25.988 8.4128    13.790  3.2975    16.677  19.476    24.525  63.172  27.198 85.917  34.619 -22.74477      44.02520 
1 1 1 -6  12 38 o 80.926  37.604 0.0000    39.307  0.0000    0.0000  0.0000    39.307  ?       ?      80.926  37.604 0.000000       37.60366 
1 1 1 -6  12 40 o 88.001  38.028 28.942    32.849  24.608    55.483  31.281    40.762  89.479  42.525 90.123  40.483 -0.6446915     58.71275 
1 1 1 -6  13 1  o 342.797 16.199 316.026   29.771  333.906   36.562  280.844   51.287  351.576 19.473 320.500 30.204 31.07611       35.93711 
1 1 1 -6  13 3  o 560.104 15.274 843.380   45.865  827.435   64.908  859.280   64.817  553.954 21.855 564.580 21.414 -10.62524      30.59730 
1 1 1 -6  13 5  o 355.709 14.139 340.036   26.964  317.218   38.219  362.649   38.046  342.427 20.918 366.429 19.436 -24.00208      28.55407 
1 1 1 -6  13 7  o 540.393 21.576 787.706   62.510  0.0000    0.0000  787.706   62.510  ?       ?      540.393 21.576 0.000000       21.57604 
1 1 1 -6  13 9  o 180.361 18.984 88.619    18.081  84.120    21.684  98.886    32.755  174.860 23.745 187.760 33.781 -12.90076      41.29116 
1 1 1 -6  13 11 o 327.986 14.181 289.364   24.936  257.027   35.353  321.381   35.177  307.688 21.567 344.653 19.112 -36.96497      28.81693 
1 1 1 -6  13 13 o 320.475 16.306 277.522   27.924  272.641   34.251  287.197   48.223  316.952 20.262 323.553 28.078 -6.600677      34.62552 
1 1 1 -6  13 15 o 557.310 15.263 837.453   45.606  796.217   64.242  879.347   64.754  541.690 22.121 569.546 21.206 -27.85535      30.64366 
1 1 1 -6  13 17 o 114.391 23.008 36.877    13.622  31.420    15.729  53.250    27.244  105.130 27.567 135.822 36.592 -30.69205      45.81362 
1 1 1 -6  13 19 o 416.629 14.533 468.993   32.463  443.206   37.443  547.060   65.148  404.359 17.272 444.731 27.458 -40.37186      32.43807 
1 1 1 -6  13 21 o 186.999 25.085 97.975    24.515  97.975    24.515  0.0000    0.0000  186.999 25.085 ?       ?      0.000000       25.08529 
1 1 1 -6  13 23 o 99.083  33.827 26.446    21.569  26.446    21.569  0.0000    0.0000  99.083  33.827 ?       ?      0.000000       33.82728 
1 1 1 -6  13 25 o 106.439 26.184 32.946    14.839  28.160    17.345  46.011    28.658  98.903  30.054 124.217 38.789 -25.31419      49.06971 
1 1 1 -6  13 27 o 150.211 24.222 64.790    18.843  56.492    22.177  86.332    35.732  137.444 30.853 165.524 40.578 -28.07980      50.97501 
1 1 1 -6  13 29 o 126.217 26.666 47.470    17.479  39.611    20.201  70.888    34.871  113.445 31.887 146.109 42.171 -32.66383      52.86957 
1 1 1 -6  13 31 o 95.892  30.287 28.079    17.420  14.797    20.716  60.144    32.188  81.174  32.113 132.770 41.051 -51.59502      52.11951 
1 1 1 -6  13 33 o 84.258  28.557 20.955    15.370  16.307    17.165  39.764    34.530  79.029  29.765 110.656 42.088 -31.62698      51.54934 
1 1 1 -6  13 35 o 174.618 36.268 103.305   32.844  126.186   45.640  78.727    47.301  180.351 46.798 136.626 49.775 43.72528       68.31958 
1 1 1 -6  13 37 o 96.774  33.041 32.225    20.577  44.907    23.039  -17.8039  45.758  111.861 34.754 79.549  38.031 32.31242       51.51886 
1 1 1 -6  13 39 o 121.865 51.621 100.367   58.362  100.367   58.362  0.0000    0.0000  121.865 51.621 ?       ?      0.000000       51.62143 
1 1 1 -6  14 2  o 499.417 14.878 671.237   39.837  646.579   56.401  695.785   56.276  489.114 21.508 507.540 20.681 -18.42642      29.83844 
1 1 1 -6  14 4  o 157.324 23.701 68.468    19.371  0.0000    0.0000  68.468    19.371  ?       ?      157.324 23.701 0.000000       23.70107 
1 1 1 -6  14 6  o 390.629 14.408 410.647   30.174  397.460   42.644  423.871   42.703  382.935 20.850 395.620 20.200 -12.68503      29.03022 
1 1 1 -6  14 8  o 795.641 20.221 1711.12   86.254  1674.03   105.495 1785.91   149.807 785.234 25.059 806.416 34.650 -21.18213      42.76183 
1 1 1 -6  14 10 o 262.538 16.613 186.662   23.263  174.107   28.916  209.696   39.165  252.623 21.556 276.201 26.786 -23.57773      34.38208 
1 1 1 -6  14 12 o 119.700 19.695 39.785    12.199  45.040    17.828  35.158    16.729  126.084 27.175 111.259 28.053 14.82549       39.05666 
1 1 1 -6  14 14 o 306.375 14.297 253.167   23.485  261.934   33.271  244.463   33.153  310.080 20.122 299.355 20.786 10.72559       28.93033 
1 1 1 -6  14 16 o 185.732 22.256 95.336    21.720  0.0000    0.0000  95.336    21.720  ?       ?      185.732 22.256 0.000000       22.25564 
1 1 1 -6  14 18 o 107.669 25.125 33.104    14.238  29.529    25.011  34.818    17.319  105.831 36.418 110.108 28.953 -4.276947      46.52443 
1 1 1 -6  14 20 o 303.013 18.713 251.155   30.251  232.839   38.021  282.755   49.940  289.549 24.730 316.924 29.739 -27.37485      38.67790 
1 1 1 -6  14 22 o 132.211 23.907 49.706    16.322  51.029    19.221  46.285    30.907  132.838 27.877 125.862 40.405 6.975800       49.08841 
1 1 1 -6  14 24 o 142.639 22.279 57.581    16.480  51.747    19.119  74.448    32.509  133.308 27.657 155.895 38.994 -22.58730      47.80665 
1 1 1 -6  14 26 o 81.397  28.721 17.383    15.609  12.096    18.344  31.251    29.712  77.587  30.365 107.049 39.380 -29.46216      49.72795 
1 1 1 -6  14 28 o 176.276 20.309 88.037    18.842  104.924   21.802  38.200    37.453  191.995 21.553 114.673 43.781 77.32183       48.79875 
1 1 1 -6  14 30 o 195.674 60.493 160.242   69.898  160.242   69.898  0.0000    0.0000  195.674 60.493 ?       ?      0.000000       60.49259 
1 1 1 -6  14 32 o 199.539 20.529 114.171   21.649  105.264   25.042  140.521   43.072  188.342 25.452 204.001 40.806 -15.65913      48.09312 
1 1 1 -6  14 34 o 108.970 42.058 40.083    34.814  -42.5003  68.250  69.129    40.476  91.405  44.375 133.238 46.301 -41.83289      64.13203 
1 1 1 -6  14 36 o 118.563 42.542 56.257    34.383  39.895    55.254  66.596    43.923  106.492 47.533 122.910 47.296 -16.41799      67.05422 
1 1 1 -6  15 1  o 197.712 15.109 105.990   15.894  87.584    22.270  125.098   22.691  177.955 23.951 214.050 20.005 -36.09503      31.20611 
1 1 1 -6  15 3  o 346.401 20.086 325.942   37.143  0.0000    0.0000  325.942   37.143  ?       ?      346.401 20.086 0.000000       20.08627 
1 1 1 -6  15 5  o 344.621 14.128 319.978   26.103  346.847   37.201  293.919   36.636  357.471 19.484 328.665 20.900 28.80536       28.57356 
1 1 1 -6  15 7  o 331.715 14.336 296.577   25.495  294.230   36.134  298.904   35.977  328.828 20.600 331.501 20.341 -2.672333      28.95043 
1 1 1 -6  15 9  o 410.269 20.809 457.880   45.621  444.678   65.855  470.062   63.258  400.807 30.885 413.007 28.748 -12.19986      42.19347 
1 1 1 -6  15 11 o 73.288  22.908 14.528    9.9930  13.361    14.747  15.518    13.588  76.508  27.805 78.371  26.849 -1.862511      38.65204 
1 1 1 -6  15 13 o 584.083 15.824 922.378   49.553  934.146   70.126  910.643   70.030  585.321 22.347 577.797 22.607 7.524170       31.78740 
1 1 1 -6  15 15 o 525.824 15.271 747.850   43.052  717.457   60.755  778.503   61.015  512.529 22.110 534.243 21.302 -21.71448      30.70251 
1 1 1 -6  15 17 o 363.030 16.803 357.647   32.703  384.981   40.694  307.801   54.953  375.077 20.312 330.519 31.388 44.55814       37.38727 
1 1 1 -6  15 19 o 342.836 16.722 319.481   30.736  323.923   38.312  311.460   51.487  343.286 20.916 332.754 29.155 10.53168       35.88164 
1 1 1 -6  15 21 o 345.206 14.831 323.598   27.448  346.015   32.177  263.697   52.598  356.300 16.844 302.647 32.949 53.65341       37.00459 
1 1 1 -6  15 23 o 297.084 15.593 241.392   24.750  247.912   28.450  221.102   50.186  300.203 17.755 273.667 35.007 26.53610       39.25243 
1 1 1 -6  15 25 o 394.090 21.726 435.251   45.727  435.251   45.727  0.0000    0.0000  394.090 21.726 ?       ?      0.000000       21.72647 
1 1 1 -6  15 27 o 188.383 23.444 101.936   23.166  84.102    28.478  136.821   39.830  165.476 33.254 209.436 36.816 -43.95959      49.61119 
1 1 1 -6  15 29 o 348.022 23.068 346.305   42.797  346.305   42.797  0.0000    0.0000  348.022 23.068 ?       ?      0.000000       23.06757 
1 1 1 -6  15 31 o 90.048  31.025 23.841    18.154  22.814    20.814  27.105    37.115  90.057  32.986 103.208 42.217 -13.15134      53.57587 
1 1 1 -6  15 33 o 78.174  31.920 12.695    21.171  -5.5450   24.854  60.926    40.414  68.555  31.123 126.905 46.043 -58.34966      55.57523 
1 1 1 -6  15 35 o 105.838 41.172 40.937    33.569  83.458    50.881  8.1629    44.670  132.802 50.952 89.849  41.146 42.95315       65.49116 
1 1 1 -6  16 2  o 307.405 16.708 256.230   27.434  271.365   49.540  249.536   32.947  312.574 29.928 302.499 20.435 10.07520       36.23885 
1 1 1 -6  16 4  o 210.311 18.242 120.660   20.365  145.421   25.294  75.027    34.337  230.499 20.688 160.323 40.062 70.17635       45.08816 
1 1 1 -6  16 6  o 439.512 16.522 522.318   38.932  590.769   48.264  394.823   65.869  466.697 19.289 376.030 33.007 90.66745       38.23013 
1 1 1 -6  16 8  o 239.582 15.167 155.651   19.381  150.190   28.283  160.486   26.612  233.619 22.875 242.114 20.701 -8.494995      30.85051 
1 1 1 -6  16 10 o 251.353 17.047 171.861   22.836  204.308   41.693  157.956   27.294  270.593 29.202 239.890 21.448 30.70320       36.23237 
1 1 1 -6  16 12 o 212.093 17.876 122.888   20.137  100.045   38.057  131.771   23.732  184.608 39.636 219.065 20.442 -34.45732      44.59680 
1 1 1 -6  16 14 o 397.925 14.678 428.287   31.315  471.419   44.983  387.730   43.620  415.835 20.177 376.034 21.729 39.80099       29.65253 
1 1 1 -6  16 16 o 345.925 14.731 324.040   27.320  360.580   40.304  292.977   37.160  362.531 20.823 326.473 21.348 36.05734       29.82216 
1 1 1 -6  16 18 o 206.141 20.818 117.673   22.692  153.463   28.809  59.165    36.834  234.838 23.184 140.540 43.990 94.29767       49.72557 
1 1 1 -6  16 20 o 208.739 21.053 121.248   23.239  133.823   28.308  95.257    40.698  217.967 24.657 174.921 43.562 43.04506       50.05603 
1 1 1 -6  16 22 o 63.710  26.796 2.8361    15.546  15.101    18.037  -32.5965  30.658  81.069  30.516 66.398  31.572 14.67092       43.90867 
1 1 1 -6  16 24 o 153.202 25.823 68.187    20.456  67.548    25.280  69.398    34.816  149.374 32.491 146.905 42.062 2.469177       53.14952 
1 1 1 -6  16 26 o 146.065 25.142 62.177    18.979  47.135    21.369  118.355   41.296  124.146 31.926 191.835 41.369 -67.68893      52.25578 
1 1 1 -6  16 28 o 108.390 30.468 35.898    18.443  20.896    21.425  78.822    36.240  89.443  33.338 153.547 42.551 -64.10440      54.05605 
1 1 1 -6  16 30 o 137.275 40.697 63.968    32.096  34.347    51.679  82.566    40.950  114.777 48.595 151.584 46.205 -36.80759      67.05506 
1 1 1 -6  16 32 o 53.017  26.172 -49.0871  26.951  -30.8701  42.887  -60.9760  34.647  77.146  36.865 59.592  29.466 17.55407       47.19407 
1 1 1 -6  16 34 o 112.597 48.094 49.995    51.402  49.995    51.402  0.0000    0.0000  112.597 48.094 ?       ?      0.000000       48.09415 
1 1 1 -6  17 1  o 94.242  20.585 25.085    10.110  13.937    15.063  34.225    13.638  77.559  28.114 109.835 23.844 -32.27598      36.86367 
1 1 1 -6  17 3  o 243.600 17.283 161.554   22.425  169.928   28.636  148.274   36.061  248.792 21.685 229.769 29.989 19.02309       37.00795 
1 1 1 -6  17 5  o 268.607 17.448 196.340   24.990  209.050   31.072  173.060   42.053  276.256 21.140 247.531 32.471 28.72525       38.74613 
1 1 1 -6  17 7  o 85.556  27.675 19.701    14.479  4.0259    17.804  50.309    24.879  69.833  28.970 131.675 34.739 -61.84130      45.23372 
1 1 1 -6  17 9  f 137.870 28.625 54.401    20.466  85.657    30.815  29.729    27.377  171.997 34.615 107.748 38.035 64.24900       51.42877 
1 1 1 -6  17 11 o 249.543 18.399 170.201   24.442  165.934   30.507  177.851   40.844  244.895 23.524 250.844 31.033 -5.949249      38.94147 
1 1 1 -6  17 13 o 89.366  29.145 21.675    16.041  38.247    20.838  -2.4319   25.132  114.973 32.410 75.712  32.988 39.26057       46.24535 
1 1 1 -6  17 15 o 133.071 33.067 52.062    23.487  52.062    23.487  0.0000    0.0000  133.071 33.067 ?       ?      0.000000       33.06712 
1 1 1 -6  17 17 o 164.617 24.312 76.689    20.811  72.062    26.519  84.108    33.578  156.404 32.679 166.889 38.335 -10.48473      50.37358 
1 1 1 -6  17 19 o 233.642 20.080 151.491   24.908  152.088   31.172  150.436   41.428  231.738 25.512 225.106 35.504 6.632202       43.71941 
1 1 1 -6  17 21 o 200.232 22.738 113.096   23.976  108.304   28.750  124.041   43.450  193.180 28.625 198.945 42.052 -5.765106      50.87040 
1 1 1 -6  17 23 o 110.866 27.709 36.403    16.424  39.864    18.373  22.631    36.645  115.557 29.542 104.429 42.234 11.12785       51.54055 
1 1 1 -6  17 25 f 92.522  32.182 23.784    19.556  23.784    19.556  0.0000    0.0000  92.522  32.182 ?       ?      0.000000       32.18200 
1 1 1 -6  17 27 o 192.311 29.997 110.671   29.919  119.015   39.022  98.770    46.604  192.960 39.060 167.529 48.868 25.43161       62.55994 
1 1 1 -6  17 29 o 158.065 58.199 104.460   64.914  104.460   64.914  0.0000    0.0000  158.065 58.199 ?       ?      0.000000       58.19926 
1 1 1 -6  17 31 o 63.663  30.761 -36.0344  31.822  -42.4932  51.995  -32.1661  40.239  81.446  39.346 74.235  35.537 7.211533       53.01847 
1 1 1 -6  18 2  o 516.859 17.509 725.503   48.519  800.319   84.551  688.770   59.245  535.767 29.550 501.718 22.025 34.04901       36.85509 
1 1 1 -6  18 4  o 270.573 14.946 198.720   21.596  180.501   31.373  215.129   29.774  255.590 23.146 280.230 19.948 -24.64049      30.55575 
1 1 1 -6  18 6  o 380.073 21.060 395.966   42.745  408.510   61.149  383.979   59.776  381.741 30.123 369.883 30.413 11.85831       42.80559 
1 1 1 -6  18 8  o 126.634 21.411 45.033    14.018  58.186    21.230  34.865    18.667  142.265 28.822 109.966 30.562 32.29827       42.00881 
1 1 1 -6  18 10 o 248.648 15.603 168.391   20.695  203.343   31.074  140.531   27.742  271.492 21.525 224.800 23.360 46.69267       31.76460 
1 1 1 -6  18 12 o 374.413 17.136 381.812   34.399  403.963   43.088  342.884   57.121  383.046 21.062 347.493 30.986 35.55292       37.46627 
1 1 1 -6  18 14 o 185.430 20.916 95.678    20.430  98.949    43.947  94.776    23.075  178.011 45.788 183.492 24.034 -5.481171      51.71204 
1 1 1 -6  18 16 o 57.152  25.116 -2.8523   14.848  -19.5267  21.906  11.319    20.195  59.055  27.648 79.850  31.669 -20.79466      42.03988 
1 1 1 -6  18 18 o 154.394 22.185 67.295    17.837  100.849   32.664  53.039    21.291  184.160 34.346 134.014 30.339 50.14566       45.82739 
1 1 1 -6  18 20 o 104.191 27.799 31.854    15.816  18.425    26.484  39.298    19.719  93.241  36.487 114.971 31.196 -21.72956      48.00558 
1 1 1 -6  18 22 o 160.295 24.853 73.784    20.667  88.631    24.995  41.692    36.748  174.720 27.600 120.428 43.873 54.29186       51.83185 
1 1 1 -6  18 24 o 227.219 19.739 144.389   23.806  157.122   27.305  104.039   48.608  236.030 21.825 174.333 49.626 61.69627       54.21305 
1 1 1 -6  18 26 o 132.742 43.215 58.244    35.274  55.706    60.949  59.522    43.254  133.316 54.266 133.433 47.733 -0.1168365     72.27208 
1 1 1 -6  18 28 o 81.249  35.899 1.5632    30.725  9.3935    47.373  -4.1224   40.367  99.473  44.232 87.525  39.708 11.94851       59.44094 
1 1 1 -6  19 1  o 171.630 18.840 81.330    17.051  75.842    20.487  93.701    30.759  164.196 23.980 179.458 33.192 -15.26228      40.94767 
1 1 1 -6  19 3  o 104.432 24.730 31.319    13.632  54.100    23.573  19.872    16.710  135.771 32.761 87.040  29.774 48.73096       44.26930 
1 1 1 -6  19 5  o 173.128 24.070 84.212    21.737  0.0000    0.0000  84.212    21.737  ?       ?      173.128 24.070 0.000000       24.06964 
1 1 1 -6  19 7  o 182.110 20.265 91.900    19.450  66.920    36.120  102.103   23.083  148.584 42.930 191.218 22.976 -42.63461      48.69135 
1 1 1 -6  19 9  o 71.302  26.971 10.676    14.131  -14.1490  29.325  18.184    16.128  74.145  33.717 84.030  29.225 -9.884857      44.62014 
1 1 1 -6  19 11 o 99.144  29.271 28.208    16.632  28.178    38.534  28.215    18.437  112.834 44.051 99.705  31.109 13.12914       53.92870 
1 1 1 -6  19 13 o 277.661 18.032 211.538   26.697  284.357   54.222  188.235   30.673  314.415 32.642 260.302 22.191 54.11261       39.47102 
1 1 1 -6  19 15 o 94.954  30.467 25.314    17.575  66.998    47.051  18.555    18.946  147.653 49.964 86.833  31.522 60.81998       59.07665 
1 1 1 -6  19 17 o 102.428 30.693 30.433    18.183  4.9649    47.344  34.839    19.694  104.284 45.359 108.992 31.760 -4.707359      55.37234 
1 1 1 -6  19 19 o 87.862  31.878 19.440    19.373  9.3921    49.572  21.252    21.047  107.778 46.645 91.450  33.220 16.32821       57.26545 
1 1 1 -6  19 21 o 113.522 35.564 38.598    24.069  78.572    60.206  30.994    26.258  153.605 56.126 105.304 37.242 48.30088       67.35777 
1 1 1 -6  19 23 o 213.300 21.669 128.566   24.435  149.482   29.564  83.469    43.411  228.570 24.507 157.211 47.496 71.35945       53.44579 
1 1 1 -6  19 25 o 105.329 42.132 27.827    36.037  84.772    69.453  6.8486    42.155  149.898 58.958 96.247  42.307 53.65104       72.56693 
1 1 1 -6  20 2  o 89.824  25.147 23.000    12.590  7.8156    16.826  42.311    18.976  71.828  28.769 120.596 29.575 -48.76874      41.25941 
1 1 1 -6  20 4  o 158.006 22.579 69.980    18.583  83.971    22.918  43.128    31.750  172.378 25.574 123.080 41.046 49.29743       48.36095 
1 1 1 -6  20 6  o 93.492  25.222 25.044    12.934  46.304    21.594  13.150    16.151  125.697 31.969 77.306  28.920 48.39101       43.10874 
1 1 1 -6  20 8  o 123.514 26.427 43.929    16.971  63.521    22.362  17.320    26.061  148.256 29.173 93.025  36.252 55.23046       46.53255 
1 1 1 -6  20 10 o 69.296  26.528 9.5830    13.774  17.381    20.914  3.6100    18.305  87.671  32.887 69.687  29.180 17.98435       43.96655 
1 1 1 -6  20 12 o 112.171 27.270 36.535    16.241  45.444    26.479  31.161    20.563  123.956 37.014 104.503 32.893 19.45272       49.51812 
1 1 1 -6  20 14 o 95.574  30.551 25.711    17.684  0.0000    0.0000  25.711    17.684  ?       ?      95.574  30.551 0.000000       30.55074 
1 1 1 -6  20 16 o 171.770 21.006 82.573    18.941  119.874   30.494  59.141    24.169  204.156 28.649 140.944 32.629 63.21118       43.42124 
1 1 1 -6  20 18 o 175.849 26.163 88.792    23.915  87.677    33.047  90.017    34.651  169.324 37.401 170.926 38.711 -1.602814      53.82771 
1 1 1 -6  20 20 o 162.901 28.261 77.781    23.787  80.826    32.675  74.347    34.696  160.867 38.415 152.734 41.355 8.133286       56.44452 
1 1 1 -6  20 22 o 96.146  31.633 26.961    18.881  0.3601    28.864  46.857    24.963  80.127  35.120 122.590 35.767 -42.46282      50.12647 
1 1 1 -6  21 1  o 115.283 25.041 38.180    15.034  59.547    22.160  19.959    20.464  143.183 29.836 90.287  32.763 52.89600       44.31227 
1 1 1 -6  21 3  o 147.518 24.534 61.700    18.723  57.470    22.999  70.011    32.238  140.161 31.387 152.475 39.215 -12.31438      50.22852 
1 1 1 -6  21 5  o 52.359  24.547 -16.6226  17.372  -16.6226  17.372  0.0000    0.0000  52.359  24.547 ?       ?      0.000000       24.54730 
1 1 1 -6  21 7  o 153.631 24.659 66.912    19.623  102.367   26.466  23.625    29.244  189.968 26.725 101.763 38.726 88.20504       47.05273 
1 1 1 -6  21 9  o 145.684 33.492 62.813    25.612  50.261    32.245  84.269    42.159  130.104 41.218 164.398 46.015 -34.29411      61.77605 
1 1 1 -6  21 11 o 226.891 20.311 142.600   24.445  164.057   41.291  131.021   30.333  237.429 33.358 214.811 26.930 22.61803       42.87156 
1 1 1 -6  21 13 o 168.984 22.016 80.231    19.472  84.953    31.639  77.351    24.705  168.068 36.183 163.112 29.329 4.956955       46.57678 
1 1 1 -6  21 15 o 185.103 20.137 95.600    19.662  150.204   32.785  64.930    24.571  229.192 27.213 147.720 31.954 81.47186       41.97157 
1 1 1 -6  21 17 o 138.081 30.819 56.943    22.237  61.512    28.527  49.868    35.499  141.060 37.191 127.685 43.398 13.37420       57.15394 
1 1 1 -6  22 2  o 229.452 17.227 144.507   21.037  132.784   29.828  156.108   29.674  216.595 26.221 236.130 23.763 -19.53490      35.38659 
1 1 1 -6  22 4  o 202.371 18.661 113.062   20.018  120.064   28.775  106.495   27.866  205.595 26.739 193.050 27.719 12.54454       38.51370 
1 1 1 -6  22 6  o 151.250 22.107 64.430    17.397  78.399    25.911  52.964    23.475  163.940 30.606 133.497 32.990 30.44301       45.00032 
1 1 1 -6  22 8  o 114.884 32.096 38.977    20.531  97.929    32.329  -0.8697   26.579  181.707 34.446 78.024  33.961 103.6831       48.37269 
1 1 1 -6  22 10 o 246.654 17.584 167.400   23.100  185.936   34.163  151.788   31.354  256.679 25.148 231.442 25.703 25.23734       35.95923 
1 1 1 -5  0  1  o 225.345 26.652 142.247   31.015  142.247   31.015  142.247   31.015  225.345 26.652 225.345 26.652 -0.000000      0.000000 
1 1 1 -5  0  3  o 201.372 18.070 111.499   19.148  111.499   19.148  111.499   19.148  201.372 18.070 201.372 18.070 -0.000000      0.000000 
1 1 1 -5  0  5  o 297.057 18.560 239.797   29.295  239.797   29.295  239.797   29.295  297.057 18.560 297.057 18.560 -0.000000      0.000000 
1 1 1 -5  0  7  o 756.037 34.371 1554.66   138.664 1554.66   138.664 1554.66   138.664 756.037 34.371 756.037 34.371 -0.000000      0.000000 
1 1 1 -5  0  9  o 411.788 19.605 459.117   43.058  459.117   43.058  459.117   43.058  411.788 19.605 411.788 19.605 -0.000000      0.000000 
1 1 1 -5  0  11 o 124.280 20.950 44.928    12.768  44.928    12.768  44.928    12.768  124.280 20.950 124.280 20.950 -0.000000      0.000000 
1 1 1 -5  0  13 o 323.708 27.316 289.062   46.630  289.062   46.630  289.062   46.630  323.708 27.316 323.708 27.316 -0.000000      0.000000 
1 1 1 -5  0  15 o 90.863  27.510 27.553    11.693  27.553    11.693  27.553    11.693  90.863  27.510 90.863  27.510 -0.000000      0.000000 
1 1 1 -5  0  17 o 335.940 19.554 306.310   34.945  306.310   34.945  306.310   34.945  335.940 19.554 335.940 19.554 -0.000000      0.000000 
1 1 1 -5  0  19 o 196.853 20.791 107.508   21.383  107.508   21.383  107.508   21.383  196.853 20.791 196.853 20.791 0.000000       0.000000 
1 1 1 -5  0  21 o 1629.44 40.647 7179.49   354.589 7179.49   354.589 7179.49   354.589 1629.44 40.647 1629.44 40.647 -0.000000      0.000000 
1 1 1 -5  0  23 o 763.695 35.074 1582.56   142.919 1582.56   142.919 1582.56   142.919 763.695 35.074 763.695 35.074 -0.000000      0.000000 
1 1 1 -5  0  25 o 439.066 20.922 521.604   48.994  521.604   48.994  521.604   48.994  439.066 20.922 439.066 20.922 0.000000       0.000000 
1 1 1 -5  0  27 o 351.928 29.876 341.116   55.435  341.116   55.435  341.116   55.435  351.928 29.876 351.928 29.876 0.000000       0.000000 
1 1 1 -5  0  29 o 192.436 28.592 106.278   27.582  106.278   27.582  106.278   27.582  192.436 28.592 192.436 28.592 -0.000000      0.000000 
1 1 1 -5  0  31 o 276.490 35.986 218.543   50.847  218.543   50.847  218.543   50.847  276.490 35.986 276.490 35.986 -0.000000      0.000000 
1 1 1 -5  0  33 o 385.998 32.375 416.257   65.914  416.257   65.914  416.257   65.914  385.998 32.375 385.998 32.375 -0.000000      0.000000 
1 1 1 -5  0  35 o 33.041  23.506 -24.6059  18.034  -24.6059  18.034  -24.6059  18.034  33.041  23.506 33.041  23.506 -0.000000      0.000000 
1 1 1 -5  0  37 o 186.836 44.665 112.952   38.815  112.952   38.815  112.952   38.815  186.836 44.665 186.836 44.665 0.000000       0.000000 
1 1 1 -5  0  39 o 423.556 23.793 497.458   53.639  497.458   53.639  497.458   53.639  423.556 23.793 423.556 23.793 -0.000000      0.000000 
1 1 1 -5  0  41 o 55.506  37.256 -7.5128   31.234  -7.5128   31.234  -7.5128   31.234  55.506  37.256 55.506  37.256 0.000000       0.000000 
1 1 1 -5  0  43 o 88.794  50.406 35.399    37.208  35.399    37.208  35.399    37.208  88.794  50.406 88.794  50.406 0.000000       0.000000 
1 1 1 -5  0  45 o 203.649 55.820 152.125   52.696  152.125   52.696  152.125   52.696  203.649 55.820 203.649 55.820 -0.000000      0.000000 
1 1 1 -5  0  47 o 72.421  48.006 7.0926    49.150  7.0926    49.150  7.0926    49.150  72.421  48.006 72.421  48.006 -0.000000      0.000000 
1 1 1 -5  1  2  o 1095.57 21.096 3233.93   123.910 3209.37   143.089 3307.56   247.769 1090.44 24.476 1099.70 42.024 -9.263794      48.63222 
1 1 1 -5  1  4  o 354.839 13.198 338.227   25.108  335.266   35.501  341.190   35.516  352.404 18.858 355.532 18.698 -3.128479      26.55689 
1 1 1 -5  1  6  o 448.014 16.123 539.940   38.727  596.245   67.067  511.775   47.434  468.608 26.806 435.726 20.305 32.88174       33.62840 
1 1 1 -5  1  8  o 1012.11 23.227 2770.02   126.034 2730.78   154.351 2848.51   218.324 1002.61 28.715 1017.68 40.014 -15.06903      49.25131 
1 1 1 -5  1  10 o 591.437 15.128 941.984   47.970  998.418   67.853  885.593   67.827  607.655 20.828 571.978 22.118 35.67731       30.38119 
1 1 1 -5  1  12 o 316.322 18.794 271.319   31.729  279.588   44.909  263.076   44.835  319.365 26.467 309.508 27.299 9.857239       38.02285 
1 1 1 -5  1  14 o 182.130 13.310 89.738    12.907  93.649    18.344  85.904    18.163  185.274 18.724 177.245 19.432 8.029282       26.98537 
1 1 1 -5  1  16 o 566.518 15.025 863.575   45.635  884.892   64.562  842.292   64.513  572.437 21.037 558.387 21.550 14.04993       30.11539 
1 1 1 -5  1  18 o 658.153 22.695 1168.16   80.080  1117.83   113.217 1218.54   113.282 640.852 33.065 670.336 31.521 -29.48413      45.68199 
1 1 1 -5  1  20 o 613.998 15.634 1013.08   51.465  963.190   72.696  1063.21   72.870  597.876 22.679 628.300 21.633 -30.42371      31.34203 
1 1 1 -5  1  22 o 900.918 18.845 2184.43   91.023  2208.89   128.717 2159.97   128.734 904.181 26.553 894.031 26.858 10.15015       37.76760 
1 1 1 -5  1  24 o 1142.11 25.345 3529.27   155.194 3690.21   190.053 3207.19   268.860 1165.50 30.415 1077.02 46.562 88.48096       55.61563 
1 1 1 -5  1  26 o 317.827 17.051 272.991   28.948  262.625   49.726  278.304   35.603  308.989 30.411 320.279 20.848 -11.28922      36.87137 
1 1 1 -5  1  28 o 269.302 21.890 197.878   31.332  174.855   44.497  220.517   44.125  249.854 34.109 282.445 29.578 -32.59041      45.14747 
1 1 1 -5  1  30 o 122.925 26.239 43.040    16.766  60.146    23.507  25.329    23.919  144.596 31.236 100.458 35.543 44.13743       47.31750 
1 1 1 -5  1  32 o 474.394 18.102 615.560   46.041  664.831   80.551  591.653   56.110  482.710 31.294 462.502 22.628 20.20758       38.61809 
1 1 1 -5  1  34 f 125.383 25.518 46.055    16.570  29.350    22.836  64.632    24.082  101.196 34.800 146.323 31.620 -45.12680      47.02007 
1 1 1 -5  1  36 o 331.894 16.215 305.246   28.853  337.118   41.737  276.073   39.930  342.725 22.845 308.669 24.326 34.05655       33.37172 
1 1 1 -5  1  38 o 110.343 34.903 40.870    23.129  5.8648    38.946  59.942    28.747  88.203  39.599 130.512 38.469 -42.30956      55.20817 
1 1 1 -5  1  40 o 64.561  29.319 -1.8138   22.078  2.1711    30.575  -6.1553   31.913  75.100  34.258 72.099  33.628 3.000946       48.00510 
1 1 1 -5  1  42 o 199.698 33.236 146.256   34.334  149.912   41.544  138.378   60.980  186.036 42.573 136.751 54.770 49.28503       69.37021 
1 1 1 -5  1  44 o 119.721 43.362 80.068    35.822  57.839    62.229  91.084    43.808  92.158  44.137 117.054 46.574 -24.89641      64.16589 
1 1 1 -5  1  46 o 193.590 49.046 238.742   50.964  213.804   73.009  262.443   71.175  111.764 51.693 134.140 56.924 -22.37601      76.89307 
1 1 1 -5  2  1  o 728.039 19.445 1427.74   75.899  1419.50   131.552 1431.86   92.925  722.367 33.968 728.212 23.801 -5.845459      41.47683 
1 1 1 -5  2  3  o 761.096 19.578 1560.45   79.886  1575.08   97.864  1531.21   138.298 763.742 23.900 750.118 34.389 13.62378       41.87854 
1 1 1 -5  2  5  o 315.755 18.565 269.487   31.290  260.335   44.248  278.641   44.253  308.902 26.989 319.843 26.033 -10.94122      37.49814 
1 1 1 -5  2  7  o 933.929 22.112 2356.69   110.715 2340.60   135.572 2388.90   191.840 928.852 27.224 932.941 38.354 -4.088928      47.03397 
1 1 1 -5  2  9  f 777.295 17.245 1628.93   71.867  1665.96   101.638 1591.90   101.633 783.920 24.183 766.097 24.745 17.82312       34.59944 
1 1 1 -5  2  11 o 264.880 12.832 188.763   18.222  187.243   25.745  190.290   25.796  262.680 18.397 264.838 18.279 -2.158600      25.93409 
1 1 1 -5  2  13 o 444.902 13.784 532.861   32.877  512.237   46.463  553.542   46.528  435.206 19.913 452.558 19.176 -17.35150      27.64553 
1 1 1 -5  2  15 o 301.960 13.103 245.178   21.212  260.806   30.031  229.618   29.966  310.479 18.120 291.069 19.312 19.41003       26.48192 
1 1 1 -5  2  17 o 678.706 18.702 1240.42   68.053  1170.98   83.339  1379.38   117.894 658.554 23.604 712.953 30.843 -54.39862      38.83898 
1 1 1 -5  2  19 o 350.556 15.932 330.267   29.943  296.705   51.679  347.229   36.738  329.961 29.525 358.734 19.171 -28.77286      35.20321 
1 1 1 -5  2  21 o 309.306 13.877 256.972   23.013  288.270   32.744  226.426   32.349  326.796 18.768 289.216 21.006 37.58099       28.16874 
1 1 1 -5  2  23 o 544.207 21.602 798.756   63.027  809.504   89.188  788.035   89.079  545.359 30.628 537.952 31.018 7.406921       43.59060 
1 1 1 -5  2  25 o 514.808 15.037 713.115   41.502  792.587   58.859  634.533   58.528  541.911 20.259 484.488 22.533 57.42276       30.30071 
1 1 1 -5  2  27 o 428.392 21.192 496.565   48.672  496.565   48.672  0.0000    0.0000  428.392 21.192 ?       ?      0.000000       21.19179 
1 1 1 -5  2  29 o 293.168 18.798 233.768   29.390  199.252   50.934  250.996   35.985  265.069 36.836 302.949 22.313 -37.88031      43.06700 
1 1 1 -5  2  31 o 529.858 18.095 765.027   51.404  748.928   63.322  796.140   88.029  521.865 22.632 531.437 31.031 -9.571411      38.40746 
1 1 1 -5  2  33 o 328.210 18.710 297.614   32.787  293.802   40.200  305.190   56.663  323.452 23.338 322.380 33.262 1.071899       40.63298 
1 1 1 -5  2  35 o 262.127 17.462 191.201   24.400  169.577   35.585  210.389   33.521  239.897 28.206 271.259 23.275 -31.36131      36.56953 
1 1 1 -5  2  37 o 250.187 18.454 177.221   24.578  175.553   34.571  178.926   34.949  241.802 27.136 244.102 27.166 -2.300385      38.39698 
1 1 1 -5  2  39 o 395.749 17.530 448.076   37.194  477.722   52.307  417.755   52.898  395.931 24.766 365.776 27.169 30.15503       36.76260 
1 1 1 -5  2  41 o 120.761 40.363 63.284    30.702  109.802   57.091  44.358    36.416  129.874 52.648 100.527 41.545 29.34664       67.06551 
1 1 1 -5  2  43 o 98.726  40.951 48.533    35.569  61.189    43.355  22.478    62.206  103.265 44.140 87.268  42.366 15.99690       61.18206 
1 1 1 -5  2  45 o 157.272 45.546 140.515   40.613  135.246   51.942  148.803   65.148  123.771 50.203 111.457 50.517 12.31460       71.22021 
1 1 1 -5  2  47 o 84.659  38.817 70.322    39.922  191.863   65.859  -0.2774   50.194  98.840  46.786 63.895  32.165 34.94514       56.77594 
1 1 1 -5  3  2  o 1390.75 29.254 5252.03   218.124 5544.98   377.948 5105.72   267.094 1411.85 49.931 1366.42 36.459 45.43408       61.82554 
1 1 1 -5  3  4  o 633.782 17.858 1082.15   60.680  1120.97   74.343  1004.67   105.027 644.326 21.521 606.398 32.423 37.92761       38.91509 
1 1 1 -5  3  6  o 508.915 20.625 699.321   56.275  699.321   56.275  0.0000    0.0000  508.915 20.625 ?       ?      0.000000       20.62524 
1 1 1 -5  3  8  o 637.701 15.618 1095.37   53.397  1105.87   75.505  1084.86   75.525  639.236 22.031 633.076 22.252 6.160339       31.31328 
1 1 1 -5  3  10 o 549.696 14.842 813.897   43.742  803.397   61.819  824.424   61.901  544.794 21.165 551.939 20.919 -7.145081      29.75842 
1 1 1 -5  3  12 o 357.981 19.197 347.277   36.709  381.922   51.893  312.573   51.937  373.811 26.056 337.192 29.012 36.61880       38.99516 
1 1 1 -5  3  14 o 506.785 14.459 691.077   39.287  684.122   55.492  698.067   55.629  503.260 20.567 508.393 20.409 -5.132874      28.97462 
1 1 1 -5  3  16 o 987.833 19.691 2629.35   104.283 2649.57   147.410 2609.10   147.546 989.100 27.798 981.428 28.041 7.671814       39.48474 
1 1 1 -5  3  18 o 597.435 17.891 959.927   57.304  997.568   99.215  941.084   70.197  606.385 30.617 591.030 22.153 15.35541       37.79120 
1 1 1 -5  3  20 o 362.371 13.955 352.683   27.111  341.713   38.318  363.679   38.364  355.753 20.173 367.121 19.562 -11.36722      28.10063 
1 1 1 -5  3  22 o 418.288 20.372 471.354   45.686  0.0000    0.0000  471.354   45.686  ?       ?      418.288 20.372 0.000000       20.37220 
1 1 1 -5  3  24 o 767.930 24.657 1595.49   101.515 1595.49   101.515 0.0000    0.0000  767.930 24.657 ?       ?      0.000000       24.65687 
1 1 1 -5  3  26 o 132.770 29.308 49.848    20.304  49.848    20.304  0.0000    0.0000  132.770 29.308 ?       ?      0.000000       29.30826 
1 1 1 -5  3  28 o 219.935 16.974 131.388   19.860  126.282   28.848  135.987   27.382  213.786 25.683 222.520 23.297 -8.734879      34.67533 
1 1 1 -5  3  30 o 330.123 15.620 295.119   27.646  308.707   40.110  282.822   38.158  335.138 22.453 320.763 22.328 14.37460       31.66504 
1 1 1 -5  3  32 o 430.456 15.473 504.743   35.709  503.338   51.238  506.069   49.792  425.540 22.539 427.174 21.814 -1.634064      31.36645 
1 1 1 -5  3  34 o 327.045 19.079 297.763   33.308  266.776   39.959  368.305   60.291  305.794 24.581 352.202 32.289 -46.40778      40.58101 
1 1 1 -5  3  36 o 106.255 36.711 35.180    25.427  2.8594    37.501  62.684    34.594  88.649  39.390 134.921 42.687 -46.27182      58.08435 
1 1 1 -5  3  38 o 265.930 22.413 208.192   31.656  218.531   55.789  203.281   38.445  244.250 44.232 255.964 28.499 -11.71375      52.61784 
1 1 1 -5  3  40 o 135.812 35.866 68.814    26.502  108.182   48.755  52.304    31.574  144.253 50.776 112.007 40.688 32.24620       65.06651 
1 1 1 -5  3  42 o 86.697  36.950 27.169    30.219  29.553    35.077  20.305    59.511  88.865  38.839 89.193  42.835 -0.3273087     57.82074 
1 1 1 -5  3  44 o 215.745 36.274 191.192   40.468  186.871   51.642  198.068   65.140  175.874 51.482 147.168 57.325 28.70584       77.04901 
1 1 1 -5  3  46 o 312.039 26.201 363.003   43.427  398.883   65.538  334.918   57.985  247.873 51.017 237.345 47.230 10.52786       69.52254 
1 1 1 -5  4  1  o 313.041 18.612 265.272   31.096  247.854   43.938  282.750   44.015  300.782 27.553 321.840 25.724 -21.05710      37.69461 
1 1 1 -5  4  3  o 332.127 13.121 296.630   23.363  302.836   33.030  290.416   33.052  334.565 18.486 327.542 18.902 7.022888       26.43895 
1 1 1 -5  4  5  o 377.028 15.625 382.848   31.583  398.497   54.714  375.029   38.677  382.002 26.887 372.182 19.451 9.820099       33.18510 
1 1 1 -5  4  7  o 731.419 16.706 1442.27   65.512  1456.07   75.665  1400.94   130.932 734.235 19.222 714.431 34.183 19.80432       39.21703 
1 1 1 -5  4  9  o 556.020 21.296 836.851   63.484  914.735   89.741  758.832   89.819  578.960 28.912 525.353 32.043 53.60651       43.15799 
1 1 1 -5  4  11 o 333.751 15.271 300.046   27.324  285.298   46.731  307.707   33.682  322.652 27.270 337.070 18.712 -14.41840      33.07265 
1 1 1 -5  4  13 o 575.371 15.148 890.905   46.726  894.424   66.013  887.372   66.149  575.393 21.399 573.092 21.529 2.300171       30.35493 
1 1 1 -5  4  15 o 1023.98 20.286 2825.55   111.366 2928.62   157.467 2722.40   157.523 1039.93 28.243 1002.26 29.315 37.67395       40.70718 
1 1 1 -5  4  17 o 557.767 17.411 836.497   52.066  767.450   90.045  871.178   63.817  531.464 31.747 568.829 20.926 -37.36560      38.02316 
1 1 1 -5  4  19 o 304.378 13.597 248.789   22.188  226.760   31.132  271.532   31.632  289.590 20.178 317.194 18.683 -27.60352      27.49916 
1 1 1 -5  4  21 o 451.438 20.568 548.898   49.781  0.0000    0.0000  548.898   49.781  ?       ?      451.438 20.568 0.000000       20.56793 
1 1 1 -5  4  23 o 334.147 16.814 301.259   30.025  289.520   36.612  325.373   52.472  326.954 20.997 345.249 28.606 -18.29504      35.48487 
1 1 1 -5  4  25 o 380.735 16.559 390.453   33.801  424.981   41.798  325.207   57.458  396.826 19.647 343.959 31.508 52.86664       37.13186 
1 1 1 -5  4  27 o 648.720 16.311 1135.00   56.731  1105.44   80.041  1164.84   80.420  638.178 23.394 655.270 22.891 -17.09186      32.73046 
1 1 1 -5  4  29 o 867.234 21.785 2050.22   101.289 1977.69   175.528 2086.42   124.021 836.393 39.144 871.350 26.548 -34.95685      47.29741 
1 1 1 -5  4  31 o 536.839 15.733 783.693   45.281  762.263   64.438  804.599   63.644  525.302 22.880 540.316 21.971 -15.01416      31.72077 
1 1 1 -5  4  33 o 235.456 17.130 153.086   21.476  161.039   31.948  146.531   29.007  237.449 25.495 227.087 24.198 10.36215       35.15064 
1 1 1 -5  4  35 o 279.386 19.494 219.523   29.017  216.736   36.688  224.178   47.421  273.293 25.327 270.721 33.379 2.572357       41.89994 
1 1 1 -5  4  37 o 275.715 26.731 228.475   39.017  265.009   55.409  192.543   54.951  283.421 37.377 230.373 46.100 53.04758       59.34879 
1 1 1 -5  4  39 o 219.141 32.349 161.272   36.863  0.0000    0.0000  161.272   36.863  ?       ?      219.141 32.349 0.000000       32.34893 
1 1 1 -5  4  41 o 158.349 30.084 86.589    24.606  71.495    34.079  103.031   35.567  125.173 42.521 155.745 41.745 -30.57162      59.58816 
1 1 1 -5  4  43 o 169.963 44.393 137.282   40.894  137.282   40.894  0.0000    0.0000  169.963 44.393 ?       ?      0.000000       44.39327 
1 1 1 -5  4  45 o 133.807 42.227 99.763    33.868  25.959    46.038  186.816   50.000  77.605  37.373 164.821 51.197 -87.21635      63.38657 
1 1 1 -5  5  2  o 262.238 14.767 185.741   20.676  172.616   35.757  192.334   25.343  250.512 27.053 266.413 17.846 -15.90089      32.40896 
1 1 1 -5  5  4  o 835.511 25.078 1895.41   112.334 1766.24   158.711 2025.08   159.017 800.585 36.977 858.735 34.539 -58.15051      50.59874 
1 1 1 -5  5  6  o 334.828 18.863 303.673   33.723  0.0000    0.0000  303.673   33.723  ?       ?      334.828 18.863 0.000000       18.86263 
1 1 1 -5  5  8  o 565.466 17.329 862.395   52.536  890.837   91.012  848.182   64.337  570.569 29.856 559.884 21.433 10.68439       36.75286 
1 1 1 -5  5  10 o 550.502 16.880 816.599   49.819  874.187   61.101  702.386   86.049  568.983 20.030 506.269 31.865 62.71423       37.63737 
1 1 1 -5  5  12 o 421.511 13.496 477.566   30.500  464.932   42.935  490.436   43.334  415.314 19.283 426.593 18.947 -11.27945      27.03351 
1 1 1 -5  5  14 o 1041.32 20.479 2920.79   114.329 2985.17   161.678 2856.39   161.695 1050.31 28.712 1027.18 29.361 23.12671       41.06672 
1 1 1 -5  5  16 o 1230.46 26.550 4085.30   175.147 3917.07   303.286 4169.48   214.537 1196.40 47.283 1241.15 32.241 -44.74951      57.22900 
1 1 1 -5  5  18 o 1046.29 20.482 2945.81   114.892 3162.34   162.557 2729.68   162.406 1082.26 28.016 1004.93 30.144 77.32196       41.15239 
1 1 1 -5  5  20 o 658.074 18.593 1165.19   65.597  1137.60   113.458 1179.04   80.396  646.912 32.820 661.380 22.673 -14.46838      39.89054 
1 1 1 -5  5  22 o 952.885 22.399 2450.42   114.429 2356.89   140.025 2638.47   198.544 932.766 28.000 982.766 37.682 -50.00061      46.94633 
1 1 1 -5  5  24 o 603.223 18.255 980.792   59.038  953.916   72.292  1034.61   102.297 594.014 22.700 615.612 31.095 -21.59802      38.49907 
1 1 1 -5  5  26 o 435.424 14.898 510.610   34.777  519.437   49.624  502.091   48.753  438.143 21.125 430.768 21.110 7.374908       29.86486 
1 1 1 -5  5  28 o 218.004 19.824 129.990   22.917  107.390   40.337  140.762   27.848  192.053 40.453 226.097 23.308 -34.04364      46.68720 
1 1 1 -5  5  30 o 660.445 16.622 1185.93   58.855  1237.25   83.363  1134.93   83.105  670.132 23.203 641.082 24.179 29.05017       33.51115 
1 1 1 -5  5  32 o 331.739 15.976 300.770   28.415  311.189   41.396  291.487   39.073  333.138 23.324 322.733 22.727 10.40475       32.56614 
1 1 1 -5  5  34 o 300.413 25.808 260.452   41.163  260.452   41.163  0.0000    0.0000  300.413 25.808 ?       ?      0.000000       25.80785 
1 1 1 -5  5  36 o 270.170 20.070 207.789   28.864  215.133   37.674  197.354   44.911  269.326 26.432 249.936 34.430 19.38998       43.40596 
1 1 1 -5  5  38 o 339.930 19.794 335.461   35.917  403.144   67.495  308.723   42.422  341.332 37.501 318.922 25.011 22.41025       45.07625 
1 1 1 -5  5  40 o 189.851 24.034 112.965   23.915  138.573   35.431  91.534    32.412  195.986 35.004 152.116 39.421 43.86916       52.71905 
1 1 1 -5  5  42 f 121.881 36.424 60.384    25.633  81.843    36.694  39.931    35.822  128.805 44.121 95.389  40.427 33.41545       59.84130 
1 1 1 -5  5  44 o 103.796 38.012 53.527    27.638  36.805    40.149  68.587    38.103  85.702  39.158 105.104 42.859 -19.40245      58.05365 
1 1 1 -5  5  46 o 115.640 44.418 107.594   38.695  168.300   69.231  80.013    46.665  96.693  46.374 88.293  41.008 8.399841       61.90469 
1 1 1 -5  6  1  o 588.897 14.615 933.423   46.144  961.622   65.302  905.300   65.214  596.580 20.417 578.710 21.019 17.87042       29.30249 
1 1 1 -5  6  3  o 616.885 17.519 1026.06   57.941  996.389   70.945  1085.48   100.407 606.938 21.803 631.091 29.676 -24.15356      36.82400 
1 1 1 -5  6  5  o 498.113 16.664 668.500   44.501  652.306   54.511  700.859   77.054  491.369 20.692 506.806 28.474 -15.43631      35.19818 
1 1 1 -5  6  7  o 363.595 13.406 355.461   26.134  374.404   37.029  336.661   36.889  372.645 18.534 352.712 19.585 19.93283       26.96444 
1 1 1 -5  6  9  o 307.536 15.206 254.399   25.072  285.070   43.471  239.111   30.690  323.626 25.254 297.218 19.366 26.40817       31.82460 
1 1 1 -5  6  11 o 472.074 13.767 598.768   34.843  636.834   40.279  485.616   69.444  486.706 15.436 422.096 30.902 64.60919       34.54277 
1 1 1 -5  6  13 o 823.471 25.251 1828.89   111.480 1828.89   111.480 0.0000    0.0000  823.471 25.251 ?       ?      0.000000       25.25085 
1 1 1 -5  6  15 o 244.818 15.659 161.661   20.446  131.219   34.755  177.773   25.284  218.305 30.530 256.480 18.512 -38.17406      35.70414 
1 1 1 -5  6  17 o 877.947 21.260 2074.50   100.072 1874.88   173.114 2174.68   122.639 830.770 38.867 898.117 25.470 -67.34723      46.46865 
1 1 1 -5  6  19 o 741.554 19.569 1480.02   77.801  1442.11   134.543 1499.06   95.362  728.947 34.427 745.585 23.856 -16.63873      41.88469 
1 1 1 -5  6  21 o 286.910 14.150 221.237   21.765  234.213   31.102  208.784   30.469  294.180 19.836 277.563 20.622 16.61707       28.61363 
1 1 1 -5  6  23 o 479.909 17.170 620.248   44.178  635.920   54.250  589.396   76.116  485.404 20.846 464.495 30.739 20.90863       37.14072 
1 1 1 -5  6  25 o 531.207 15.441 759.999   43.977  754.693   62.612  765.166   61.782  528.046 22.116 531.800 21.669 -3.753662      30.96260 
1 1 1 -5  6  27 o 567.315 18.272 871.064   55.575  927.440   96.398  842.997   68.017  579.379 31.148 556.626 22.792 22.75262       38.59628 
1 1 1 -5  6  29 o 401.472 21.382 442.460   45.858  375.904   64.361  511.092   65.356  363.839 33.366 427.659 28.671 -63.81931      43.99229 
1 1 1 -5  6  31 o 265.073 17.169 192.969   24.268  164.703   35.405  218.019   33.330  240.034 28.040 279.524 22.430 -39.49016      35.90759 
1 1 1 -5  6  33 o 272.850 24.904 212.881   36.030  212.881   36.030  0.0000    0.0000  272.850 24.904 ?       ?      0.000000       24.90449 
1 1 1 -5  6  35 o 226.781 19.545 145.499   23.531  173.381   34.931  122.334   31.839  241.850 27.425 200.490 30.590 41.36049       41.08335 
1 1 1 -5  6  37 o 353.120 19.270 357.483   36.343  390.927   67.296  343.714   43.181  340.584 37.475 340.511 23.803 0.7299805E-01  44.39548 
1 1 1 -5  6  39 o 86.777  33.774 24.159    22.597  44.258    52.668  19.624    25.017  104.858 46.632 83.490  34.463 21.36836       57.98541 
1 1 1 -5  6  41 o 150.057 41.307 95.057    34.282  80.110    73.830  99.165    38.707  109.421 51.074 146.346 44.979 -36.92448      68.05621 
1 1 1 -5  6  43 o 150.313 45.950 118.635   40.460  116.675   51.099  121.929   66.241  128.156 50.519 114.597 51.530 13.55877       72.16267 
1 1 1 -5  6  45 o 166.588 39.480 136.334   34.722  118.618   69.294  142.274   40.123  93.078  45.075 153.138 45.526 -60.06005      64.06530 
1 1 1 -5  7  2  o 274.875 14.722 203.715   21.617  196.259   26.501  218.538   37.366  269.328 18.465 283.272 24.855 -13.94394      30.96309 
1 1 1 -5  7  4  o 933.694 18.804 2347.95   94.132  2404.12   133.160 2291.84   133.085 942.673 26.348 920.193 26.976 22.48022       37.70822 
1 1 1 -5  7  6  o 431.434 13.922 500.184   32.203  508.366   45.602  492.045   45.483  434.431 19.579 427.372 19.851 7.059326       27.88168 
1 1 1 -5  7  8  o 868.259 17.997 2028.11   83.776  2015.45   118.482 2040.77   118.472 863.974 25.579 869.424 25.416 -5.449280      36.05917 
1 1 1 -5  7  10 o 940.078 21.943 2379.64   110.595 2481.84   191.503 2328.50   135.469 956.012 37.363 928.809 27.205 27.20306       46.21785 
1 1 1 -5  7  12 o 581.085 21.656 908.693   67.468  908.693   67.468  0.0000    0.0000  581.085 21.656 ?       ?      0.000000       21.65631 
1 1 1 -5  7  14 o 422.080 14.128 478.337   31.971  472.105   36.848  497.319   64.308  419.204 16.395 428.439 28.153 -9.235168      32.57915 
1 1 1 -5  7  16 o 657.580 16.079 1161.77   56.687  1168.55   65.396  1141.26   113.688 659.257 18.502 648.638 32.799 10.61877       37.65738 
1 1 1 -5  7  18 o 642.924 22.628 1114.01   77.997  1115.46   109.939 1112.54   110.672 641.637 31.959 639.922 32.363 1.714661       45.48360 
1 1 1 -5  7  20 f 597.637 18.050 961.411   57.836  960.319   70.619  963.635   100.790 596.688 22.075 594.964 31.712 1.724548       38.63901 
1 1 1 -5  7  22 o 398.026 16.857 426.512   35.973  417.471   44.336  443.931   61.539  392.747 21.134 403.470 28.635 -10.72214      35.58955 
1 1 1 -5  7  24 o 431.893 14.865 502.137   34.420  503.739   48.922  500.566   48.435  431.655 21.140 430.319 20.994 1.336639       29.79320 
1 1 1 -5  7  26 o 207.901 17.080 117.564   18.870  112.611   27.026  122.275   26.358  201.631 25.576 210.672 23.751 -9.040924      34.90306 
1 1 1 -5  7  28 o 442.654 17.739 532.498   42.099  554.648   73.649  521.749   51.307  444.601 31.094 436.046 22.018 8.555145       38.09999 
1 1 1 -5  7  30 o 207.425 20.794 119.633   22.813  68.393    39.932  144.460   27.796  148.336 45.700 227.190 23.143 -78.85376      51.22625 
1 1 1 -5  7  32 o 392.062 17.831 423.669   37.480  425.794   46.113  419.531   64.338  389.597 22.168 377.759 32.071 11.83856       38.98685 
1 1 1 -5  7  34 f 367.849 16.654 374.499   32.844  367.812   46.686  381.051   46.215  357.401 24.512 364.538 23.777 -7.136566      34.14970 
1 1 1 -5  7  36 o 380.162 19.603 412.424   39.819  427.109   68.266  404.852   49.022  363.014 35.531 369.936 24.861 -6.922302      43.36537 
1 1 1 -5  7  38 o 276.692 23.007 231.009   33.820  230.730   60.950  231.133   40.652  233.339 50.209 268.831 28.647 -35.49275      57.80677 
1 1 1 -5  7  40 o 113.907 39.811 53.635    29.944  42.005    41.873  65.809    42.839  101.046 43.290 116.369 46.134 -15.32253      63.26441 
1 1 1 -5  7  42 o 109.304 41.616 58.200    33.781  -16.4702  89.404  70.635    36.486  86.584  43.499 117.564 43.568 -30.98000      61.56528 
1 1 1 -5  7  44 o 104.213 43.181 73.987    39.490  0.0000    0.0000  73.987    39.490  ?       ?      104.213 43.181 0.000000       43.18139 
1 1 1 -5  8  1  o 329.564 15.006 291.737   26.514  308.382   32.605  259.239   45.558  338.206 18.047 308.686 27.827 29.52042       33.16721 
1 1 1 -5  8  3  o 318.436 15.064 272.372   25.718  285.024   31.617  247.630   44.215  325.091 18.214 301.671 27.645 23.42020       33.10585 
1 1 1 -5  8  5  o 813.363 24.086 1782.08   105.030 2043.82   148.893 1522.85   148.178 869.445 31.942 749.436 36.879 120.0087       48.78885 
1 1 1 -5  8  7  o 458.257 16.096 564.124   39.546  594.702   48.488  503.378   68.343  470.301 19.230 430.778 29.774 39.52228       35.44445 
1 1 1 -5  8  9  o 720.244 23.562 1396.49   90.983  1396.49   90.983  0.0000    0.0000  720.244 23.562 ?       ?      0.000000       23.56175 
1 1 1 -5  8  11 o 944.431 22.245 2399.98   112.637 2390.41   137.893 2419.18   195.261 941.652 27.314 944.670 38.554 -3.017395      47.24838 
1 1 1 -5  8  13 o 696.428 23.275 1305.71   86.902  1303.79   122.900 1307.63   122.895 694.422 33.011 695.451 32.961 -1.029541      46.64898 
1 1 1 -5  8  15 o 381.330 13.898 390.479   28.413  412.145   32.784  325.099   56.951  391.677 15.612 345.386 31.089 46.29178       34.78904 
1 1 1 -5  8  17 o 670.701 16.301 1209.27   58.615  1224.03   67.681  1164.98   117.240 674.479 18.717 654.506 33.524 19.97357       38.39457 
1 1 1 -5  8  19 o 461.160 16.994 572.165   42.016  563.978   51.431  588.594   72.852  457.414 20.972 465.168 29.363 -7.753326      36.08327 
1 1 1 -5  8  21 o 897.675 21.840 2175.45   105.109 2156.90   128.529 2212.90   182.631 892.228 26.869 899.029 37.890 -6.801147      46.45039 
1 1 1 -5  8  23 o 580.642 15.603 907.931   48.572  943.164   68.846  873.013   68.537  590.528 21.745 567.962 22.508 22.56519       31.29630 
1 1 1 -5  8  25 o 415.987 14.845 466.686   33.108  475.333   47.040  458.198   46.608  418.042 21.056 410.361 21.258 7.680115       29.92029 
1 1 1 -5  8  27 o 360.730 17.236 353.234   33.335  365.527   58.849  347.426   40.450  360.950 30.702 355.988 21.291 4.961639       37.36238 
1 1 1 -5  8  29 o 197.021 18.155 106.995   18.962  126.204   27.668  89.984    26.037  211.733 24.846 177.011 28.397 34.72269       37.73189 
1 1 1 -5  8  31 o 190.638 21.915 102.452   21.992  106.544   27.268  94.839    37.196  191.991 27.257 173.682 40.663 18.30951       48.95293 
1 1 1 -5  8  33 o 293.976 20.404 243.113   31.959  237.510   37.652  257.554   60.448  287.478 24.669 283.954 40.885 3.523712       47.75085 
1 1 1 -5  8  35 o 211.804 23.353 131.126   26.078  168.146   48.930  116.439   30.820  220.666 42.904 193.937 30.660 26.72890       52.73362 
1 1 1 -5  8  37 o 199.221 23.355 119.513   24.472  140.797   35.479  100.197   33.799  205.656 33.317 167.196 38.501 38.46031       50.91526 
1 1 1 -5  8  39 o 249.583 26.040 196.552   34.331  250.134   47.021  135.379   50.242  269.793 33.209 168.125 51.164 101.6684       60.99686 
1 1 1 -5  8  41 o 203.343 34.614 151.941   36.383  181.228   52.526  124.929   50.444  191.676 50.433 148.008 51.675 43.66826       72.20614 
1 1 1 -5  8  43 o 119.333 53.779 163.968   72.620  0.0000    0.0000  163.968   72.620  ?       ?      119.333 53.779 0.000000       53.77895 
1 1 1 -5  9  2  f 1925.84 32.841 10017.19  339.082 9963.66   479.517 10070.72  479.553 1913.35 46.745 1923.76 46.496 -10.40552      65.93169 
1 1 1 -5  9  4  o 917.298 21.706 2263.02   106.749 2294.09   185.023 2247.51   130.695 920.588 37.488 913.385 26.689 7.203064       46.01773 
1 1 1 -5  9  6  o 434.368 13.789 506.448   32.111  516.998   45.512  495.990   45.312  438.586 19.355 429.564 19.675 9.022430       27.59927 
1 1 1 -5  9  8  o 733.440 16.669 1444.86   65.546  1401.01   92.612  1488.87   92.780  721.468 23.943 743.831 23.265 -22.36267      33.38477 
1 1 1 -5  9  10 o 467.652 16.448 587.440   41.238  564.730   50.454  633.145   71.577  458.265 20.536 483.828 27.709 -25.56339      34.48904 
1 1 1 -5  9  12 o 737.432 19.498 1462.36   77.087  1481.82   94.391  1423.38   133.579 741.761 23.735 725.142 34.359 16.61957       41.76043 
1 1 1 -5  9  14 o 822.233 20.566 1819.57   90.662  1908.49   111.144 1642.74   156.733 841.354 24.640 777.632 37.594 63.72162       44.94887 
1 1 1 -5  9  16 o 1112.42 24.821 3339.64   148.034 3297.35   181.288 3424.26   256.445 1103.41 30.645 1119.07 42.743 -15.65503      52.59375 
1 1 1 -5  9  18 o 862.175 21.268 2004.04   98.308  1997.51   120.460 2017.07   170.110 859.522 26.141 860.077 36.891 -0.5550537     45.21366 
1 1 1 -5  9  20 o 802.165 19.973 1735.19   85.895  1735.19   85.895  0.0000    0.0000  802.165 19.973 ?       ?      0.000000       19.97256 
1 1 1 -5  9  22 o 380.480 14.416 389.627   29.406  377.642   33.907  425.988   59.060  374.302 16.897 394.680 28.095 -20.37778      32.78423 
1 1 1 -5  9  24 o 311.000 17.658 262.391   29.321  294.161   52.055  247.627   35.487  325.801 30.143 301.064 22.141 24.73669       37.40111 
1 1 1 -5  9  26 o 329.809 17.566 296.197   30.948  291.004   53.962  298.743   37.778  321.339 31.737 329.969 21.472 -8.629944      38.31801 
1 1 1 -5  9  28 o 324.809 17.385 288.639   30.165  351.873   52.583  257.622   36.827  353.258 27.993 304.627 22.712 48.63107       36.04811 
1 1 1 -5  9  30 f 434.969 15.213 516.423   35.477  477.406   50.215  555.306   50.129  413.113 22.760 447.510 20.894 -34.39725      30.89611 
1 1 1 -5  9  32 o 484.073 18.644 650.393   48.385  600.041   57.887  767.125   88.140  459.792 23.562 507.518 32.565 -47.72577      40.19501 
1 1 1 -5  9  34 o 204.617 24.907 123.138   26.760  121.746   43.176  124.007   34.099  187.155 43.805 198.990 33.127 -11.83485      54.92035 
1 1 1 -5  9  36 o 235.302 20.015 160.732   25.010  145.411   37.341  173.196   33.681  209.140 34.506 237.234 26.960 -28.09402      43.78919 
1 1 1 -5  9  38 o 130.620 37.674 63.470    27.838  122.930   47.972  33.280    34.183  164.796 49.960 98.494  40.428 66.30230       64.26819 
1 1 1 -5  9  40 o 183.169 31.002 114.975   29.358  170.559   56.694  94.607    34.318  179.273 54.304 151.817 41.139 27.45595       68.12722 
1 1 1 -5  9  42 f 169.881 64.577 282.264   81.260  282.264   81.260  0.0000    0.0000  169.881 64.577 ?       ?      0.000000       64.57674 
1 1 1 -5  10 1  o 1041.62 28.987 2925.77   161.879 0.0000    0.0000  2925.77   161.879 ?       ?      1041.62 28.987 0.000000       28.98730 
1 1 1 -5  10 3  o 1163.18 22.013 3639.32   137.274 3575.65   194.083 3703.07   194.186 1150.91 31.454 1171.37 30.921 -20.46411      44.10724 
1 1 1 -5  10 5  o 1096.58 21.181 3233.92   124.524 3240.22   176.110 3227.62   176.098 1095.86 29.975 1093.72 30.032 2.146606       42.43096 
1 1 1 -5  10 7  o 608.507 17.990 995.050   58.689  985.463   71.927  1014.15   101.520 605.182 22.168 612.058 31.039 -6.876831      38.14266 
1 1 1 -5  10 9  o 900.246 21.575 2180.85   104.132 2072.99   180.171 2234.96   127.603 874.074 38.447 910.531 26.139 -36.45648      46.49135 
1 1 1 -5  10 11 o 964.391 22.356 2504.38   115.591 2493.00   200.045 2510.09   141.628 957.830 38.955 964.405 27.392 -6.575073      47.62169 
1 1 1 -5  10 13 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -5  10 15 o 746.491 19.399 1500.14   77.639  1517.69   95.174  1465.25   134.236 750.068 23.667 734.518 34.087 15.54944       41.49799 
1 1 1 -5  10 17 o 628.744 15.506 1062.99   52.269  1105.15   60.359  936.594   104.519 640.810 17.569 585.990 33.407 54.81934       37.74504 
1 1 1 -5  10 19 o 694.151 16.575 1297.19   61.684  1301.14   71.246  1285.39   123.263 694.714 19.129 686.488 33.491 8.226135       38.56888 
1 1 1 -5  10 21 o 482.707 14.986 627.526   38.784  641.737   44.777  584.840   77.604  487.796 17.122 461.318 31.567 26.47809       35.91130 
1 1 1 -5  10 23 o 119.888 27.614 40.941    17.383  24.033    22.852  64.161    26.780  98.483  34.751 149.258 34.199 -50.77589      48.75689 
1 1 1 -5  10 25 o 522.539 17.149 741.280   48.042  714.132   58.609  796.881   83.876  511.097 21.389 534.595 29.377 -23.49808      36.33869 
1 1 1 -5  10 27 o 308.057 14.742 257.609   24.348  255.675   28.455  262.898   47.049  305.670 17.436 304.530 29.174 1.139404       33.98724 
1 1 1 -5  10 29 o 220.374 16.993 133.769   19.923  152.264   29.244  117.752   27.214  232.331 23.815 203.273 25.535 29.05751       34.91691 
1 1 1 -5  10 31 o 270.725 24.174 208.947   34.718  189.839   44.423  238.934   55.649  251.015 33.874 277.864 38.380 -26.84900      51.19063 
1 1 1 -5  10 33 o 295.380 17.057 243.533   26.897  300.362   39.002  191.991   37.144  323.389 22.638 254.056 27.720 69.33328       35.78905 
1 1 1 -5  10 35 o 264.815 19.066 201.057   26.888  254.678   38.095  147.825   37.957  292.137 24.550 212.093 34.571 80.04440       42.40158 
1 1 1 -5  10 37 o 147.563 39.291 80.345    31.638  100.964   52.501  68.589    39.644  144.907 52.493 128.101 45.711 16.80620       69.60625 
1 1 1 -5  10 39 o 161.055 35.410 93.494    29.743  102.079   56.219  90.157    35.050  134.276 52.971 148.607 42.084 -14.33086      67.65304 
1 1 1 -5  10 41 o 155.016 38.305 98.589    31.651  -16.6153  66.225  132.693   36.032  81.839  40.516 181.568 38.224 -99.72813      55.70085 
1 1 1 -5  11 2  f 289.037 13.463 224.284   20.863  229.316   29.756  219.419   29.259  291.414 19.152 285.017 19.261 6.397797       27.16229 
1 1 1 -5  11 4  o 522.107 14.847 732.083   41.561  722.057   58.707  742.156   58.845  518.029 21.138 525.212 20.898 -7.182556      29.72434 
1 1 1 -5  11 6  o 685.946 18.922 1265.22   69.587  1249.14   85.261  1297.30   120.432 681.022 23.352 692.515 32.437 -11.49347      39.96836 
1 1 1 -5  11 8  f 787.664 20.111 1669.26   84.925  1742.36   147.254 1632.83   103.955 801.925 34.250 778.256 24.915 23.66895       42.35329 
1 1 1 -5  11 10 o 1164.83 22.138 3654.62   138.253 3760.72   195.558 3548.60   195.479 1178.94 30.940 1144.89 31.847 34.04578       44.40119 
1 1 1 -5  11 12 o 838.756 18.083 1892.41   81.318  1812.72   114.861 1972.50   115.141 819.361 26.147 854.948 25.120 -35.58667      36.25871 
1 1 1 -5  11 14 o 922.109 21.834 2292.11   107.943 2211.20   131.976 2455.63   187.609 904.289 27.222 949.545 36.853 -45.25677      45.81630 
1 1 1 -5  11 16 o 1124.81 24.774 3420.11   149.396 3420.11   149.396 0.0000    0.0000  1124.81 24.774 ?       ?      0.000000       24.77362 
1 1 1 -5  11 18 f 462.856 17.046 577.177   42.300  578.630   51.519  574.171   74.100  462.880 20.760 458.221 30.334 4.658569       36.75785 
1 1 1 -5  11 20 f 683.409 16.732 1260.30   61.306  1263.37   70.674  1250.96   123.222 683.502 19.286 673.031 34.263 10.47028       39.31766 
1 1 1 -5  11 22 o 471.429 30.659 616.700   77.069  0.0000    0.0000  616.700   77.069  ?       ?      471.429 30.659 0.000000       30.65917 
1 1 1 -5  11 24 o 314.697 15.254 268.250   25.737  259.211   29.718  295.371   51.477  308.207 18.064 324.269 29.948 -16.06296      34.97403 
1 1 1 -5  11 26 o 186.063 20.914 96.254    20.501  96.254    20.501  0.0000    0.0000  186.063 20.914 ?       ?      0.000000       20.91388 
1 1 1 -5  11 28 o 296.960 18.672 243.346   29.576  284.282   37.767  178.433   47.558  319.212 22.206 243.645 37.619 75.56660       43.68446 
1 1 1 -5  11 30 f 287.757 19.577 230.896   30.023  234.217   38.435  225.698   48.088  286.186 25.311 274.820 33.319 11.36688       41.84218 
1 1 1 -5  11 32 o 114.504 28.154 40.050    17.162  52.802    26.866  31.258    22.307  127.316 37.094 101.339 34.403 25.97746       50.59138 
1 1 1 -5  11 34 o 220.731 21.179 141.436   24.756  141.740   43.257  141.289   30.188  201.025 41.511 216.007 26.631 -14.98239      49.31923 
1 1 1 -5  11 36 o 162.792 30.388 85.309    25.547  57.209    52.054  94.225    29.320  118.850 49.439 168.107 33.706 -49.25681      59.83519 
1 1 1 -5  11 38 o 181.968 28.992 107.529   27.335  75.674    55.764  117.604   31.362  122.270 51.042 186.345 32.578 -64.07481      60.55212 
1 1 1 -5  11 40 o 156.652 45.439 114.392   40.395  107.509   62.732  119.267   52.797  122.527 52.751 139.501 52.268 -16.97401      74.26050 
1 1 1 -5  12 1  o 844.739 18.079 1918.76   81.877  1880.88   115.701 1956.77   115.882 835.022 25.845 851.797 25.375 -16.77576      36.21923 
1 1 1 -5  12 3  o 855.259 21.018 1968.97   96.373  1911.94   118.002 2083.19   167.011 841.830 26.145 876.349 35.546 -34.51898      44.12633 
1 1 1 -5  12 5  o 469.945 14.504 593.211   36.543  568.772   51.701  617.610   51.659  459.659 20.979 479.068 20.113 -19.40945      29.06314 
1 1 1 -5  12 7  o 691.397 16.430 1284.86   60.904  1192.33   86.072  1377.65   86.191  665.008 24.142 715.095 22.482 -50.08630      32.98845 
1 1 1 -5  12 9  o 351.404 19.696 333.401   36.958  378.339   52.685  289.864   51.858  373.388 26.490 325.953 30.012 47.43478       40.03055 
1 1 1 -5  12 11 o 656.072 16.098 1157.27   56.624  1187.56   80.173  1127.13   79.984  663.656 22.533 646.460 23.078 17.19647       32.25377 
1 1 1 -5  12 13 o 510.984 14.896 701.968   40.809  694.609   57.682  709.343   57.744  507.544 21.198 512.927 20.998 -5.383240      29.83755 
1 1 1 -5  12 15 o 271.435 20.046 199.821   28.966  199.821   28.966  0.0000    0.0000  271.435 20.046 ?       ?      0.000000       20.04625 
1 1 1 -5  12 17 o 380.463 20.405 392.456   41.470  392.456   41.470  0.0000    0.0000  380.463 20.405 ?       ?      0.000000       20.40479 
1 1 1 -5  12 19 o 465.223 21.318 587.420   53.170  635.317   73.943  536.139   76.511  480.568 28.833 439.706 32.690 40.86258       43.58811 
1 1 1 -5  12 21 o 411.173 14.482 456.672   31.926  450.434   36.650  476.299   65.007  407.829 16.762 414.056 29.476 -6.226959      33.90891 
1 1 1 -5  12 23 o 139.164 19.886 53.872    14.415  53.380    16.375  55.566    30.389  137.715 22.988 137.160 39.305 0.5550537      45.53368 
1 1 1 -5  12 25 f 233.485 18.675 150.007   23.182  150.007   23.182  0.0000    0.0000  233.485 18.675 ?       ?      0.000000       18.67507 
1 1 1 -5  12 27 o 232.592 16.434 148.545   20.361  161.938   23.319  105.561   41.775  242.308 18.080 183.366 43.204 58.94226       46.83438 
1 1 1 -5  12 29 o 197.187 27.536 113.184   28.317  103.781   42.537  120.666   37.946  177.886 44.666 197.707 37.164 -19.82103      58.10492 
1 1 1 -5  12 31 o 172.938 27.708 89.383    24.822  130.256   33.974  42.580    36.355  206.323 31.730 116.385 43.419 89.93843       53.77683 
1 1 1 -5  12 33 o 183.116 19.418 96.101    18.772  106.237   21.583  64.616    38.041  191.330 21.408 132.361 44.926 58.96901       49.76582 
1 1 1 -5  12 35 o 153.785 41.531 86.310    35.046  -7.2012   67.762  120.457   40.948  99.326  47.144 181.671 42.753 -82.34509      63.64240 
1 1 1 -5  12 37 o 132.607 33.972 61.077    24.260  40.536    48.227  68.036    28.070  106.211 45.987 136.812 37.262 -30.60062      59.18843 
1 1 1 -5  12 39 o 123.992 43.630 70.887    35.996  93.981    59.722  57.710    45.112  121.616 51.891 108.351 45.612 13.26576       69.08783 
1 1 1 -5  13 2  o 450.398 16.499 545.407   39.840  539.267   48.624  557.949   69.495  447.519 20.266 453.299 28.744 -5.780365      35.17021 
1 1 1 -5  13 4  o 865.048 26.121 2021.06   121.143 1988.67   171.236 2053.51   171.408 854.753 37.367 868.773 36.801 -14.02008      52.44560 
1 1 1 -5  13 6  o 682.240 23.334 1255.52   85.350  1321.91   120.539 1188.78   120.869 698.083 32.207 660.644 34.243 37.43903       47.00908 
1 1 1 -5  13 8  o 845.542 21.037 1927.02   95.365  1907.27   116.691 1966.73   165.478 840.015 25.911 849.629 36.328 -9.614441      44.62158 
1 1 1 -5  13 10 o 502.879 17.165 680.680   46.278  691.363   56.910  659.827   79.511  506.302 20.966 492.105 30.284 14.19653       36.83303 
1 1 1 -5  13 12 o 273.291 30.652 205.691   44.137  205.691   44.137  0.0000    0.0000  273.291 30.652 ?       ?      0.000000       30.65208 
1 1 1 -5  13 14 o 601.663 18.171 976.855   58.615  1017.98   71.809  894.754   101.466 613.295 21.839 570.478 33.320 42.81720       39.83924 
1 1 1 -5  13 16 o 253.601 16.738 174.367   22.630  183.965   27.740  155.270   39.130  259.892 20.064 235.718 31.772 24.17488       37.57727 
1 1 1 -5  13 18 o 338.152 21.430 312.215   38.651  312.215   38.651  0.0000    0.0000  338.152 21.430 ?       ?      0.000000       21.43040 
1 1 1 -5  13 20 o 277.637 14.587 208.926   21.637  207.760   24.585  212.934   45.568  276.396 16.669 274.937 31.482 1.458344       35.62223 
1 1 1 -5  13 22 o 174.060 19.371 83.653    17.770  79.824    20.880  93.714    33.846  168.760 23.733 178.464 36.602 -9.703964      43.62320 
1 1 1 -5  13 24 f 334.355 14.621 303.465   26.209  320.372   30.148  251.149   53.032  342.992 16.395 294.504 34.226 48.48792       37.94992 
1 1 1 -5  13 26 o 233.777 20.559 152.032   25.505  154.316   32.132  148.142   41.933  232.975 26.179 222.563 36.401 10.41232       44.83729 
1 1 1 -5  13 28 o 185.963 21.033 97.585    20.601  91.999    24.755  110.170   37.157  177.820 26.798 187.952 38.176 -10.13222      46.64301 
1 1 1 -5  13 30 o 223.782 19.456 141.396   23.110  114.056   27.633  205.023   42.155  196.344 26.963 260.613 30.764 -64.26935      40.90710 
1 1 1 -5  13 32 o 153.585 27.236 71.561    21.606  71.561    21.606  0.0000    0.0000  153.585 27.236 ?       ?      0.000000       27.23640 
1 1 1 -5  13 34 o 173.488 39.667 104.445   36.092  98.145    65.886  107.146   43.141  144.782 57.271 167.903 46.387 -23.12154      73.70023 
1 1 1 -5  13 36 o 106.112 42.892 40.072    37.775  130.468   74.196  8.4424    43.889  148.362 60.062 90.225  41.114 58.13681       72.78625 
1 1 1 -5  13 38 o 53.736  24.858 -7.1440   16.894  -7.3344   18.588  -6.2403   40.493  56.196  26.024 77.873  36.808 -21.67698      45.07851 
1 1 1 -5  14 1  o 588.641 15.453 932.196   48.767  948.746   68.961  915.638   68.974  592.808 21.698 582.297 22.094 10.51105       30.96663 
1 1 1 -5  14 3  o 540.615 15.011 786.129   43.508  780.908   61.387  791.399   61.673  537.894 21.287 541.503 21.243 -3.608765      30.07332 
1 1 1 -5  14 5  o 746.571 19.822 1503.34   79.338  1501.67   97.060  1506.70   137.727 745.008 24.300 742.760 34.586 2.248108       42.26907 
1 1 1 -5  14 7  o 555.103 15.398 829.340   45.825  826.242   64.900  832.419   64.712  552.935 21.893 555.028 21.747 -2.092773      30.85805 
1 1 1 -5  14 9  o 629.893 18.642 1070.62   62.955  1031.13   77.244  1148.76   108.648 617.014 23.351 648.631 31.243 -31.61676      39.00482 
1 1 1 -5  14 11 o 627.133 15.894 1060.07   53.441  1083.63   75.613  1036.55   75.541  632.398 22.301 618.364 22.786 14.03479       31.88359 
1 1 1 -5  14 13 o 365.925 14.224 360.802   27.905  369.195   39.866  352.739   39.074  368.644 20.248 360.295 20.311 8.348785       28.67973 
1 1 1 -5  14 15 o 530.583 15.231 759.965   43.327  752.285   61.418  767.573   61.131  525.979 21.780 531.407 21.457 -5.428650      30.57377 
1 1 1 -5  14 17 o 462.881 14.780 578.845   36.678  579.727   51.805  577.958   51.936  461.434 20.941 460.700 21.027 0.7340393      29.67583 
1 1 1 -5  14 19 o 256.752 15.483 179.143   21.213  178.194   25.106  181.511   39.660  255.343 18.464 253.968 29.688 1.374725       34.96091 
1 1 1 -5  14 21 o 289.132 21.509 230.499   33.104  230.499   33.104  0.0000    0.0000  289.132 21.509 ?       ?      0.000000       21.50948 
1 1 1 -5  14 23 o 513.431 17.760 720.045   48.887  684.291   59.923  791.205   84.538  497.758 22.455 528.501 29.959 -30.74307      37.43984 
1 1 1 -5  14 25 o 293.404 15.291 235.379   23.970  229.344   27.602  253.891   48.340  288.553 17.931 296.163 30.899 -7.610657      35.72516 
1 1 1 -5  14 27 o 376.219 15.039 387.701   30.333  362.576   34.913  465.066   61.265  362.168 17.981 400.079 28.754 -37.91144      33.91335 
1 1 1 -5  14 29 o 210.089 19.526 124.625   21.742  124.067   25.429  126.142   41.922  207.471 23.262 195.628 41.269 11.84332       47.37350 
1 1 1 -5  14 31 o 130.789 30.312 53.245    20.840  53.245    20.840  0.0000    0.0000  130.789 30.312 ?       ?      0.000000       30.31210 
1 1 1 -5  14 33 o 63.693  27.857 0.4989    18.073  -7.3259   20.980  23.011    35.586  62.371  28.423 97.620  40.765 -35.24904      49.69583 
1 1 1 -5  14 35 o 138.318 29.195 61.355    20.970  72.247    23.929  25.304    43.534  148.920 30.980 99.267  43.329 49.65304       53.26492 
1 1 1 -5  14 37 o 125.941 34.770 57.968    24.248  57.968    24.248  0.0000    0.0000  125.941 34.770 ?       ?      0.000000       34.76970 
1 1 1 -5  15 2  o 460.410 20.680 573.578   51.046  0.0000    0.0000  573.578   51.046  ?       ?      460.410 20.680 0.000000       20.67963 
1 1 1 -5  15 4  o 730.660 19.592 1443.39   76.749  1341.84   132.549 1494.61   94.134  696.868 35.596 742.064 23.661 -45.19653      42.74276 
1 1 1 -5  15 6  o 823.550 18.059 1831.99   79.738  1884.31   112.930 1779.97   112.602 832.194 25.311 808.508 25.977 23.68573       36.26948 
1 1 1 -5  15 8  o 566.668 17.899 867.723   54.380  871.219   66.866  860.894   93.455  566.651 22.010 559.046 31.306 7.604858       38.26912 
1 1 1 -5  15 10 o 477.159 17.127 615.259   43.815  602.030   76.697  621.668   53.384  466.907 30.812 478.729 20.799 -11.82233      37.17547 
1 1 1 -5  15 12 o 352.704 19.967 338.572   37.602  372.147   55.028  309.163   51.501  367.170 28.169 334.166 29.035 33.00443       40.45390 
1 1 1 -5  15 14 o 178.324 17.818 87.006    16.807  91.653    30.224  84.925    20.222  179.121 32.677 175.227 22.012 3.893402       39.39891 
1 1 1 -5  15 16 o 155.546 19.660 66.837    16.029  84.801    32.745  61.177    18.381  170.387 36.912 147.620 24.054 22.76733       44.05805 
1 1 1 -5  15 18 o 143.882 23.085 58.145    17.206  82.640    36.627  51.209    19.490  166.193 41.290 133.520 28.115 32.67274       49.95366 
1 1 1 -5  15 20 o 464.776 17.564 588.438   43.765  612.417   54.699  545.776   72.960  472.225 21.605 439.213 31.187 33.01245       37.93929 
1 1 1 -5  15 22 o 212.297 18.728 124.374   21.098  124.374   21.098  0.0000    0.0000  212.297 18.728 ?       ?      0.000000       18.72803 
1 1 1 -5  15 24 o 193.783 18.807 104.354   19.293  97.159    21.991  128.397   40.201  185.488 22.580 205.207 37.938 -19.71957      44.14865 
1 1 1 -5  15 26 o 234.277 19.765 153.724   24.594  147.325   29.681  167.742   43.931  226.558 24.844 233.844 36.212 -7.285736      43.91461 
1 1 1 -5  15 28 o 164.160 22.457 77.524    19.246  62.653    21.825  129.527   40.813  143.967 29.274 200.778 39.322 -56.81126      49.02200 
1 1 1 -5  15 30 o 216.998 32.093 144.588   36.210  154.344   59.181  138.749   45.780  201.503 53.779 202.146 43.528 -0.6422119     69.18749 
1 1 1 -5  15 32 o 231.429 22.624 155.818   27.712  124.787   33.928  218.013   48.033  198.525 33.038 260.582 35.289 -62.05666      48.34084 
1 1 1 -5  15 34 o 221.931 21.790 144.966   25.592  131.327   29.973  181.665   49.166  205.536 27.923 223.693 42.551 -18.15744      50.89460 
1 1 1 -5  15 36 o 221.898 32.159 166.801   37.144  166.801   37.144  0.0000    0.0000  221.898 32.159 ?       ?      0.000000       32.15945 
1 1 1 -5  16 1  o 339.164 16.062 310.631   29.206  318.596   35.948  295.163   50.095  342.316 19.670 326.776 28.892 15.54016       34.95206 
1 1 1 -5  16 3  o 331.501 13.980 296.225   24.846  347.419   35.194  245.363   35.080  357.819 18.408 299.712 21.985 58.10748       28.67394 
1 1 1 -5  16 5  o 320.641 16.166 278.386   27.700  268.951   33.934  297.229   47.955  314.249 20.249 328.314 27.497 -14.06552      34.14864 
1 1 1 -5  16 7  f 545.382 15.321 803.022   44.799  838.268   63.576  768.261   63.136  555.374 21.352 531.398 22.161 23.97650       30.77343 
1 1 1 -5  16 9  o 518.697 15.182 726.597   42.219  759.536   59.884  694.046   59.531  528.494 21.135 504.898 21.992 23.59506       30.50149 
1 1 1 -5  16 11 o 501.556 17.334 681.428   46.610  649.647   80.100  697.698   57.313  483.293 31.078 506.236 21.117 -22.94315      37.57382 
1 1 1 -5  16 13 o 398.440 14.095 428.808   30.110  443.485   42.971  414.652   42.203  403.703 19.854 389.738 20.267 13.96497       28.37144 
1 1 1 -5  16 15 o 335.837 14.871 305.181   26.776  327.046   38.587  284.876   37.185  345.490 20.931 322.115 21.658 23.37485       30.11923 
1 1 1 -5  16 17 o 381.897 21.415 400.766   43.669  400.766   43.669  0.0000    0.0000  381.897 21.415 ?       ?      0.000000       21.41473 
1 1 1 -5  16 19 o 299.678 14.856 243.740   23.869  270.340   35.891  222.645   31.962  312.818 21.531 283.908 21.150 28.91058       30.18147 
1 1 1 -5  16 21 o 242.741 19.636 163.099   25.336  159.083   30.469  172.099   45.610  237.778 24.240 240.653 36.495 -2.874802      43.81191 
1 1 1 -5  16 23 o 212.329 17.321 124.629   19.546  127.057   22.003  115.544   42.562  213.580 19.428 190.791 42.678 22.78903       46.89174 
1 1 1 -5  16 25 o 217.839 20.828 133.557   24.028  133.557   24.028  0.0000    0.0000  217.839 20.828 ?       ?      0.000000       20.82791 
1 1 1 -5  16 27 o 239.345 26.278 166.289   33.165  166.289   33.165  0.0000    0.0000  239.345 26.278 ?       ?      0.000000       26.27815 
1 1 1 -5  16 29 o 267.576 21.603 203.908   30.727  202.815   37.371  206.188   53.983  262.705 26.913 250.755 41.614 11.94983       49.55849 
1 1 1 -5  16 31 o 171.536 28.034 89.478    24.891  99.026    29.042  63.055    48.312  177.908 31.606 130.328 49.732 47.58069       58.92557 
1 1 1 -5  16 33 o 129.297 34.310 56.568    24.178  54.392    27.818  63.291    48.889  123.785 38.144 124.452 49.301 -0.6671143     62.33427 
1 1 1 -5  17 2  o 428.958 20.475 500.246   47.087  500.246   47.087  0.0000    0.0000  428.958 20.475 ?       ?      0.000000       20.47472 
1 1 1 -5  17 4  o 383.073 14.203 396.077   29.171  388.537   41.731  403.281   40.792  377.421 20.702 384.803 19.840 -7.381927      28.67452 
1 1 1 -5  17 6  o 146.855 17.457 59.222    13.475  50.238    19.544  67.363    18.605  132.663 28.339 155.508 23.010 -22.84509      36.50394 
1 1 1 -5  17 8  o 278.890 16.851 211.400   25.077  273.244   46.064  185.352   29.896  313.807 27.663 259.888 21.653 53.91891       35.12960 
1 1 1 -5  17 10 o 398.852 14.572 429.956   31.161  476.819   44.872  386.308   43.305  418.520 19.998 375.651 21.593 42.86954       29.43106 
1 1 1 -5  17 12 o 248.441 15.554 167.777   20.613  154.472   30.648  178.766   27.854  235.885 24.596 255.202 20.531 -19.31676      32.03933 
1 1 1 -5  17 14 o 172.735 19.822 82.459    18.024  106.618   24.707  54.975    26.353  195.438 24.090 136.683 35.606 58.75536       42.98964 
1 1 1 -5  17 16 o 206.594 19.294 117.650   21.123  117.102   27.826  118.396   32.449  203.855 26.056 203.130 30.758 0.7249908      40.31096 
1 1 1 -5  17 18 o 326.284 15.200 289.568   26.589  328.784   38.620  254.229   36.661  344.846 20.989 302.246 22.792 42.59924       30.98408 
1 1 1 -5  17 20 o 190.581 27.894 104.693   27.657  128.452   37.008  74.639    41.624  207.971 34.393 152.843 46.582 55.12891       57.90326 
1 1 1 -5  17 22 o 387.043 23.428 421.149   48.385  513.575   70.028  336.717   66.931  420.066 31.319 333.513 38.117 86.55319       49.33348 
1 1 1 -5  17 24 o 269.526 19.603 202.424   28.133  197.735   33.872  212.854   50.514  263.772 24.223 264.697 36.572 -0.9254456     43.86630 
1 1 1 -5  17 26 o 174.760 32.915 92.912    29.708  92.912    29.708  0.0000    0.0000  174.760 32.915 ?       ?      0.000000       32.91460 
1 1 1 -5  17 28 o 172.134 24.472 86.392    21.948  99.525    25.202  45.155    44.658  183.842 26.321 121.157 47.389 62.68498       54.20792 
1 1 1 -5  17 30 o 84.986  33.112 18.060    21.738  18.718    25.271  16.188    42.626  88.328  35.300 98.680  42.979 -10.35148      55.61744 
1 1 1 -5  17 32 o 82.042  34.422 13.510    25.553  13.510    25.553  0.0000    0.0000  82.042  34.422 ?       ?      0.000000       34.42186 
1 1 1 -5  18 1  o 337.868 14.365 308.520   26.021  307.028   36.465  310.069   37.144  335.080 20.395 336.648 20.680 -1.568207      29.04499 
1 1 1 -5  18 3  o 371.336 14.162 372.584   28.195  393.917   40.233  351.996   39.524  379.889 19.823 358.780 20.635 21.10980       28.61336 
1 1 1 -5  18 5  f 348.840 13.961 328.783   26.111  376.619   37.459  283.572   36.416  371.700 18.859 321.657 21.236 50.04364       28.40148 
1 1 1 -5  18 7  o 625.029 16.074 1058.64   53.864  1134.28   76.555  984.484   75.801  643.846 22.178 599.021 23.603 44.82422       32.38737 
1 1 1 -5  18 9  o 301.361 14.684 245.812   23.725  281.434   34.694  214.520   32.516  320.457 20.298 279.090 21.907 41.36655       29.86557 
1 1 1 -5  18 11 o 183.361 20.912 93.169    20.190  103.009   25.219  75.605    33.693  191.590 25.160 158.952 39.665 32.63747       46.97181 
1 1 1 -5  18 13 o 297.719 17.739 242.501   28.185  266.168   34.677  196.424   48.384  310.751 20.936 259.909 35.663 50.84149       41.35395 
1 1 1 -5  18 15 o 255.673 18.967 179.983   25.813  210.981   32.649  128.295   42.160  275.585 22.288 206.526 39.516 69.05907       45.36800 
1 1 1 -5  18 17 o 137.926 21.412 53.680    15.320  38.937    24.544  63.092    19.610  115.084 35.890 148.342 25.581 -33.25816      44.07349 
1 1 1 -5  18 19 o 123.923 31.397 45.727    20.884  102.859   40.554  25.108    24.363  181.311 42.466 98.382  35.741 82.92899       55.50430 
1 1 1 -5  18 21 o 68.438  27.340 7.7002    15.152  7.6437    24.261  7.7362    19.401  80.987  33.725 74.667  30.530 6.320297       45.49182 
1 1 1 -5  18 23 o 145.772 32.752 64.283    24.972  64.283    24.972  0.0000    0.0000  145.772 32.752 ?       ?      0.000000       32.75181 
1 1 1 -5  18 25 o 299.480 19.867 250.901   31.717  250.519   38.369  251.726   56.362  296.170 24.380 285.274 37.781 10.89566       44.96420 
1 1 1 -5  18 27 o 171.622 25.436 86.451    22.696  66.355    27.029  134.494   41.792  144.434 35.222 203.551 39.721 -59.11665      53.08825 
1 1 1 -5  18 29 o 217.225 26.549 141.024   30.276  141.024   30.276  0.0000    0.0000  217.225 26.549 ?       ?      0.000000       26.54937 
1 1 1 -5  19 2  o 59.067  24.279 3.4717    12.350  0.9534    20.429  4.9220    15.504  70.952  30.313 66.557  27.262 4.395004       40.76897 
1 1 1 -5  19 4  o 258.875 14.553 182.091   20.116  195.844   28.591  168.608   28.308  266.909 20.128 247.077 21.587 19.83224       29.51519 
1 1 1 -5  19 6  o 305.924 14.766 253.668   24.218  271.761   35.143  237.306   33.420  314.243 20.980 293.406 21.393 20.83633       29.96392 
1 1 1 -5  19 8  o 287.617 15.202 225.070   23.359  235.142   34.029  216.095   32.122  291.724 21.918 279.721 21.586 12.00253       30.76280 
1 1 1 -5  19 10 o 213.450 19.088 125.532   21.614  123.854   28.103  127.962   33.817  209.820 25.507 211.149 30.778 -1.329025      39.97345 
1 1 1 -5  19 12 o 277.255 16.089 209.857   23.813  228.122   34.090  192.453   33.277  286.759 22.351 262.611 23.897 24.14774       32.72027 
1 1 1 -5  19 14 o 293.397 15.211 234.641   23.844  282.818   35.972  196.882   31.846  319.820 21.098 266.016 22.541 53.80411       30.87425 
1 1 1 -5  19 16 o 189.866 20.626 100.351   20.658  121.308   37.434  91.174    24.772  202.174 35.849 178.678 26.676 23.49657       44.68501 
1 1 1 -5  19 18 o 240.257 17.111 158.626   21.896  179.626   33.590  143.109   28.874  252.285 25.170 225.345 24.283 26.93941       34.97426 
1 1 1 -5  19 20 o 160.809 34.425 77.925    28.784  77.925    28.784  0.0000    0.0000  160.809 34.425 ?       ?      0.000000       34.42515 
1 1 1 -5  19 22 o 187.398 29.501 103.145   28.660  191.272   61.925  79.123    32.331  239.830 49.790 159.092 38.354 80.73763       62.84945 
1 1 1 -5  19 24 o 148.260 27.796 65.192    21.282  83.188    25.562  24.535    38.422  166.914 29.651 105.438 43.021 61.47600       52.24936 
1 1 1 -5  19 26 o 192.134 37.491 118.345   37.233  108.908   55.818  125.909   49.975  167.928 54.340 187.035 49.183 -19.10666      73.29269 
1 1 1 -5  20 1  f 319.946 17.040 279.316   29.124  283.406   35.652  271.114   50.491  320.904 20.835 309.115 30.880 11.78891       37.25149 
1 1 1 -5  20 3  o 294.154 18.003 236.702   28.255  230.682   49.055  239.691   34.564  283.914 32.833 294.550 22.047 -10.63605      39.54834 
1 1 1 -5  20 5  o 253.989 15.058 175.581   20.413  200.401   30.032  154.270   27.829  269.571 20.944 235.874 22.270 33.69786       30.57149 
1 1 1 -5  20 7  o 331.834 21.107 303.305   37.356  361.812   55.927  256.176   50.195  358.207 29.380 299.813 31.709 58.39319       43.22765 
1 1 1 -5  20 9  o 333.935 17.868 304.948   31.874  339.773   57.447  289.458   38.313  345.698 31.336 323.576 22.220 22.12210       38.41439 
1 1 1 -5  20 11 o 182.941 22.902 93.675    21.971  26.420    41.128  120.532   25.990  113.571 45.146 207.522 23.789 -93.95139      51.03061 
1 1 1 -5  20 13 o 331.287 21.936 303.865   38.740  0.0000    0.0000  303.865   38.740  ?       ?      331.287 21.936 0.000000       21.93580 
1 1 1 -5  20 15 o 208.696 28.552 124.735   31.108  188.053   52.976  91.411    38.432  249.463 41.037 172.072 42.022 77.39043       58.73584 
1 1 1 -5  20 17 o 415.766 18.285 474.338   40.759  617.419   79.916  424.033   47.386  462.123 32.462 390.050 22.759 72.07373       39.64476 
1 1 1 -5  20 19 o 277.405 20.432 214.164   30.173  227.216   65.842  210.695   33.948  265.656 47.995 273.605 23.367 -7.949005      53.38123 
1 1 1 -5  20 21 o 217.100 31.490 139.794   35.583  198.546   63.293  112.643   43.027  243.139 50.217 186.337 43.807 56.80220       66.63980 
1 1 1 -5  20 23 o 268.453 20.776 203.185   29.670  236.329   38.178  152.644   47.146  286.480 25.110 216.792 42.080 69.68829       49.00286 
1 1 1 -5  21 2  o 136.372 26.891 53.381    18.962  42.002    23.352  75.406    32.489  119.828 34.489 158.662 38.569 -38.83375      51.74028 
1 1 1 -5  21 4  o 232.749 19.033 148.940   23.542  143.439   29.961  157.817   38.061  226.306 25.118 235.014 30.961 -8.707764      39.86872 
1 1 1 -5  21 6  o 126.502 24.336 45.636    15.906  70.176    30.525  36.489    18.635  153.228 37.470 111.994 30.301 41.23390       48.18856 
1 1 1 -5  21 8  o 154.239 23.319 67.038    18.681  28.878    33.245  84.647    22.584  109.734 41.403 173.082 25.067 -63.34776      48.39988 
1 1 1 -5  21 10 o 150.436 25.078 64.396    19.514  60.746    33.059  66.348    24.175  141.581 41.118 150.712 30.955 -9.131561      51.46754 
1 1 1 -5  21 12 o 214.807 18.017 127.041   20.558  146.809   29.705  108.872   28.479  228.534 24.634 195.084 28.035 33.45082       37.31961 
1 1 1 -5  21 14 o 149.035 23.465 63.090    18.129  93.087    28.364  42.371    23.573  178.613 30.728 119.285 34.744 59.32782       46.38226 
1 1 1 -5  21 16 o 187.163 23.575 99.167    23.132  107.248   31.699  89.962    33.831  190.686 32.150 171.430 37.824 19.25664       49.64154 
1 1 1 -5  21 18 o 121.058 31.896 44.207    20.991  51.757    57.611  43.052    22.541  134.951 53.500 119.146 33.751 15.80531       63.25657 
1 1 1 -5  22 1  o 265.389 16.279 192.461   23.051  214.522   34.379  174.442   31.070  277.553 23.319 250.052 23.450 27.50079       33.07073 
1 1 1 -5  22 3  o 235.051 17.709 151.665   22.152  153.238   31.688  150.161   30.980  233.288 25.766 231.050 25.431 2.237244       36.20230 
1 1 1 -5  22 5  o 183.298 22.121 93.929    21.300  115.347   27.045  58.946    34.564  202.096 25.530 139.424 42.439 62.67215       49.52596 
1 1 1 -5  22 7  o 243.504 24.584 166.386   31.655  175.484   44.204  156.808   45.353  245.031 34.612 229.396 38.221 15.63443       51.56422 
1 1 1 -5  22 9  o 183.708 29.784 97.682    28.330  129.842   39.921  65.054    40.210  208.588 37.055 145.004 46.038 63.58363       59.09802 
1 1 1 -5  22 11 o 321.201 19.129 284.530   32.792  293.984   40.640  266.889   55.514  324.211 23.541 301.443 35.001 22.76764       42.18138 
1 1 1 -5  22 13 f 260.329 25.619 192.216   35.293  192.216   35.293  0.0000    0.0000  260.329 25.619 ?       ?      0.000000       25.61881 
1 1 1 -4  0  2  o 745.493 33.998 1505.96   135.241 1505.96   135.241 1505.96   135.241 745.493 33.998 745.493 33.998 0.000000       0.000000 
1 1 1 -4  0  4  o 264.740 18.304 190.821   25.695  190.821   25.695  190.821   25.695  264.740 18.304 264.740 18.304 -0.000000      0.000000 
1 1 1 -4  0  6  o 56.770  23.060 12.058    6.8817  12.058    6.8817  12.058    6.8817  56.770  23.060 56.770  23.060 0.000000       0.000000 
1 1 1 -4  0  8  f 355.410 27.178 345.957   51.091  345.957   51.091  345.957   51.091  355.410 27.178 355.410 27.178 0.000000       0.000000 
1 1 1 -4  0  10 f 930.113 27.041 2338.12   134.585 2338.12   134.585 2338.12   134.585 930.113 27.041 930.113 27.041 0.000000       0.000000 
1 1 1 -4  0  12 o 526.112 20.677 748.591   58.118  748.591   58.118  748.591   58.118  526.112 20.677 526.112 20.677 0.000000       0.000000 
1 1 1 -4  0  14 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  16 o 971.731 27.690 2554.69   143.995 2554.69   143.995 2554.69   143.995 971.731 27.690 971.731 27.690 0.000000       0.000000 
1 1 1 -4  0  18 o 125.928 25.719 47.588    15.356  47.588    15.356  47.588    15.356  125.928 25.719 125.928 25.719 0.000000       0.000000 
1 1 1 -4  0  20 o 551.480 30.505 825.956   89.561  825.956   89.561  825.956   89.561  551.480 30.505 551.480 30.505 0.000000       0.000000 
1 1 1 -4  0  22 o 298.767 19.995 242.879   31.699  242.879   31.699  242.879   31.699  298.767 19.995 298.767 19.995 -0.000000      0.000000 
1 1 1 -4  0  24 o 455.390 29.904 565.588   72.289  565.588   72.289  565.588   72.289  455.390 29.904 455.390 29.904 -0.000000      0.000000 
1 1 1 -4  0  26 o 36.020  24.356 -6.7517   13.824  -6.7517   13.824  -6.7517   13.824  36.020  24.356 36.020  24.356 -0.000000      0.000000 
1 1 1 -4  0  28 o 688.279 33.900 1289.94   124.402 1289.94   124.402 1289.94   124.402 688.279 33.900 688.279 33.900 -0.000000      0.000000 
1 1 1 -4  0  30 o 576.870 22.457 900.866   69.215  900.866   69.215  900.866   69.215  576.870 22.457 576.870 22.457 -0.000000      0.000000 
1 1 1 -4  0  32 o 349.961 21.411 334.487   39.828  334.487   39.828  334.487   39.828  349.961 21.411 349.961 21.411 -0.000000      0.000000 
1 1 1 -4  0  34 o 398.930 32.428 445.327   68.303  445.327   68.303  445.327   68.303  398.930 32.428 398.930 32.428 -0.000000      0.000000 
1 1 1 -4  0  36 o 68.488  41.422 13.980    27.968  13.980    27.968  13.980    27.968  68.488  41.422 68.488  41.422 -0.000000      0.000000 
1 1 1 -4  0  38 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -4  0  40 o 61.766  39.605 5.0866    29.695  5.0866    29.695  5.0866    29.695  61.766  39.605 61.766  39.605 -0.000000      0.000000 
1 1 1 -4  0  42 o 258.273 52.157 222.107   63.982  222.107   63.982  222.107   63.982  258.273 52.157 258.273 52.157 -0.000000      0.000000 
1 1 1 -4  0  44 f 103.814 55.874 52.367    43.039  52.367    43.039  52.367    43.039  103.814 55.874 103.814 55.874 -0.000000      0.000000 
1 1 1 -4  0  46 o 150.038 62.840 104.434   50.710  104.434   50.710  104.434   50.710  150.038 62.840 150.038 62.840 -0.000000      0.000000 
1 1 1 -4  1  1  o 593.590 17.631 946.952   56.109  953.653   68.731  933.564   97.152  595.312 21.535 587.013 30.980 8.298218       37.72886 
1 1 1 -4  1  3  o 556.476 17.074 832.133   50.940  795.279   88.230  850.561   62.389  541.731 30.502 562.283 20.696 -20.55182      36.86073 
1 1 1 -4  1  5  o 261.743 12.714 183.919   17.841  182.503   25.253  185.330   25.209  259.899 18.239 261.932 18.062 -2.033539      25.66853 
1 1 1 -4  1  7  o 102.490 13.177 28.676    7.0728  25.197    10.021  32.129    9.9842  94.941  20.302 107.868 17.891 -12.92690      27.06014 
1 1 1 -4  1  9  o 153.769 18.274 64.579    14.770  59.968    20.840  69.232    20.937  146.431 27.557 157.993 25.593 -11.56134      37.60851 
1 1 1 -4  1  11 o 787.886 17.306 1673.51   73.101  1580.80   103.365 1766.28   103.397 763.318 25.258 807.367 23.887 -44.04840      34.76430 
1 1 1 -4  1  13 o 192.624 14.991 100.577   15.359  88.108    26.582  106.825   18.818  177.419 28.944 198.098 17.912 -20.67876      34.03834 
1 1 1 -4  1  15 o 189.934 13.185 97.544    13.343  98.749    18.799  96.321    18.941  190.295 18.666 187.847 19.072 2.447769       26.68660 
1 1 1 -4  1  17 o 180.453 13.573 88.048    13.035  78.943    18.331  97.362    18.540  169.803 20.555 189.153 18.519 -19.35014      27.66697 
1 1 1 -4  1  19 o 241.533 19.383 158.052   24.888  142.669   35.214  173.405   35.180  227.723 29.538 251.987 26.434 -24.26370      39.63916 
1 1 1 -4  1  21 o 315.490 13.852 267.350   23.430  272.732   33.120  261.958   33.151  317.743 19.537 311.325 19.967 6.417999       27.93482 
1 1 1 -4  1  23 o 352.764 16.206 334.679   30.651  302.357   52.930  350.987   37.596  332.680 29.998 360.470 19.527 -27.79037      35.79374 
1 1 1 -4  1  25 o 437.751 16.816 516.029   39.467  514.239   48.299  519.627   68.464  436.489 20.639 436.280 29.442 0.2080688      35.95597 
1 1 1 -4  1  27 o 252.408 21.952 173.719   29.411  173.719   29.411  0.0000    0.0000  252.408 21.952 ?       ?      0.000000       21.95215 
1 1 1 -4  1  29 o 409.226 21.013 455.681   45.946  401.034   63.954  513.973   66.052  380.220 31.661 431.983 28.683 -51.76288      42.72169 
1 1 1 -4  1  31 o 462.945 17.663 583.049   43.838  602.895   54.052  544.900   74.939  469.112 21.491 439.247 32.043 29.86462       38.58285 
1 1 1 -4  1  33 o 176.093 29.028 90.349    26.450  97.976    40.484  84.669    34.938  175.855 43.242 164.985 39.929 10.87000       58.85745 
1 1 1 -4  1  35 o 280.076 16.979 217.706   25.374  182.824   35.245  255.241   36.561  250.401 26.664 299.224 22.966 -48.82344      35.19056 
1 1 1 -4  1  37 o 90.448  32.276 24.099    19.765  27.571    27.269  20.256    28.688  97.577  37.333 91.829  37.287 5.748024       52.76474 
1 1 1 -4  1  39 o 188.376 30.046 114.964   29.325  108.295   51.066  118.245   35.820  151.152 52.036 182.062 37.929 -30.91000      64.39230 
1 1 1 -4  1  41 o 254.120 28.009 215.782   37.527  166.922   44.886  329.223   68.395  197.678 43.531 264.997 49.973 -67.31940      66.27365 
1 1 1 -4  1  43 o 198.614 36.070 156.411   36.993  151.789   46.608  164.280   60.815  167.577 48.867 144.542 55.643 23.03484       74.05473 
1 1 1 -4  1  45 o 103.945 40.646 65.650    32.847  53.093    46.209  78.476    46.702  87.288  40.630 97.973  43.717 -10.68461      59.68253 
1 1 1 -4  1  47 o 56.055  28.282 -29.2181  40.030  25.873    66.987  -59.8188  49.924  67.664  34.401 55.521  28.358 12.14328       44.58298 
1 1 1 -4  2  2  o 849.227 17.761 1938.76   80.865  2005.75   114.368 1871.78   114.353 862.628 24.729 833.156 25.601 29.47156       35.59395 
1 1 1 -4  2  4  o 312.962 12.990 262.991   21.795  256.573   25.174  282.201   43.554  309.026 15.194 322.462 25.398 -13.43588      29.59630 
1 1 1 -4  2  6  o 200.800 12.594 108.701   13.490  107.866   19.085  109.535   19.071  199.427 18.045 200.997 17.884 -1.570297      25.40610 
1 1 1 -4  2  8  o 327.798 18.691 290.400   32.712  278.677   46.285  302.100   46.240  319.612 27.272 333.100 26.101 -13.48727      37.74956 
1 1 1 -4  2  10 o 761.917 17.021 1564.25   69.530  1498.14   98.319  1630.38   98.342  743.535 24.664 775.999 23.638 -32.46417      34.16229 
1 1 1 -4  2  12 o 142.196 13.152 54.870    9.9131  45.984    13.924  64.003    14.116  128.750 20.888 153.018 17.523 -24.26828      27.26477 
1 1 1 -4  2  14 o 305.230 15.233 251.089   24.928  261.556   30.571  230.322   43.061  310.607 18.441 289.190 28.130 21.41736       33.63552 
1 1 1 -4  2  16 o 263.483 13.170 186.686   18.604  198.015   26.426  175.553   26.195  270.352 18.340 254.323 19.357 16.02901       26.66559 
1 1 1 -4  2  18 o 277.047 15.486 207.019   22.909  197.981   28.137  224.794   39.459  270.414 19.539 287.224 25.903 -16.80923      32.44607 
1 1 1 -4  2  20 f 521.143 17.164 730.241   47.957  711.352   83.321  739.599   58.645  511.811 30.504 524.093 20.871 -12.28152      36.96057 
1 1 1 -4  2  22 o 242.395 16.356 158.687   21.132  135.353   36.264  170.684   26.003  221.352 31.441 251.056 19.471 -29.70361      36.98207 
1 1 1 -4  2  24 o 139.832 18.386 53.566    13.449  36.799    19.652  68.338    18.446  114.504 31.174 157.539 22.477 -43.03444      38.43208 
1 1 1 -4  2  26 o 130.795 23.661 47.721    15.981  51.157    20.055  41.743    26.451  134.651 28.661 122.668 37.078 11.98308       46.86356 
1 1 1 -4  2  28 o 114.518 28.831 37.232    17.689  23.249    22.105  62.132    29.498  97.263  34.193 147.018 37.350 -49.75424      50.63756 
1 1 1 -4  2  30 o 409.893 17.579 455.640   38.632  369.033   66.303  500.153   47.534  361.505 34.633 428.497 20.691 -66.99149      40.34347 
1 1 1 -4  2  32 o 106.385 31.190 32.949    18.942  81.028    37.222  16.146    22.005  161.894 42.386 87.109  33.487 74.78442       54.01827 
1 1 1 -4  2  34 o 441.818 18.178 539.671   43.058  488.081   52.096  650.889   76.491  415.413 23.488 471.782 30.403 -56.36893      38.41906 
1 1 1 -4  2  36 o 260.985 18.153 191.294   25.242  169.657   35.219  214.149   36.196  238.368 28.098 270.646 25.237 -32.27812      37.76779 
1 1 1 -4  2  38 o 113.195 35.702 43.766    24.213  61.064    30.640  15.002    39.510  129.928 40.032 93.009  40.920 36.91982       57.24487 
1 1 1 -4  2  40 o 115.308 35.985 50.567    24.668  92.001    37.732  19.635    32.600  144.890 44.388 86.017  37.522 58.87362       58.12191 
1 1 1 -4  2  42 o 67.778  30.844 3.3670    24.599  27.303    37.385  -14.9091  32.667  87.127  38.979 65.986  31.702 21.14101       50.24273 
1 1 1 -4  2  44 o 102.630 42.391 63.557    37.884  83.178    45.626  19.996    67.982  108.230 45.733 82.567  40.907 25.66378       61.35834 
1 1 1 -4  2  46 o 106.560 45.967 117.375   47.823  114.385   76.501  119.292   61.270  84.416  42.082 92.675  44.224 -8.259621      61.04586 
1 1 1 -4  3  1  o 629.829 15.509 1066.20   52.370  1052.80   74.052  1079.61   74.072  625.006 22.099 632.955 21.828 -7.948975      31.06188 
1 1 1 -4  3  3  o 96.738  14.845 25.729    7.4535  26.048    9.1304  25.091    12.905  96.820  18.259 94.731  25.033 2.089661       30.98413 
1 1 1 -4  3  5  o 475.621 16.366 608.415   41.732  611.949   51.109  601.344   72.291  476.612 20.001 470.368 28.805 6.244446       35.06834 
1 1 1 -4  3  7  o 224.674 14.531 136.305   17.410  123.798   21.262  161.749   30.327  213.528 18.763 243.531 23.520 -30.00232      30.08761 
1 1 1 -4  3  9  o 162.044 12.552 71.011    10.820  61.726    15.182  80.593    15.423  150.026 19.324 172.128 16.932 -22.10194      25.69291 
1 1 1 -4  3  11 o 111.177 13.793 33.776    8.0448  29.929    11.520  37.437    11.239  103.266 21.507 116.313 18.653 -13.04703      28.46935 
1 1 1 -4  3  13 o 140.640 20.086 54.558    14.715  58.390    20.518  50.500    21.115  144.046 27.572 133.315 30.237 10.73053       40.92044 
1 1 1 -4  3  15 o 156.197 15.566 66.336    12.861  66.149    15.480  66.754    23.112  155.443 18.968 154.191 29.023 1.251419       34.67192 
1 1 1 -4  3  17 o 413.516 15.975 459.933   35.416  421.277   43.305  538.007   61.543  394.799 20.530 445.284 25.891 -50.48575      33.04279 
1 1 1 -4  3  19 o 251.131 15.917 170.171   21.320  144.929   36.803  182.921   26.156  229.447 30.687 260.073 18.888 -30.62512      36.03365 
1 1 1 -4  3  21 o 277.146 14.093 206.860   20.872  191.666   29.460  222.173   29.575  265.987 20.825 286.681 19.355 -20.69412      28.43049 
1 1 1 -4  3  23 o 449.058 16.799 542.582   40.445  539.482   49.429  548.862   70.355  447.353 20.609 449.004 29.388 -1.650970      35.89447 
1 1 1 -4  3  25 o 597.261 18.130 961.547   58.055  944.157   70.989  996.665   100.880 590.978 22.405 604.027 31.258 -13.04962      38.45884 
1 1 1 -4  3  27 o 123.083 30.392 43.018    19.935  44.423    30.992  42.027    26.037  127.258 40.419 122.649 36.722 4.609116       54.60998 
1 1 1 -4  3  29 o 296.212 15.611 237.633   24.704  243.960   35.275  231.543   34.607  298.608 22.193 290.822 22.367 7.786072       31.50905 
1 1 1 -4  3  31 o 611.909 16.369 1017.84   53.702  919.672   76.353  1113.94   75.546  576.570 24.701 636.497 22.138 -59.92743      33.16959 
1 1 1 -4  3  33 o 209.339 21.516 123.037   23.804  97.151    42.154  135.156   28.843  173.388 44.968 217.757 25.170 -44.36850      51.53271 
1 1 1 -4  3  35 o 103.062 31.906 32.372    19.437  31.980    23.354  33.255    35.066  103.170 35.199 109.012 42.171 -5.842674      54.93102 
1 1 1 -4  3  37 o 216.388 19.193 133.615   22.035  112.780   31.455  153.693   30.878  188.852 32.223 226.845 25.851 -37.99309      41.31068 
1 1 1 -4  3  39 o 108.497 36.052 42.637    24.503  54.105    41.243  36.381    30.462  113.837 45.223 100.822 39.221 13.01460       59.86148 
1 1 1 -4  3  41 o 104.996 38.957 47.286    29.190  37.129    49.744  52.620    36.049  95.223  43.538 105.972 42.222 -10.74915      60.64929 
1 1 1 -4  3  43 o 167.624 34.678 109.705   30.136  92.012    44.536  124.649   40.930  121.115 47.338 156.174 45.866 -35.05968      65.91327 
1 1 1 -4  3  45 o 119.302 45.591 101.977   40.637  111.108   54.085  90.139    61.580  105.073 46.954 92.463  44.181 12.60945       64.47220 
1 1 1 -4  3  47 o 104.331 42.571 103.375   37.623  148.757   57.725  69.861    49.606  92.205  43.691 76.370  37.245 15.83481       57.41097 
1 1 1 -4  4  2  o 1166.34 25.613 3681.07   160.161 3663.11   277.496 3690.03   196.125 1152.36 44.916 1165.02 31.400 -12.66333      54.80296 
1 1 1 -4  4  4  o 273.518 12.780 201.035   18.741  190.087   26.527  211.944   26.480  264.937 18.798 279.974 17.733 -15.03696      25.84194 
1 1 1 -4  4  6  o 331.400 15.188 295.529   26.985  292.441   33.006  301.755   46.864  328.804 18.801 332.564 26.504 -3.760162      32.49534 
1 1 1 -4  4  8  o 710.830 19.088 1364.07   72.746  1369.57   89.109  1353.07   125.960 711.014 23.376 702.873 33.426 8.140808       40.78899 
1 1 1 -4  4  10 o 468.418 13.906 590.648   34.923  566.328   49.290  615.164   49.489  457.634 20.089 477.109 19.347 -19.47409      27.89080 
1 1 1 -4  4  12 o 305.038 18.676 252.239   30.396  252.927   43.000  251.552   42.974  303.716 26.678 302.865 26.740 0.8502197      37.77254 
1 1 1 -4  4  14 o 797.476 17.248 1713.77   73.745  1765.57   104.346 1662.08   104.236 807.429 24.105 783.167 24.825 24.26251       34.60249 
1 1 1 -4  4  16 o 153.234 15.967 63.831    12.925  63.880    15.420  63.714    23.697  152.814 19.248 150.638 30.391 2.175308       35.97349 
1 1 1 -4  4  18 o 533.974 17.215 766.588   49.283  694.371   85.273  802.807   60.390  505.476 31.625 546.092 20.627 -40.61633      37.75694 
1 1 1 -4  4  20 o 403.446 16.259 437.477   35.168  417.419   61.025  447.451   43.033  391.874 29.257 407.769 19.684 -15.89499      35.26260 
1 1 1 -4  4  22 o 439.946 16.546 520.596   39.028  535.767   68.385  513.268   47.528  443.875 28.894 436.467 20.311 7.407867       35.31815 
1 1 1 -4  4  24 o 238.773 14.910 153.954   18.991  143.206   27.259  164.091   26.474  229.155 22.477 245.804 20.270 -16.64915      30.26662 
1 1 1 -4  4  26 o 387.665 16.938 405.108   35.203  390.973   43.336  432.532   60.362  379.632 21.379 397.585 28.507 -17.95279      35.63337 
1 1 1 -4  4  28 o 404.796 14.883 441.887   32.299  460.407   46.303  424.332   45.078  411.446 21.061 394.871 21.373 16.57520       30.00620 
1 1 1 -4  4  30 o 253.198 18.262 175.296   24.624  191.708   43.892  167.759   29.745  259.727 32.212 246.324 22.782 13.40395       39.45410 
1 1 1 -4  4  32 o 93.031  29.806 24.470    16.826  30.883    23.219  17.378    24.415  104.490 35.101 90.441  35.133 14.04868       49.66246 
1 1 1 -4  4  34 o 131.598 25.437 50.856    17.297  73.703    27.803  36.431    22.093  154.294 34.479 109.380 34.042 44.91403       48.45212 
1 1 1 -4  4  36 o 188.918 19.350 101.482   19.322  117.081   28.821  88.746    26.041  197.246 28.044 170.316 29.593 26.92986       40.77008 
1 1 1 -4  4  38 o 73.293  29.930 11.263    18.616  5.2300    26.662  17.000    26.003  76.445  33.624 84.727  35.068 -8.282578      48.58324 
1 1 1 -4  4  40 o 67.251  31.831 -12.4184  30.474  0.0000    0.0000  -12.4184  30.474  ?       ?      67.251  31.831 0.000000       31.83122 
1 1 1 -4  4  42 o 142.811 34.693 78.634    26.300  36.303    36.353  125.120   38.096  92.413  39.970 168.870 42.197 -76.45725      58.12251 
1 1 1 -4  4  44 o 89.146  40.842 46.214    44.079  46.214    44.079  0.0000    0.0000  89.146  40.842 ?       ?      0.000000       40.84232 
1 1 1 -4  4  46 o 87.499  38.812 60.328    36.255  31.441    52.653  86.372    49.996  72.794  36.053 88.284  41.471 -15.48963      54.95179 
1 1 1 -4  5  1  o 683.248 18.708 1259.36   68.531  1275.45   83.903  1227.11   118.782 686.548 22.795 669.963 33.070 16.58563       40.16479 
1 1 1 -4  5  3  o 322.273 12.882 279.263   22.258  277.033   31.465  281.496   31.491  319.956 18.421 322.554 18.285 -2.597900      25.95513 
1 1 1 -4  5  5  o 154.650 14.594 64.941    11.957  61.931    14.638  70.975    20.727  150.384 18.549 159.916 24.993 -9.532471      31.12423 
1 1 1 -4  5  7  o 444.922 13.907 532.756   33.173  554.272   46.977  511.353   46.852  452.983 19.343 434.961 20.091 18.02167       27.88931 
1 1 1 -4  5  9  o 234.426 14.855 148.592   18.574  156.360   22.776  133.172   32.091  240.058 17.824 219.407 27.913 20.65105       33.11858 
1 1 1 -4  5  11 o 494.948 16.659 660.285   44.205  689.383   54.156  602.194   76.519  505.131 19.997 468.708 30.619 36.42288       36.57037 
1 1 1 -4  5  13 o 98.713  15.663 26.862    8.0124  26.799    11.084  26.931    11.596  97.731  21.717 97.910  22.556 -0.1795044     31.31111 
1 1 1 -4  5  15 o 672.279 18.558 1216.46   66.887  1146.82   81.836  1356.60   116.088 651.972 23.412 707.494 30.605 -55.52118      38.53315 
1 1 1 -4  5  17 o 792.773 20.224 1691.30   85.958  1675.61   148.973 1699.13   105.246 785.970 35.353 793.847 24.728 -7.877014      43.14339 
1 1 1 -4  5  19 o 295.817 19.718 236.486   31.092  229.659   43.641  243.523   44.309  290.224 28.412 299.009 27.964 -8.785553      39.86517 
1 1 1 -4  5  21 o 233.536 16.718 147.421   20.793  128.164   35.369  157.592   25.704  215.203 31.596 241.076 20.070 -25.87312      37.43112 
1 1 1 -4  5  23 o 321.156 14.305 277.319   24.630  274.062   34.870  280.562   34.794  318.106 20.556 321.918 20.263 -3.811462      28.86451 
1 1 1 -4  5  25 f 324.683 21.250 286.090   36.786  286.090   36.786  0.0000    0.0000  324.683 21.250 ?       ?      0.000000       21.24989 
1 1 1 -4  5  27 o 781.650 17.484 1650.06   73.270  1624.12   103.766 1675.86   103.474 772.466 25.056 784.893 24.590 -12.42621      35.10598 
1 1 1 -4  5  29 o 201.080 17.952 110.594   19.149  112.255   27.749  109.083   26.459  200.307 26.489 197.695 25.562 2.611420       36.81196 
1 1 1 -4  5  31 o 332.700 15.295 301.099   27.282  316.046   39.283  287.173   37.919  337.692 21.814 321.685 22.121 16.00620       31.06762 
1 1 1 -4  5  33 o 243.527 21.031 166.430   27.189  160.636   35.050  175.185   43.083  235.016 28.393 241.488 34.235 -6.471130      44.47690 
1 1 1 -4  5  35 o 205.189 31.915 128.853   33.968  128.853   33.968  0.0000    0.0000  205.189 31.915 ?       ?      0.000000       31.91529 
1 1 1 -4  5  37 o 293.958 20.283 248.811   31.770  254.749   58.957  246.381   37.713  269.512 42.187 287.843 24.677 -18.33160      48.87383 
1 1 1 -4  5  39 o 102.720 36.743 39.096    25.629  -14.5857  44.225  66.240    31.448  78.721  37.567 128.352 40.710 -49.63116      55.39426 
1 1 1 -4  5  41 o 127.124 35.424 62.675    25.043  80.800    34.962  43.574    35.890  132.614 43.016 99.477  41.188 33.13741       59.55515 
1 1 1 -4  5  43 o 116.265 41.399 68.414    32.501  52.692    39.287  102.511   57.854  98.187  41.995 112.742 49.561 -14.55511      64.96047 
1 1 1 -4  5  45 o 138.078 53.278 184.077   55.855  114.729   76.617  262.741   81.600  89.603  44.214 120.870 55.448 -31.26683      70.91788 
1 1 1 -4  6  2  o 244.352 14.560 161.304   18.987  145.484   32.767  169.301   23.297  229.744 27.125 249.939 17.496 -20.19496      32.27857 
1 1 1 -4  6  4  f 510.124 20.487 703.493   56.031  673.435   79.138  733.706   79.341  495.905 29.906 518.128 28.674 -22.22247      41.43110 
1 1 1 -4  6  6  o 496.457 20.409 666.227   54.322  0.0000    0.0000  666.227   54.322  ?       ?      496.457 20.409 0.000000       20.40898 
1 1 1 -4  6  8  o 197.536 14.918 105.630   15.683  120.530   27.431  98.396    19.115  209.395 24.925 190.010 19.019 19.38513       31.35223 
1 1 1 -4  6  10 o 358.439 13.527 345.437   25.994  352.399   30.045  324.714   51.839  361.864 15.487 344.673 28.303 17.19089       32.26247 
1 1 1 -4  6  12 o 529.905 14.640 754.852   41.593  737.856   48.022  805.891   83.217  523.636 17.105 544.645 28.599 -21.00909      33.32404 
1 1 1 -4  6  14 o 810.783 35.588 1784.61   154.695 1784.61   154.695 0.0000    0.0000  810.783 35.588 ?       ?      0.000000       35.58787 
1 1 1 -4  6  16 o 486.719 14.531 636.224   37.918  628.765   53.449  643.781   53.801  483.399 20.624 489.147 20.515 -5.748016      29.08957 
1 1 1 -4  6  18 o 810.442 25.093 1770.96   109.032 1759.41   154.053 1782.55   154.336 805.415 35.676 810.739 35.507 -5.323792      50.33440 
1 1 1 -4  6  20 o 325.252 16.081 284.413   28.042  283.179   48.114  285.048   34.509  322.389 28.119 324.760 19.916 -2.371216      34.45714 
1 1 1 -4  6  22 o 187.357 15.415 95.045    15.347  84.597    21.676  105.547   21.731  175.413 23.651 196.732 20.924 -21.31976      31.57877 
1 1 1 -4  6  24 o 479.938 21.187 622.216   54.516  622.216   54.516  0.0000    0.0000  479.938 21.187 ?       ?      0.000000       21.18695 
1 1 1 -4  6  26 o 252.470 15.695 172.477   21.140  149.121   29.671  196.555   30.126  233.131 24.086 268.624 21.088 -35.49335      32.01327 
1 1 1 -4  6  28 o 691.112 16.906 1293.39   62.639  1221.50   88.724  1364.83   88.448  667.783 24.782 706.727 23.343 -38.94403      34.04491 
1 1 1 -4  6  30 o 546.728 18.266 816.555   53.542  715.590   92.793  866.946   65.555  498.606 34.933 561.129 21.791 -62.52255      41.17242 
1 1 1 -4  6  32 o 38.206  18.643 -22.1654  12.476  -22.0977  18.776  -22.2189  16.694  51.626  24.593 47.460  22.765 4.165607       33.51159 
1 1 1 -4  6  34 o 126.761 27.555 48.219    18.192  33.822    28.078  58.635    23.883  106.932 38.436 137.420 32.861 -30.48796      50.56853 
1 1 1 -4  6  36 o 253.397 18.882 182.278   25.468  193.409   38.400  173.536   34.028  252.017 28.946 240.605 26.837 11.41164       39.47229 
1 1 1 -4  6  38 o 242.600 22.747 176.789   29.240  204.219   57.119  167.048   34.038  221.668 49.333 229.357 28.280 -7.688309      56.86376 
1 1 1 -4  6  40 o 87.391  33.636 26.374    22.219  26.532    55.721  26.344    24.229  94.610  44.231 87.625  34.709 6.984329       56.22311 
1 1 1 -4  6  42 o 64.519  29.992 -3.0434   25.048  -15.9457  42.673  3.7391    30.939  72.339  35.111 72.525  33.582 -0.1865463     48.58533 
1 1 1 -4  6  44 o 68.080  33.663 -16.7318  45.214  -64.3643  70.830  16.026    58.739  69.372  35.280 78.388  38.686 -9.016594      52.35744 
1 1 1 -4  7  1  o 328.523 14.797 290.395   26.062  302.196   31.952  266.943   45.045  334.375 17.889 312.472 27.158 21.90314       32.52047 
1 1 1 -4  7  3  o 496.029 14.382 661.861   38.248  675.107   54.149  648.671   54.033  500.125 20.195 490.174 20.561 9.950928       28.81982 
1 1 1 -4  7  5  o 553.860 17.105 826.183   50.791  841.407   62.222  795.782   87.926  558.318 20.787 540.010 30.495 18.30737       36.90544 
1 1 1 -4  7  7  o 388.924 15.677 406.931   32.688  409.872   56.769  405.472   39.981  387.959 27.471 387.878 19.226 0.8120728E-01  33.53030 
1 1 1 -4  7  9  o 145.159 13.141 57.067    10.116  60.987    14.500  53.351    14.119  149.389 18.500 139.425 19.415 9.963989       26.81833 
1 1 1 -4  7  11 o 624.081 15.479 1046.63   51.792  1116.76   73.313  976.755   73.177  643.953 21.235 602.041 22.671 41.91174       31.06318 
1 1 1 -4  7  13 o 522.656 29.804 740.289   83.168  740.289   83.168  0.0000    0.0000  522.656 29.804 ?       ?      0.000000       29.80394 
1 1 1 -4  7  15 o 479.437 20.467 618.327   52.610  601.185   74.284  635.578   74.520  470.947 29.571 484.411 28.824 -13.46408      41.29455 
1 1 1 -4  7  17 o 586.066 15.354 922.714   48.244  880.540   68.031  965.381   68.427  571.847 22.190 598.867 21.312 -27.01935      30.76674 
1 1 1 -4  7  19 o 392.629 13.980 414.144   29.429  372.128   41.412  457.012   41.829  371.100 20.899 412.074 18.933 -40.97424      28.20021 
1 1 1 -4  7  21 o 314.189 14.129 265.341   23.800  255.407   33.832  275.075   33.488  307.095 20.669 318.895 19.683 -11.80057      28.54202 
1 1 1 -4  7  23 o 627.818 22.668 1065.54   76.298  1065.54   76.298  0.0000    0.0000  627.818 22.668 ?       ?      0.000000       22.66788 
1 1 1 -4  7  25 o 409.126 16.926 451.500   37.125  432.400   63.038  461.642   45.937  396.735 29.856 412.526 20.838 -15.79074      36.40825 
1 1 1 -4  7  27 o 415.513 17.373 467.504   38.701  470.644   65.866  465.848   47.828  411.829 30.038 413.088 21.671 -1.258728      37.03984 
1 1 1 -4  7  29 o 275.110 18.554 207.468   27.206  192.906   47.818  214.438   33.082  257.855 35.534 278.345 22.357 -20.48987      41.98184 
1 1 1 -4  7  31 o 184.883 19.007 95.039    18.572  74.789    27.721  111.529   25.015  157.834 33.780 198.437 24.001 -40.60275      41.43849 
1 1 1 -4  7  33 o 252.763 17.128 177.165   23.074  197.922   33.635  158.712   31.713  263.057 24.117 234.407 25.653 28.64998       35.20986 
1 1 1 -4  7  35 o 146.361 31.654 67.130    24.116  61.128    27.763  85.581    48.675  136.068 37.056 149.554 50.818 -13.48595      62.89399 
1 1 1 -4  7  37 o 406.339 24.508 496.462   53.142  451.747   78.935  533.530   71.869  351.703 42.741 402.811 33.585 -51.10822      54.35753 
1 1 1 -4  7  39 o 165.766 29.443 91.343    25.208  23.237    40.526  134.328   32.195  91.597  40.809 199.358 31.141 -107.7614      51.33310 
1 1 1 -4  7  41 o 233.993 27.635 182.132   33.999  183.786   46.870  180.296   49.392  208.124 43.410 198.585 47.104 9.538727       64.05597 
1 1 1 -4  7  43 o 182.254 33.496 129.327   31.523  -12.7822  60.445  182.418   36.945  76.506  38.018 218.652 32.505 -142.1464      50.01997 
1 1 1 -4  7  45 o 56.526  28.630 -55.4801  43.482  -86.9599  66.436  -31.8909  57.510  61.522  31.523 64.869  32.864 -3.346828      45.53801 
1 1 1 -4  8  2  o 209.529 12.882 118.351   14.401  128.358   20.361  108.333   20.372  217.739 17.592 199.697 19.267 18.04257       26.09011 
1 1 1 -4  8  4  o 93.749  14.725 24.184    7.1572  24.230    10.784  24.148    9.5684  92.978  21.980 92.962  19.805 0.1554871E-01  29.58619 
1 1 1 -4  8  6  o 79.766  22.815 17.545    10.248  21.222    14.743  14.107    14.256  89.034  27.824 77.563  27.440 11.47091       39.07874 
1 1 1 -4  8  8  o 493.113 14.372 653.019   37.995  636.802   53.738  669.230   53.727  486.484 20.604 498.762 20.092 -12.27841      28.77863 
1 1 1 -4  8  10 o 497.973 16.786 666.260   44.814  694.670   77.523  652.002   54.920  506.582 28.661 492.315 20.807 14.26660       35.41771 
1 1 1 -4  8  12 o 581.450 17.470 908.433   54.461  889.875   66.632  945.779   94.525  575.121 21.610 591.193 29.920 -16.07172      36.90791 
1 1 1 -4  8  14 o 266.177 15.669 190.958   22.262  203.141   27.310  166.828   38.435  274.264 18.684 246.860 29.633 27.40366       35.03160 
1 1 1 -4  8  16 o 297.685 15.517 238.728   24.679  259.231   30.383  198.968   42.311  309.945 18.366 269.728 29.754 40.21695       34.96593 
1 1 1 -4  8  18 o 882.862 21.348 2100.12   101.048 2070.14   123.686 2160.29   175.225 875.370 26.355 891.000 36.681 -15.63049      45.16745 
1 1 1 -4  8  20 o 541.659 15.159 788.917   44.022  734.628   62.002  844.107   62.515  521.777 22.164 559.520 20.840 -37.74243      30.42297 
1 1 1 -4  8  22 f 311.645 21.525 263.519   35.744  263.519   35.744  0.0000    0.0000  311.645 21.525 ?       ?      0.000000       21.52518 
1 1 1 -4  8  24 o 360.880 14.701 350.732   28.444  360.363   40.850  341.668   39.630  364.339 21.002 354.746 20.930 9.592834       29.65021 
1 1 1 -4  8  26 o 95.146  27.816 25.376    15.085  13.916    26.464  30.892    18.360  91.580  36.275 104.705 30.709 -13.12588      47.52806 
1 1 1 -4  8  28 o 238.157 19.097 155.787   24.179  135.843   41.865  165.770   29.619  214.992 37.695 244.476 22.863 -29.48433      44.08686 
1 1 1 -4  8  30 f 246.254 16.548 166.429   21.721  168.971   31.724  164.186   29.802  244.820 24.499 241.876 23.269 2.943726       33.78772 
1 1 1 -4  8  32 o 370.383 15.525 376.221   30.829  401.600   44.266  352.319   42.959  377.902 21.943 353.224 22.807 24.67783       31.64877 
1 1 1 -4  8  34 o 289.367 20.137 236.937   31.045  208.118   36.991  305.600   57.098  266.300 26.250 313.749 34.515 -47.44879      43.36302 
1 1 1 -4  8  36 o 314.004 17.737 280.033   29.738  229.974   42.092  329.923   42.021  271.671 29.366 333.815 23.632 -62.14490      37.69431 
1 1 1 -4  8  38 o 193.417 27.134 118.953   27.363  100.551   35.682  145.221   42.632  161.003 41.175 193.853 42.216 -32.85043      58.97054 
1 1 1 -4  8  40 o 126.291 42.241 69.776    33.625  52.594    51.051  82.941    44.687  105.263 46.404 126.789 47.962 -21.52576      66.73573 
1 1 1 -4  8  42 o 97.300  40.026 45.497    33.599  98.295    88.417  36.586    36.324  101.679 49.617 90.734  39.593 10.94479       63.47808 
1 1 1 -4  8  44 o 78.735  38.554 31.819    54.755  6.1481    100.451 42.670    65.311  76.980  39.391 80.629  39.973 -3.649155      56.12070 
1 1 1 -4  9  1  o 491.264 14.412 647.971   37.958  669.373   53.713  626.620   53.650  498.941 20.080 482.696 20.731 16.24500       28.86127 
1 1 1 -4  9  3  o 415.480 19.466 464.063   43.362  494.688   61.623  434.027   61.027  427.569 27.021 400.144 28.636 27.42529       39.37245 
1 1 1 -4  9  5  o 381.975 15.595 391.819   31.937  410.467   39.256  355.317   54.923  390.805 18.736 361.886 28.540 28.91852       34.14011 
1 1 1 -4  9  7  o 656.567 18.288 1158.36   64.376  1181.05   78.904  1113.18   111.334 662.589 22.212 641.175 32.494 21.41357       39.35992 
1 1 1 -4  9  9  o 313.216 27.075 266.312   45.019  266.312   45.019  0.0000    0.0000  313.216 27.075 ?       ?      0.000000       27.07524 
1 1 1 -4  9  11 o 432.866 16.227 503.275   37.658  496.259   64.951  506.828   46.220  428.033 28.465 434.178 19.856 -6.144989      34.70652 
1 1 1 -4  9  13 o 314.573 13.493 265.672   22.756  247.796   31.600  284.928   32.796  302.925 19.562 324.988 18.905 -22.06284      27.20362 
1 1 1 -4  9  15 o 488.831 16.630 642.289   43.583  638.748   53.314  649.422   75.670  487.149 20.413 489.362 28.971 -2.212646      35.44014 
1 1 1 -4  9  17 o 511.542 14.795 703.221   40.575  704.312   46.837  699.936   81.233  511.727 17.072 507.517 29.988 4.210052       34.50656 
1 1 1 -4  9  19 o 563.239 15.172 853.017   45.816  839.154   52.897  894.650   91.669  558.339 17.671 573.538 29.916 -15.19940      34.74486 
1 1 1 -4  9  21 o 779.823 20.269 1641.01   84.743  1663.27   103.863 1596.67   146.571 783.836 24.715 763.893 35.789 19.94330       43.49320 
1 1 1 -4  9  23 o 572.694 15.373 883.749   47.202  881.883   54.521  889.332   94.313  571.590 17.791 569.225 31.021 2.365601       35.76104 
1 1 1 -4  9  25 o 160.310 22.942 71.446    19.155  87.905    36.226  65.058    22.569  173.340 39.819 151.342 28.868 21.99802       49.18233 
1 1 1 -4  9  27 o 112.596 33.876 36.490    22.118  18.215    38.629  45.402    26.978  106.312 43.230 124.698 37.390 -18.38615      57.15635 
1 1 1 -4  9  29 o 82.710  28.842 17.811    15.712  23.835    20.513  9.2581    24.441  94.449  32.953 83.072  34.152 11.37677       47.45802 
1 1 1 -4  9  31 o 206.404 18.177 118.419   19.909  148.665   30.748  96.584    26.125  227.680 25.635 182.032 27.638 45.64786       37.69673 
1 1 1 -4  9  33 o 349.056 19.709 342.549   36.733  311.336   43.902  415.409   67.074  327.980 25.159 367.764 34.419 -39.78464      42.63347 
1 1 1 -4  9  35 o 204.209 21.244 121.174   22.918  124.208   32.943  118.329   31.903  197.528 32.219 192.970 31.955 4.558350       45.37787 
1 1 1 -4  9  37 o 117.300 31.873 46.759    20.567  64.434    31.781  34.022    26.978  128.990 40.926 99.194  37.324 29.79692       55.38941 
1 1 1 -4  9  39 f 95.226  35.096 32.366    23.614  26.358    47.805  34.305    27.158  95.422  43.260 96.948  37.218 -1.525810      57.06654 
1 1 1 -4  9  41 o 173.403 40.542 125.737   37.016  120.349   45.364  136.472   64.033  149.692 49.021 132.790 55.001 16.90190       73.67648 
1 1 1 -4  9  43 o 228.428 31.974 203.173   38.084  334.385   98.358  180.032   41.307  133.652 61.151 197.856 40.309 -64.20421      73.24078 
1 1 1 -4  10 2  f 197.451 13.486 105.125   14.191  107.407   20.092  102.854   20.047  199.018 19.063 194.666 19.470 4.352036       27.24864 
1 1 1 -4  10 4  f 768.404 19.751 1586.99   81.365  1533.13   99.621  1694.91   141.018 754.698 24.621 792.188 33.203 -37.48920      41.33539 
1 1 1 -4  10 6  o 788.039 17.413 1668.23   73.570  1651.32   104.039 1685.14   104.050 783.187 24.778 791.198 24.529 -8.011047      34.86567 
1 1 1 -4  10 8  o 561.344 15.077 846.111   45.376  859.758   64.201  832.490   64.141  565.391 21.180 556.325 21.505 9.066589       30.18361 
1 1 1 -4  10 10 o 468.125 20.284 589.403   50.908  589.403   50.908  0.0000    0.0000  468.125 20.284 ?       ?      0.000000       20.28380 
1 1 1 -4  10 12 o 774.395 19.912 1613.35   82.668  1548.45   142.914 1645.98   101.344 755.769 35.271 781.521 24.187 -25.75214      42.76746 
1 1 1 -4  10 14 o 607.468 22.243 994.252   72.440  1013.56   101.838 974.473   103.065 611.072 31.188 598.892 32.217 12.17999       44.84059 
1 1 1 -4  10 16 o 386.066 14.199 400.487   29.390  395.398   33.798  416.273   59.522  383.451 16.440 391.185 28.578 -7.733215      32.96982 
1 1 1 -4  10 18 o 595.717 22.102 957.607   70.589  957.607   70.589  0.0000    0.0000  595.717 22.102 ?       ?      0.000000       22.10158 
1 1 1 -4  10 20 o 205.445 15.773 114.281   17.241  120.099   19.915  96.883    34.442  210.358 17.826 185.093 36.004 25.26521       40.17521 
1 1 1 -4  10 22 o 65.049  24.967 7.7960    12.221  9.4093    14.015  2.6785    24.962  70.220  26.788 80.392  33.890 -10.17181      43.19925 
1 1 1 -4  10 24 o 231.587 18.498 146.377   22.776  158.685   28.198  123.280   38.629  240.293 22.137 207.186 36.087 33.10660       42.33596 
1 1 1 -4  10 26 o 209.192 24.807 122.408   27.280  156.312   39.655  91.949    37.587  233.532 32.558 174.991 40.813 58.54042       52.20831 
1 1 1 -4  10 28 o 169.200 22.852 80.663    20.200  108.344   25.639  35.363    32.799  195.642 25.017 114.472 41.487 81.17037       48.44569 
1 1 1 -4  10 30 o 148.422 24.024 63.294    18.463  67.280    31.450  61.198    22.807  146.346 39.268 143.137 30.645 3.208939       49.81012 
1 1 1 -4  10 32 o 184.564 21.866 97.309    21.216  80.296    38.179  104.910   25.519  154.002 44.031 189.550 25.780 -35.54733      51.02250 
1 1 1 -4  10 34 o 358.445 16.051 358.354   30.845  396.208   45.916  327.222   41.641  368.423 23.367 334.735 23.349 33.68878       33.03327 
1 1 1 -4  10 36 f 128.638 30.453 54.248    20.677  64.410    34.251  48.421    25.936  128.866 42.615 116.545 36.971 12.32142       56.41687 
1 1 1 -4  10 38 o 85.492  31.850 23.162    19.550  35.451    33.850  17.011    23.948  99.706  40.497 81.353  33.661 18.35373       52.66032 
1 1 1 -4  10 40 o 133.646 39.872 74.715    30.735  94.691    40.275  46.861    47.560  139.574 46.213 100.895 44.618 38.67905       64.23715 
1 1 1 -4  10 42 o 100.322 41.009 55.344    34.993  46.104    69.366  58.498    40.528  88.861  43.487 98.924  42.491 -10.06303      60.79970 
1 1 1 -4  11 1  o 308.012 15.499 255.429   25.512  275.954   43.751  244.854   31.403  319.001 25.802 301.154 19.556 17.84766       32.37549 
1 1 1 -4  11 3  o 494.669 16.682 657.365   44.243  607.138   76.135  682.974   54.364  473.302 30.161 503.966 20.121 -30.66409      36.25632 
1 1 1 -4  11 5  o 745.502 24.005 1496.67   95.946  1525.50   135.787 1467.92   135.590 750.981 33.725 736.550 34.336 14.43097       48.12889 
1 1 1 -4  11 7  o 704.474 19.103 1334.43   72.151  1336.76   125.068 1333.26   88.331  702.934 33.186 703.629 23.415 -0.6946411     40.61537 
1 1 1 -4  11 9  o 457.037 16.577 561.329   40.618  550.070   70.493  566.925   49.698  450.311 29.359 459.036 20.194 -8.725067      35.63356 
1 1 1 -4  11 11 o 681.597 23.169 1251.91   84.664  0.0000    0.0000  1251.91   84.664  ?       ?      681.597 23.169 0.000000       23.16856 
1 1 1 -4  11 13 o 776.885 20.026 1624.91   83.410  1590.88   144.533 1641.91   102.134 765.259 35.228 780.119 24.419 -14.86017      42.86396 
1 1 1 -4  11 15 o 640.043 22.864 1105.11   78.457  0.0000    0.0000  1105.11   78.457  ?       ?      640.043 22.864 0.000000       22.86392 
1 1 1 -4  11 17 o 480.099 16.496 620.305   42.459  620.305   42.459  0.0000    0.0000  480.099 16.496 ?       ?      0.000000       16.49571 
1 1 1 -4  11 19 o 516.977 14.956 719.441   41.454  693.666   47.595  800.442   84.373  507.242 17.501 541.401 29.176 -34.15979      34.02219 
1 1 1 -4  11 21 o 378.172 16.473 386.123   33.399  376.071   40.544  407.344   58.911  371.969 20.409 384.623 28.777 -12.65387      35.27935 
1 1 1 -4  11 23 o 173.044 17.898 82.067    16.365  84.953    18.843  73.206    33.016  175.532 20.403 157.803 39.200 17.72935       44.19172 
1 1 1 -4  11 25 o 305.947 17.410 255.517   28.440  248.487   34.910  269.390   49.041  300.152 21.843 308.861 29.994 -8.708771      37.10515 
1 1 1 -4  11 27 o 189.980 28.842 103.884   28.454  103.884   28.454  0.0000    0.0000  189.980 28.842 ?       ?      0.000000       28.84216 
1 1 1 -4  11 29 o 236.570 19.959 155.943   25.078  162.481   31.774  145.142   40.841  238.900 25.187 219.275 35.990 19.62579       43.92759 
1 1 1 -4  11 31 f 112.420 29.205 38.325    17.761  65.773    30.232  23.858    21.948  142.876 38.568 93.386  33.923 49.49007       51.36436 
1 1 1 -4  11 33 o 94.526  31.957 27.337    19.248  117.846   47.880  9.8904    21.021  176.396 48.919 76.135  31.523 100.2610       58.19572 
1 1 1 -4  11 35 o 65.309  29.887 -7.0021   23.512  29.340    50.075  -17.2805  26.630  104.710 46.067 63.945  30.110 40.76513       55.03438 
1 1 1 -4  11 37 o 83.852  31.702 21.105    19.518  -9.1662   33.837  36.199    23.893  74.384  34.672 101.878 35.564 -27.49397      49.66832 
1 1 1 -4  11 39 o 77.788  33.223 14.357    24.525  10.146    60.088  15.198    26.865  91.441  43.679 79.839  34.446 11.60141       55.62719 
1 1 1 -4  11 41 o 85.954  35.797 29.610    27.336  74.086    54.241  14.468    31.649  103.650 46.616 76.978  35.014 26.67242       58.30151 
1 1 1 -4  12 2  o 1657.68 33.471 7439.68   297.467 7162.92   364.283 7993.53   515.333 1622.02 41.890 1702.83 56.448 -80.80652      70.29320 
1 1 1 -4  12 4  o 1582.97 27.993 6764.69   237.570 6777.10   335.959 6752.27   335.991 1578.83 39.690 1575.89 39.768 2.938477       56.18520 
1 1 1 -4  12 6  o 510.201 17.061 699.680   46.666  727.113   57.259  645.408   80.536  519.790 20.547 487.546 30.971 32.24390       37.16725 
1 1 1 -4  12 8  o 355.103 15.902 338.861   30.275  306.332   52.485  355.082   37.063  335.362 29.491 362.805 19.122 -27.44281      35.14752 
1 1 1 -4  12 10 o 414.337 14.157 461.167   31.448  479.108   44.818  443.764   44.139  421.897 19.814 405.999 20.278 15.89877       28.35126 
1 1 1 -4  12 12 o 328.821 13.908 290.488   24.518  285.249   34.748  295.683   34.600  324.842 20.050 330.812 19.596 -5.970642      28.03569 
1 1 1 -4  12 14 o 285.860 16.155 220.512   24.657  222.341   30.439  217.022   42.052  286.554 19.937 281.670 28.227 4.883698       34.55769 
1 1 1 -4  12 16 o 297.034 14.124 237.293   22.492  219.039   31.127  257.239   32.538  284.130 20.573 308.155 19.799 -24.02426      28.55295 
1 1 1 -4  12 18 o 554.984 15.241 829.924   45.350  794.830   52.235  937.347   91.390  542.583 17.956 585.843 29.097 -43.26044      34.19148 
1 1 1 -4  12 20 o 143.841 24.492 57.955    18.211  57.955    18.211  0.0000    0.0000  143.841 24.492 ?       ?      0.000000       24.49167 
1 1 1 -4  12 22 o 744.563 18.939 1507.51   75.600  1457.98   92.396  1607.82   131.499 729.351 23.629 758.689 32.329 -29.33759      40.04340 
1 1 1 -4  12 24 o 224.004 17.845 137.531   21.253  124.883   25.309  167.782   39.141  211.964 22.620 242.702 30.772 -30.73816      38.19146 
1 1 1 -4  12 26 o 153.227 20.639 65.729    16.524  79.961    18.995  21.455    33.503  168.984 21.449 102.857 40.791 66.12691       46.08692 
1 1 1 -4  12 28 o 192.636 20.704 103.974   21.048  103.034   24.839  106.367   39.635  189.926 25.002 184.123 41.183 5.802612       48.17775 
1 1 1 -4  12 30 o 57.386  23.941 3.0366    12.257  -4.4596   13.660  34.016    27.770  52.589  23.542 107.460 38.267 -54.87077      44.92861 
1 1 1 -4  12 32 o 317.939 19.702 287.011   33.417  308.172   42.424  252.418   54.243  324.566 24.562 279.369 37.135 45.19675       44.52351 
1 1 1 -4  12 34 o 190.338 57.334 162.746   63.327  162.746   63.327  0.0000    0.0000  190.338 57.334 ?       ?      0.000000       57.33415 
1 1 1 -4  12 36 o 122.610 37.790 54.199    27.302  81.028    35.774  16.777    42.251  144.822 42.973 93.817  41.742 51.00538       59.90935 
1 1 1 -4  12 38 o 62.707  29.514 -12.7358  25.536  0.0000    0.0000  -12.7358  25.536  ?       ?      62.707  29.514 0.000000       29.51386 
1 1 1 -4  12 40 o 207.780 38.432 173.888   41.236  297.854   67.319  99.442    52.168  234.023 54.646 121.759 49.957 112.2641       74.03910 
1 1 1 -4  13 1  o 544.387 21.231 798.046   61.966  810.430   87.622  785.655   87.645  546.559 30.017 538.009 30.511 8.549805       42.80143 
1 1 1 -4  13 3  o 508.144 14.690 693.686   40.020  665.284   56.393  722.501   56.802  497.050 21.162 518.061 20.451 -21.01059      29.42889 
1 1 1 -4  13 5  o 736.065 19.520 1458.12   77.030  1470.83   94.277  1432.58   133.607 738.556 23.810 726.600 34.298 11.95599       41.75181 
1 1 1 -4  13 7  o 491.777 14.712 649.843   38.789  671.296   55.067  628.717   54.647  499.264 20.573 483.113 21.098 16.15057       29.46812 
1 1 1 -4  13 9  o 439.999 14.101 520.209   33.263  580.487   47.494  462.175   46.602  464.334 19.078 413.593 21.086 50.74048       28.43607 
1 1 1 -4  13 11 o 206.073 14.640 114.740   16.069  132.771   23.308  98.407    22.184  221.079 19.878 189.689 22.236 31.38931       29.82524 
1 1 1 -4  13 13 o 117.264 18.360 37.941    11.164  42.394    15.953  33.669    15.629  122.947 25.053 109.286 26.863 13.66048       36.73289 
1 1 1 -4  13 15 o 517.112 15.069 720.209   41.776  728.120   59.165  712.342   58.996  518.734 21.274 513.044 21.449 5.690430       30.20972 
1 1 1 -4  13 17 o 248.299 20.497 168.225   27.042  170.751   37.769  165.567   38.737  248.051 28.945 243.819 30.286 4.232101       41.89330 
1 1 1 -4  13 19 f 125.505 24.098 44.435    15.626  23.139    20.395  74.699    24.313  95.154  32.878 162.363 28.994 -67.20924      43.83667 
1 1 1 -4  13 21 o 337.754 14.094 308.397   25.522  316.640   29.706  285.156   49.878  341.774 16.212 319.076 29.491 22.69864       33.65289 
1 1 1 -4  13 23 o 119.058 24.911 40.600    15.390  40.600    15.390  0.0000    0.0000  119.058 24.911 ?       ?      0.000000       24.91145 
1 1 1 -4  13 25 o 304.875 14.687 252.638   24.006  238.984   27.502  296.332   49.196  295.203 17.455 322.916 28.716 -27.71335      33.60490 
1 1 1 -4  13 27 o 87.842  26.831 22.138    13.798  14.717    15.722  47.026    28.790  78.008  28.654 124.095 38.899 -46.08722      48.31342 
1 1 1 -4  13 29 o 86.387  32.118 19.096    19.861  20.265    26.194  17.515    30.462  92.725  36.287 93.857  38.303 -1.131874      52.76178 
1 1 1 -4  13 31 o 233.607 22.751 157.890   28.133  178.921   36.358  126.512   44.410  244.091 28.309 190.363 44.339 53.72870       52.60516 
1 1 1 -4  13 33 o 112.482 29.408 39.962    17.934  39.962    17.934  0.0000    0.0000  112.482 29.408 ?       ?      0.000000       29.40765 
1 1 1 -4  13 35 o 242.241 25.059 177.103   32.074  187.911   41.568  161.201   50.423  240.111 33.177 204.335 47.005 35.77525       57.53432 
1 1 1 -4  13 37 o 79.532  31.459 17.859    19.878  31.069    22.791  -24.1481  40.640  94.811  34.549 73.422  35.296 21.38875       49.39093 
1 1 1 -4  13 39 o 113.312 48.948 81.334    54.383  81.334    54.383  0.0000    0.0000  113.312 48.948 ?       ?      0.000000       48.94830 
1 1 1 -4  14 2  o 250.970 15.528 170.020   20.791  186.300   25.641  138.769   35.526  262.414 18.341 224.213 30.332 38.20061       35.44621 
1 1 1 -4  14 4  o 585.150 17.948 921.836   56.305  957.737   97.423  903.830   68.994  593.202 30.738 578.740 22.236 14.46246       37.93803 
1 1 1 -4  14 6  o 473.487 16.874 603.418   42.836  605.065   52.215  600.027   74.910  473.669 20.561 469.207 29.935 4.462006       36.31586 
1 1 1 -4  14 8  o 205.732 22.811 115.767   24.737  70.941    35.173  159.641   34.797  157.679 41.164 241.100 27.407 -83.42076      49.45357 
1 1 1 -4  14 10 f 229.008 21.229 142.928   25.768  142.928   25.768  0.0000    0.0000  229.008 21.229 ?       ?      0.000000       21.22889 
1 1 1 -4  14 12 o 136.975 20.240 51.804    14.416  64.115    18.256  31.410    23.497  152.112 23.112 108.387 35.270 43.72487       42.16816 
1 1 1 -4  14 14 f 620.468 18.387 1041.11   61.166  1066.79   74.901  989.696   105.976 626.789 22.289 598.246 33.171 28.54266       39.96404 
1 1 1 -4  14 16 o 187.323 17.605 95.796    17.473  98.302    30.007  94.510    21.493  186.386 31.126 185.094 22.095 1.291641       38.17115 
1 1 1 -4  14 18 o 442.151 16.905 529.718   40.073  546.768   49.275  496.414   68.867  448.082 20.511 421.911 30.655 26.17032       36.88402 
1 1 1 -4  14 20 o 359.370 14.532 349.519   27.999  342.330   32.561  369.918   54.849  355.005 17.108 363.921 28.335 -8.916290      33.09904 
1 1 1 -4  14 22 o 129.157 19.475 46.587    13.066  42.487    15.079  58.944    26.177  122.067 23.897 141.069 34.822 -19.00172      42.23304 
1 1 1 -4  14 24 o 184.761 16.745 93.910    16.407  94.670    18.260  90.727    37.376  184.945 18.672 171.647 41.150 13.29877       45.18750 
1 1 1 -4  14 26 o 175.242 28.147 89.458    25.550  67.469    35.815  112.243   36.458  145.496 42.954 191.800 36.793 -46.30357      56.55802 
1 1 1 -4  14 28 o 99.679  33.099 29.471    20.655  20.481    26.899  42.388    32.244  93.414  36.707 117.022 41.281 -23.60802      55.24089 
1 1 1 -4  14 30 o 122.753 48.964 48.557    48.531  48.557    48.531  0.0000    0.0000  122.753 48.964 ?       ?      0.000000       48.96425 
1 1 1 -4  14 32 o 166.588 21.742 80.630    18.956  89.571    22.179  56.399    36.511  174.008 24.448 126.285 43.970 47.72365       50.30983 
1 1 1 -4  14 34 o 91.139  31.883 25.754    19.207  19.415    22.257  44.246    38.014  85.262  33.426 112.315 43.780 -27.05272      55.08141 
1 1 1 -4  14 36 o 87.149  30.430 24.514    17.494  11.177    19.354  84.059    40.894  72.828  30.208 138.979 46.583 -66.15082      55.51992 
1 1 1 -4  15 1  o 464.194 16.682 580.770   41.517  604.686   50.949  533.502   71.627  473.078 20.088 441.122 30.473 31.95593       36.49818 
1 1 1 -4  15 3  o 138.590 16.538 52.489    12.045  42.735    17.030  62.255    17.039  123.100 26.581 150.172 21.801 -27.07148      34.37789 
1 1 1 -4  15 5  o 327.066 20.322 290.280   35.458  293.013   48.624  287.175   51.819  326.840 28.020 322.931 30.284 3.909027       41.25808 
1 1 1 -4  15 7  f 410.443 16.447 454.290   36.191  442.181   44.467  478.051   62.290  403.742 20.611 417.815 27.969 -14.07236      34.74323 
1 1 1 -4  15 9  o 160.238 16.453 69.996    13.934  96.654    20.094  45.304    19.339  187.888 20.268 126.255 29.159 61.63359       35.51112 
1 1 1 -4  15 11 o 293.666 14.125 232.442   22.240  240.672   31.829  224.590   31.087  297.342 20.084 287.137 20.325 10.20514       28.57423 
1 1 1 -4  15 13 o 280.626 16.138 213.493   24.178  165.930   41.926  237.192   29.594  242.720 33.080 295.272 18.792 -52.55264      38.04511 
1 1 1 -4  15 15 o 192.344 15.150 100.588   15.496  91.766    22.226  108.933   21.617  181.868 23.333 199.085 20.548 -17.21677      31.09119 
1 1 1 -4  15 17 o 303.856 14.344 249.598   23.367  267.359   33.813  233.362   32.329  312.547 20.289 291.759 20.804 20.78793       29.05963 
1 1 1 -4  15 19 o 341.020 20.701 319.218   37.669  319.218   37.669  0.0000    0.0000  341.020 20.701 ?       ?      0.000000       20.70095 
1 1 1 -4  15 21 o 344.372 14.524 321.674   26.816  311.381   31.310  350.011   51.948  337.549 17.360 352.879 27.680 -15.32986      32.67373 
1 1 1 -4  15 23 o 167.676 27.651 81.055    23.991  96.557    31.332  59.086    37.298  180.603 33.595 138.620 44.374 41.98328       55.65714 
1 1 1 -4  15 25 o 343.392 23.549 332.788   43.092  324.066   62.150  340.863   59.801  328.340 35.890 339.304 33.303 -10.96329      48.96106 
1 1 1 -4  15 27 o 144.983 30.190 63.629    22.704  34.789    28.274  115.984   38.095  108.371 38.611 191.102 38.513 -82.73040      54.53445 
1 1 1 -4  15 29 o 229.293 22.344 150.656   27.119  150.656   27.119  0.0000    0.0000  229.293 22.344 ?       ?      0.000000       22.34430 
1 1 1 -4  15 31 o 74.918  32.591 3.0870    24.449  -4.2664   31.878  13.592    38.101  78.772  35.553 94.720  40.944 -15.94770      54.22560 
1 1 1 -4  15 33 o 79.863  32.096 14.664    21.020  2.3066    25.520  40.729    37.065  74.321  32.784 110.180 43.151 -35.85960      54.19252 
1 1 1 -4  15 35 o 189.949 25.448 111.539   25.264  103.314   29.187  136.119   50.453  176.213 32.076 175.234 50.769 0.9788818      60.05288 
1 1 1 -4  16 2  f 478.823 14.691 618.106   37.712  606.256   53.398  629.899   53.269  472.795 21.066 482.045 20.612 -9.249969      29.47222 
1 1 1 -4  16 4  o 769.867 24.799 1615.06   102.356 1549.85   144.785 1680.21   144.723 747.374 36.134 779.242 34.641 -31.86755      50.05668 
1 1 1 -4  16 6  o 572.822 17.828 887.403   54.752  825.707   94.359  918.721   67.227  546.186 32.368 581.660 21.558 -35.47400      38.88973 
1 1 1 -4  16 8  o 439.921 16.663 523.067   39.300  424.207   67.339  574.133   48.397  390.522 32.457 460.170 19.617 -69.64774      37.92444 
1 1 1 -4  16 10 o 454.331 20.866 561.070   50.825  0.0000    0.0000  561.070   50.825  ?       ?      454.331 20.866 0.000000       20.86580 
1 1 1 -4  16 12 o 372.475 16.526 375.494   33.002  403.610   58.779  362.550   39.881  381.419 28.960 364.517 20.490 16.90247       35.47599 
1 1 1 -4  16 14 o 206.605 17.147 116.512   18.822  145.176   36.539  106.160   21.959  226.676 30.869 196.195 21.214 30.48053       37.45576 
1 1 1 -4  16 16 o 249.990 21.749 172.219   28.859  218.441   45.825  141.837   37.152  278.013 31.288 223.113 31.973 54.90041       44.73477 
1 1 1 -4  16 18 o 264.595 21.834 193.410   30.697  247.128   48.703  158.004   39.540  295.003 31.270 234.837 32.257 60.16524       44.92577 
1 1 1 -4  16 20 o 296.545 18.094 241.222   28.629  296.769   53.930  219.426   33.783  321.877 31.661 280.980 22.617 40.89703       38.90987 
1 1 1 -4  16 22 o 72.803  28.215 10.543    15.719  10.543    15.719  0.0000    0.0000  72.803  28.215 ?       ?      0.000000       28.21536 
1 1 1 -4  16 24 o 75.340  26.973 14.412    13.815  14.646    15.159  13.264    33.555  77.049  28.162 94.637  39.557 -17.58829      48.55785 
1 1 1 -4  16 26 o 334.142 25.499 320.721   45.334  310.330   67.769  329.137   60.990  312.482 41.476 329.034 35.116 -16.55167      54.34566 
1 1 1 -4  16 28 o 100.219 29.745 30.380    17.139  30.213    19.051  31.086    39.245  100.068 31.680 109.464 43.904 -9.395157      54.14024 
1 1 1 -4  16 30 o 157.406 29.270 75.665    23.792  80.756    28.264  63.284    44.075  159.406 34.102 132.973 48.108 26.43350       58.96889 
1 1 1 -4  16 32 o 188.721 26.299 107.753   25.886  107.182   30.658  109.172   48.314  183.089 32.419 164.692 50.185 18.39653       59.74528 
1 1 1 -4  16 34 o 110.434 37.713 44.258    26.808  44.258    26.808  0.0000    0.0000  110.434 37.713 ?       ?      0.000000       37.71251 
1 1 1 -4  17 1  o 427.629 29.724 506.339   67.723  506.339   67.723  0.0000    0.0000  427.629 29.724 ?       ?      0.000000       29.72365 
1 1 1 -4  17 3  o 510.061 14.828 702.357   40.548  679.024   57.424  725.559   57.262  499.601 21.439 516.702 20.671 -17.10138      29.78082 
1 1 1 -4  17 5  o 288.817 16.455 226.316   25.374  237.552   44.991  221.075   30.728  292.312 29.095 284.563 20.274 7.748413       35.46153 
1 1 1 -4  17 7  o 284.318 16.857 219.550   25.580  234.079   44.310  212.287   31.328  290.075 28.876 278.521 21.138 11.55441       35.78557 
1 1 1 -4  17 9  o 158.602 17.156 68.918    14.355  64.891    20.262  72.976    20.341  151.804 25.820 161.619 24.222 -9.815582      35.40314 
1 1 1 -4  17 11 o 231.763 14.936 145.824   18.460  148.904   26.383  142.871   25.838  232.695 21.387 227.891 21.398 4.803726       30.25355 
1 1 1 -4  17 13 o 111.156 20.683 34.757    11.872  45.036    17.693  26.339    16.012  125.388 27.109 96.645  28.767 28.74387       39.52752 
1 1 1 -4  17 15 o 51.809  21.478 2.0801    9.7760  -4.2487   13.513  9.0292    14.160  53.355  23.679 69.328  26.804 -15.97319      35.76574 
1 1 1 -4  17 17 o 157.271 18.208 68.386    15.068  87.987    22.028  51.148    20.657  176.935 23.828 132.453 29.810 44.48177       38.16252 
1 1 1 -4  17 19 o 239.361 32.601 166.833   40.749  166.833   40.749  0.0000    0.0000  239.361 32.601 ?       ?      0.000000       32.60139 
1 1 1 -4  17 21 o 111.221 29.169 36.634    17.608  34.418    20.300  43.365    35.383  107.868 32.454 121.894 43.218 -14.02620      54.04697 
1 1 1 -4  17 23 o 246.143 17.029 167.259   22.334  189.242   25.184  86.307    48.328  261.415 18.080 159.744 50.445 101.6715       53.58737 
1 1 1 -4  17 25 o 155.901 25.371 70.593    20.477  70.593    20.477  0.0000    0.0000  155.901 25.371 ?       ?      0.000000       25.37092 
1 1 1 -4  17 27 o 93.245  32.655 24.660    20.151  27.081    24.475  19.564    35.508  98.349  35.808 99.192  41.011 -0.8427124     54.44358 
1 1 1 -4  17 29 f 160.901 32.316 80.836    26.909  66.057    33.447  107.954   45.307  139.001 41.622 172.898 47.443 -33.89639      63.11298 
1 1 1 -4  17 31 o 211.596 22.389 131.003   25.013  108.313   28.638  203.991   51.364  186.632 29.610 243.566 40.776 -56.93445      50.39245 
1 1 1 -4  18 2  o 96.327  24.217 26.393    12.493  23.156    14.271  37.009    25.842  91.046  27.171 115.284 36.940 -24.23773      45.85646 
1 1 1 -4  18 4  o 330.234 20.122 297.868   35.455  361.815   50.621  236.289   49.675  361.803 26.276 289.534 32.566 72.26971       41.84486 
1 1 1 -4  18 6  o 194.232 17.915 103.236   18.446  106.283   22.725  97.351    31.581  196.113 21.992 184.146 33.211 11.96715       39.83212 
1 1 1 -4  18 8  f 255.513 15.010 177.233   20.472  206.804   30.035  151.576   27.977  274.638 20.547 234.329 22.547 40.30937       30.50542 
1 1 1 -4  18 10 f 145.601 19.350 58.734    14.731  55.059    22.483  61.498    19.499  137.820 31.159 147.381 25.607 -9.560349      40.33148 
1 1 1 -4  18 12 o 153.063 21.659 65.430    17.278  54.770    23.324  78.393    25.721  136.887 32.302 165.068 30.176 -28.18111      44.20377 
1 1 1 -4  18 14 o 375.212 14.508 381.838   29.184  467.741   42.315  303.906   40.304  413.523 19.087 331.188 22.838 82.33585       29.76396 
1 1 1 -4  18 16 o 332.463 14.857 300.427   26.482  363.252   39.041  246.884   36.042  362.980 20.141 297.871 22.740 65.10910       30.37740 
1 1 1 -4  18 18 f 116.940 25.351 39.647    15.436  28.744    28.016  44.399    18.496  104.858 38.291 122.949 28.599 -18.09090      47.79209 
1 1 1 -4  18 20 o 120.085 34.544 43.377    23.433  73.881    30.898  2.0750    35.953  155.134 37.552 90.749  39.499 64.38507       54.50118 
1 1 1 -4  18 22 o 197.026 50.810 130.413   54.020  130.413   54.020  0.0000    0.0000  197.026 50.810 ?       ?      0.000000       50.81007 
1 1 1 -4  18 24 o 82.824  31.327 16.165    19.063  -4.3922   23.373  57.010    32.946  69.919  31.081 133.770 41.560 -63.85176      51.89635 
1 1 1 -4  18 26 o 219.426 21.820 136.892   25.329  136.892   25.329  0.0000    0.0000  219.426 21.820 ?       ?      0.000000       21.81997 
1 1 1 -4  18 28 o 139.048 28.733 59.076    20.711  62.529    23.359  46.380    44.790  141.441 31.600 120.257 47.332 21.18401       56.91082 
1 1 1 -4  18 30 o 151.045 34.256 75.013    27.102  75.013    27.102  0.0000    0.0000  151.045 34.256 ?       ?      0.000000       34.25602 
1 1 1 -4  19 1  o 250.956 17.741 172.116   23.716  191.769   41.830  162.807   28.790  260.320 30.552 242.667 22.381 17.65273       37.87294 
1 1 1 -4  19 3  o 328.768 14.458 292.584   25.485  275.060   35.355  311.536   36.768  316.438 20.959 337.040 20.444 -20.60184      29.27851 
1 1 1 -4  19 5  o 93.542  22.654 24.966    11.241  28.531    17.889  22.640    14.449  100.410 30.524 89.941  27.453 10.46909       41.05355 
1 1 1 -4  19 7  o 188.296 16.061 96.937    16.058  117.460   24.829  82.180    21.055  205.478 22.930 171.273 23.552 34.20486       32.87056 
1 1 1 -4  19 9  o 127.097 22.832 45.735    14.986  51.900    20.783  39.059    21.629  133.637 29.770 115.793 33.152 17.84406       44.55683 
1 1 1 -4  19 11 f 183.143 17.231 92.176    16.720  81.699    24.727  101.001   22.694  168.825 28.322 190.142 22.712 -21.31686      36.30397 
1 1 1 -4  19 13 o 257.017 15.975 180.443   21.904  206.355   32.046  157.722   30.008  272.669 22.112 237.463 23.895 35.20584       32.55635 
1 1 1 -4  19 15 o 182.209 23.844 93.574    22.734  0.0000    0.0000  93.574    22.734  ?       ?      182.209 23.844 0.000000       23.84420 
1 1 1 -4  19 17 o 226.527 16.775 140.867   20.228  162.472   32.322  126.956   25.935  239.842 25.529 212.742 23.110 27.09972       34.43536 
1 1 1 -4  19 19 o 113.675 25.937 37.650    15.458  34.044    26.273  39.560    19.117  109.427 37.334 115.554 30.435 -6.127777      48.16801 
1 1 1 -4  19 21 f 81.508  30.256 15.909    17.611  26.154    23.924  3.7939    26.017  98.729  35.480 79.984  34.192 18.74455       49.27386 
1 1 1 -4  19 23 f 93.031  31.848 24.342    19.118  41.660    22.977  -14.6263  34.467  116.693 34.392 78.798  36.106 37.89522       49.86465 
1 1 1 -4  19 25 o 125.702 37.763 50.560    27.500  50.560    27.500  0.0000    0.0000  125.702 37.763 ?       ?      0.000000       37.76336 
1 1 1 -4  19 27 o 163.283 30.558 82.252    25.767  94.304    30.851  54.456    46.855  172.027 34.649 125.858 48.731 46.16859       59.79337 
1 1 1 -4  20 2  o 300.692 17.898 247.216   28.723  253.568   48.513  243.787   35.641  299.017 30.697 296.894 22.560 2.123169       38.09517 
1 1 1 -4  20 4  o 327.849 17.484 293.496   30.620  346.025   54.873  269.742   36.899  350.379 29.485 312.524 22.166 37.85483       36.88791 
1 1 1 -4  20 6  o 136.798 26.680 53.656    18.865  45.617    27.208  61.099    26.180  124.736 37.583 143.868 34.406 -19.13240      50.95317 
1 1 1 -4  20 8  o 171.997 17.790 81.465    16.168  106.662   25.238  63.927    21.056  194.902 24.708 149.377 27.298 45.52495       36.81881 
1 1 1 -4  20 10 o 101.613 26.096 29.784    14.291  27.988    20.343  31.534    20.080  100.356 32.826 105.049 32.415 -4.692924      46.13289 
1 1 1 -4  20 12 o 175.012 22.221 85.663    20.380  143.350   34.372  54.388    25.308  224.158 29.302 135.300 34.717 88.85812       45.43002 
1 1 1 -4  20 14 o 391.414 15.750 416.935   33.052  425.481   47.348  408.813   46.161  391.698 22.643 383.995 22.521 7.703613       31.93557 
1 1 1 -4  20 16 o 133.650 25.119 51.323    17.338  52.168    25.402  50.586    23.722  131.795 35.260 130.136 33.725 1.659149       48.79171 
1 1 1 -4  20 18 o 231.665 26.396 152.888   32.200  166.792   57.983  146.688   38.719  227.087 49.058 223.067 33.403 4.019318       59.35071 
1 1 1 -4  20 20 o 117.369 26.510 40.490    16.287  76.600    28.540  23.050    19.834  158.753 34.516 92.235  32.392 66.51751       47.33470 
1 1 1 -4  20 22 o 120.450 27.818 43.294    17.601  23.268    28.974  55.006    22.158  98.231  38.241 134.581 31.301 -36.35000      49.41777 
1 1 1 -4  20 24 o 94.967  34.497 25.263    22.697  9.1783    27.552  59.232    40.039  84.041  35.526 132.356 46.047 -48.31541      58.15920 
1 1 1 -4  21 1  o 122.349 28.788 43.411    18.568  51.882    22.851  26.946    31.858  133.059 32.347 107.355 40.524 25.70348       51.85045 
1 1 1 -4  21 3  o 165.373 19.761 75.781    17.173  52.554    24.477  98.299    24.101  133.572 34.071 187.135 24.619 -53.56282      42.03522 
1 1 1 -4  21 5  o 258.967 15.893 182.810   21.960  210.623   30.992  154.765   31.120  276.361 21.076 235.244 25.061 41.11679       32.74485 
1 1 1 -4  21 7  o 155.608 19.949 67.304    16.259  61.318    23.482  72.817    22.535  145.012 31.134 159.662 27.307 -14.64951      41.41306 
1 1 1 -4  21 9  o 176.068 25.437 87.671    23.315  93.049    34.788  83.284    31.416  176.480 37.898 167.497 36.052 8.983704       52.30694 
1 1 1 -4  21 11 o 138.536 26.742 55.237    19.143  85.821    40.213  46.276    21.767  166.435 44.289 125.253 32.228 41.18236       54.77373 
1 1 1 -4  21 13 o 145.623 27.546 61.300    20.718  40.216    42.153  68.015    23.790  123.808 46.642 152.611 30.146 -28.80289      55.53558 
1 1 1 -4  21 15 o 91.107  32.550 21.468    20.108  56.801    38.031  7.7591    23.689  136.220 44.898 80.717  33.445 55.50246       55.98594 
1 1 1 -4  21 17 o 151.300 28.754 67.126    22.472  132.864   47.582  48.255    25.494  204.256 44.693 125.908 35.974 78.34792       57.37221 
1 1 1 -4  21 19 o 197.388 33.814 117.391   34.497  238.390   56.813  46.726    43.417  278.017 39.204 125.983 47.360 152.0340       61.48106 
1 1 1 -4  22 2  o 190.670 22.550 101.538   22.605  77.658    27.766  148.474   38.927  162.715 32.958 226.489 33.029 -63.77339      46.66017 
1 1 1 -4  22 4  o 168.416 25.561 80.452    22.355  92.975    27.046  53.447    39.716  179.980 29.015 135.070 45.904 44.90990       54.30541 
1 1 1 -4  22 6  o 126.854 28.110 46.755    18.615  20.939    29.683  63.490    23.898  99.523  38.716 147.242 31.241 -47.71882      49.74866 
1 1 1 -4  22 8  o 107.871 27.298 33.840    15.800  -10.6257  22.863  74.491    21.860  66.019  29.925 161.539 26.134 -95.51976      39.72980 
1 1 1 -4  22 10 o 89.667  27.897 22.711    14.839  24.180    22.946  21.655    19.454  96.750  34.750 91.057  32.071 5.693298       47.28759 
1 1 1 -4  22 12 o 111.645 28.970 36.671    17.490  53.576    23.733  16.579    25.874  133.774 33.238 91.178  35.946 42.59595       48.95843 
1 1 1 -4  22 14 o 114.533 31.106 39.081    19.595  59.636    44.048  34.009    21.879  138.566 48.293 107.621 33.937 30.94463       59.02465 
1 1 1 -3  0  1  o 292.266 18.408 231.952   28.582  231.952   28.582  231.952   28.582  292.266 18.408 292.266 18.408 -0.000000      0.000000 
1 1 1 -3  0  3  o 475.969 20.134 611.390   51.168  611.390   51.168  611.390   51.168  475.969 20.134 475.969 20.134 -0.000000      0.000000 
1 1 1 -3  0  5  o 467.637 20.054 590.304   50.069  590.304   50.069  590.304   50.069  467.637 20.054 467.637 20.054 -0.000000      0.000000 
1 1 1 -3  0  7  o 826.865 25.215 1842.83   111.544 1842.83   111.544 1842.83   111.544 826.865 25.215 826.865 25.215 -0.000000      0.000000 
1 1 1 -3  0  9  o 749.264 23.977 1514.28   96.094  1514.28   96.094  1514.28   96.094  749.264 23.977 749.264 23.977 0.000000       0.000000 
1 1 1 -3  0  11 o 137.435 19.556 53.754    13.566  53.754    13.566  53.754    13.566  137.435 19.556 137.435 19.556 0.000000       0.000000 
1 1 1 -3  0  13 o 367.701 19.198 366.733   37.610  366.733   37.610  366.733   37.610  367.701 19.198 367.701 19.198 -0.000000      0.000000 
1 1 1 -3  0  15 o 167.186 30.732 82.714    24.800  82.714    24.800  82.714    24.800  167.186 30.732 167.186 30.732 -0.000000      0.000000 
1 1 1 -3  0  17 o 927.137 26.906 2323.57   133.485 2323.57   133.485 2323.57   133.485 927.137 26.906 927.137 26.906 -0.000000      0.000000 
1 1 1 -3  0  19 o 280.250 19.496 213.989   28.967  213.989   28.967  213.989   28.967  280.250 19.496 280.250 19.496 -0.000000      0.000000 
1 1 1 -3  0  21 o 155.798 35.305 74.501    25.715  74.501    25.715  74.501    25.715  155.798 35.305 155.798 35.305 -0.000000      0.000000 
1 1 1 -3  0  23 o 467.514 29.442 595.109   73.126  595.109   73.126  595.109   73.126  467.514 29.442 467.514 29.442 -0.000000      0.000000 
1 1 1 -3  0  25 o 396.825 29.860 431.310   62.701  431.310   62.701  431.310   62.701  396.825 29.860 396.825 29.860 0.000000       0.000000 
1 1 1 -3  0  27 o 264.619 21.882 192.111   30.555  192.111   30.555  192.111   30.555  264.619 21.882 264.619 21.882 0.000000       0.000000 
1 1 1 -3  0  29 o 66.422  36.717 16.499    19.103  16.499    19.103  16.499    19.103  66.422  36.717 66.422  36.717 0.000000       0.000000 
1 1 1 -3  0  31 o 593.214 22.607 953.835   71.664  953.835   71.664  953.835   71.664  593.214 22.607 593.214 22.607 0.000000       0.000000 
1 1 1 -3  0  33 f 211.363 38.835 134.179   39.624  134.179   39.624  134.179   39.624  211.363 38.835 211.363 38.835 -0.000000      0.000000 
1 1 1 -3  0  35 o 108.922 56.159 50.873    42.007  50.873    42.007  50.873    42.007  108.922 56.159 108.922 56.159 -0.000000      0.000000 
1 1 1 -3  0  37 o 247.251 28.701 174.663   36.709  174.663   36.709  174.663   36.709  247.251 28.701 247.251 28.701 -0.000000      0.000000 
1 1 1 -3  0  39 o 104.292 56.244 49.200    43.692  49.200    43.692  49.200    43.692  104.292 56.244 104.292 56.244 -0.000000      0.000000 
1 1 1 -3  0  41 o 329.833 28.517 311.254   49.560  311.254   49.560  311.254   49.560  329.833 28.517 329.833 28.517 -0.000000      0.000000 
1 1 1 -3  0  43 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -3  0  45 f 93.805  53.678 42.287    42.640  42.287    42.640  42.287    42.640  93.805  53.678 93.805  53.678 0.000000       0.000000 
1 1 1 -3  0  47 o 85.645  55.834 26.503    62.367  26.503    62.367  26.503    62.367  85.645  55.834 85.645  55.834 -0.000000      0.000000 
1 1 1 -3  1  2  o 295.732 14.626 234.791   23.190  247.988   28.412  208.448   40.141  303.328 17.546 276.802 27.409 26.52600       32.54384 
1 1 1 -3  1  4  o 568.892 21.134 870.370   64.459  897.532   91.181  843.236   91.136  576.058 29.624 558.152 30.572 17.90613       42.57008 
1 1 1 -3  1  6  o 662.329 15.911 1178.37   56.498  1137.70   79.894  1219.06   79.907  650.080 22.923 673.019 22.146 -22.93933      31.87319 
1 1 1 -3  1  8  f 477.898 14.039 613.483   35.971  591.325   50.846  635.684   50.896  468.672 20.236 486.003 19.533 -17.33148      28.12532 
1 1 1 -3  1  10 o 703.857 23.194 1338.10   87.524  1405.70   123.797 1270.55   123.758 718.939 32.118 682.978 33.798 35.96082       46.62486 
1 1 1 -3  1  12 o 89.730  14.000 22.178    6.5152  23.255    9.2620  21.123    9.1664  91.084  19.551 86.712  20.108 4.371948       28.04615 
1 1 1 -3  1  14 o 464.019 16.201 580.832   40.304  573.326   69.755  584.594   49.381  457.140 28.605 464.795 19.817 -7.655640      34.79895 
1 1 1 -3  1  16 o 216.964 15.196 127.436   17.565  134.095   21.587  114.390   30.216  222.112 18.290 202.893 28.569 19.21915       33.92205 
1 1 1 -3  1  18 o 739.546 16.734 1472.32   66.351  1430.64   93.796  1514.07   93.872  727.374 24.052 748.456 23.394 -21.08179      33.55264 
1 1 1 -3  1  20 o 296.215 15.812 236.523   25.020  228.045   30.823  252.900   42.842  290.361 19.921 304.857 26.475 -14.49609      33.13243 
1 1 1 -3  1  22 o 341.492 13.921 313.280   25.488  289.613   36.232  336.466   35.862  327.264 20.758 353.071 19.015 -25.80728      28.15066 
1 1 1 -3  1  24 o 666.260 32.794 1208.08   117.143 1208.08   117.143 0.0000    0.0000  666.260 32.794 ?       ?      0.000000       32.79450 
1 1 1 -3  1  26 o 114.470 25.870 36.942    15.503  46.225    18.467  14.781    28.532  128.021 27.709 95.717  37.744 32.30329       46.82320 
1 1 1 -3  1  28 o 284.972 17.857 220.168   27.145  227.428   49.686  217.080   32.409  285.876 33.025 282.228 21.582 3.648071       39.45212 
1 1 1 -3  1  30 o 95.254  33.778 22.458    21.615  43.319    31.478  3.8459    29.732  124.819 40.833 87.236  36.893 37.58350       55.03081 
1 1 1 -3  1  32 o 88.892  29.412 21.619    16.315  46.943    23.254  -2.9313   22.896  125.708 33.780 71.330  31.271 54.37769       46.03245 
1 1 1 -3  1  34 o 288.106 19.945 231.871   30.618  170.983   53.922  260.843   37.196  228.736 45.571 303.656 23.019 -74.92041      51.05472 
1 1 1 -3  1  36 o 157.242 25.598 73.397    20.837  71.287    28.805  75.713    30.181  147.899 36.540 151.974 37.315 -4.075226      52.22617 
1 1 1 -3  1  38 o 118.502 39.089 50.084    28.825  36.319    43.707  60.680    38.346  107.062 44.974 125.344 44.932 -18.28191      63.57307 
1 1 1 -3  1  40 o 144.043 36.630 78.346    28.352  88.595    50.922  73.740    34.133  126.757 50.283 130.541 42.511 -3.783752      65.84521 
1 1 1 -3  1  42 o 73.363  33.481 8.2051    29.246  32.102    49.846  -4.3398   36.115  89.739  41.913 71.844  34.192 17.89472       54.09069 
1 1 1 -3  1  44 o 76.249  35.662 16.549    36.288  30.216    44.356  -11.1099  63.101  82.634  38.894 75.668  37.799 6.965691       54.23588 
1 1 1 -3  1  46 o 145.008 44.495 136.153   37.897  88.697    54.998  179.054   52.292  86.353  41.393 131.184 51.289 -44.83142      65.90817 
1 1 1 -3  2  1  o 440.580 13.953 521.088   32.959  523.730   46.606  518.446   46.615  441.383 19.695 439.144 19.799 2.239014       27.92690 
1 1 1 -3  2  3  o 1099.25 24.595 3254.02   144.947 3028.62   177.527 3704.77   251.046 1059.00 31.268 1168.50 40.073 -109.5016      50.82837 
1 1 1 -3  2  5  o 483.999 14.200 629.003   36.847  609.931   52.095  648.095   52.125  476.184 20.406 490.905 19.805 -14.72034      28.43645 
1 1 1 -3  2  7  o 261.883 12.678 184.146   17.800  182.531   25.188  185.757   25.158  259.877 18.193 262.196 18.006 -2.318756      25.59684 
1 1 1 -3  2  9  o 370.781 19.031 371.256   37.703  415.121   53.326  327.410   53.315  391.017 25.578 346.394 28.974 44.62350       38.64917 
1 1 1 -3  2  11 o 410.968 13.674 454.279   30.129  447.180   42.583  461.395   42.636  407.035 19.513 413.494 19.232 -6.459412      27.39806 
1 1 1 -3  2  13 o 137.571 13.324 51.412    9.7042  46.203    13.947  56.301    13.511  129.047 20.871 143.293 17.983 -14.24557      27.54979 
1 1 1 -3  2  15 o 175.315 15.374 83.466    14.304  90.251    17.666  70.553    24.373  181.874 18.370 158.155 29.838 23.71887       35.03954 
1 1 1 -3  2  17 o 397.057 13.757 423.969   29.285  428.604   41.358  419.309   41.473  398.600 19.353 394.219 19.622 4.380646       27.56051 
1 1 1 -3  2  19 o 182.108 20.546 90.452    19.709  79.000    28.049  101.620   27.700  167.913 32.331 191.926 27.724 -24.01326      42.58980 
1 1 1 -3  2  21 o 394.229 16.180 417.767   34.198  387.219   58.845  433.345   42.023  377.253 29.325 401.260 19.534 -24.00681      35.23518 
1 1 1 -3  2  23 o 531.404 14.983 759.141   42.686  775.297   60.437  743.059   60.297  536.295 21.020 524.970 21.424 11.32501       30.01327 
1 1 1 -3  2  25 o 334.530 14.298 301.003   25.643  300.949   36.223  301.057   36.307  333.316 20.368 333.368 20.412 -0.5242920E-01 28.83571 
1 1 1 -3  2  27 o 139.397 20.721 53.669    15.014  30.419    21.710  74.982    20.787  106.151 33.842 164.538 24.295 -58.38774      41.65941 
1 1 1 -3  2  29 o 248.424 23.410 169.507   30.812  184.772   46.317  157.389   41.268  256.003 34.635 236.339 33.508 19.66385       48.19073 
1 1 1 -3  2  31 o 221.715 20.860 135.741   24.504  133.967   40.503  136.766   30.776  214.078 36.604 220.610 26.553 -6.531799      45.22118 
1 1 1 -3  2  33 o 175.041 24.237 87.368    22.135  94.004    38.783  84.162    26.956  172.289 42.298 168.720 30.940 3.568558       52.40633 
1 1 1 -3  2  35 o 315.449 23.526 284.996   39.502  278.051   53.872  293.071   58.093  301.565 33.909 307.425 35.924 -5.859528      49.39970 
1 1 1 -3  2  37 o 136.975 28.422 58.159    20.188  51.752    28.589  64.532    28.512  122.828 38.800 137.877 37.554 -15.04917      53.99755 
1 1 1 -3  2  39 o 129.671 32.990 58.123    22.990  29.813    33.288  83.943    31.790  95.958  39.694 149.750 39.154 -53.79169      55.75514 
1 1 1 -3  2  41 o 157.407 32.741 90.239    26.730  118.012   37.613  61.901    37.994  165.013 42.314 111.195 43.648 53.81803       60.79170 
1 1 1 -3  2  43 o 153.153 37.535 98.886    30.580  133.474   46.477  72.482    40.609  149.107 49.657 110.096 44.482 39.01087       66.66718 
1 1 1 -3  2  45 o 103.687 43.540 82.638    40.938  102.499   49.843  41.462    71.768  104.209 45.900 79.662  39.871 24.54769       60.79883 
1 1 1 -3  2  47 o 92.659  41.901 108.432   44.522  134.083   83.049  98.087    52.741  74.567  37.949 80.839  39.190 -6.272095      54.55275 
1 1 1 -3  3  2  o 697.931 16.412 1308.78   61.410  1316.10   86.845  1301.45   86.847  699.082 23.171 695.163 23.302 3.919067       32.86174 
1 1 1 -3  3  4  o 1022.74 23.431 2817.93   128.476 2753.73   222.557 2850.02   157.339 1005.78 41.273 1027.31 28.567 -21.52209      50.19509 
1 1 1 -3  3  6  o 799.550 17.415 1719.30   74.652  1761.44   86.211  1593.03   149.249 808.887 19.879 765.439 36.369 43.44806       41.44750 
1 1 1 -3  3  8  o 742.706 23.730 1490.24   94.490  1684.84   133.650 1295.77   133.607 787.332 31.662 688.063 36.348 99.26904       48.20413 
1 1 1 -3  3  10 o 389.391 13.347 407.750   27.865  414.632   39.368  400.841   39.446  392.061 18.729 385.439 19.089 6.622223       26.74231 
1 1 1 -3  3  12 f 270.682 13.117 197.163   19.036  199.448   26.931  194.882   26.911  271.091 18.643 267.919 18.855 3.172638       26.51568 
1 1 1 -3  3  14 o 235.118 13.083 149.224   16.427  142.613   23.081  156.010   23.384  228.945 18.975 239.637 18.340 -10.69244      26.38997 
1 1 1 -3  3  16 o 982.350 19.748 2604.65   104.005 2652.83   147.070 2556.45   147.102 988.106 27.762 969.737 28.294 18.36829       39.63923 
1 1 1 -3  3  18 o 653.087 22.643 1150.47   79.282  1129.79   112.246 1171.06   111.999 644.265 32.602 656.934 31.800 -12.66888      45.54268 
1 1 1 -3  3  20 o 280.217 15.752 211.687   23.569  206.364   28.957  222.134   40.568  276.219 19.682 285.585 26.810 -9.366028      33.25886 
1 1 1 -3  3  22 o 357.682 13.836 343.708   26.533  373.499   37.809  314.800   37.244  372.018 19.020 341.264 20.450 30.75403       27.92832 
1 1 1 -3  3  24 o 581.721 15.520 910.401   48.403  914.084   68.635  906.757   68.270  581.843 22.002 579.512 21.973 2.331116       31.09543 
1 1 1 -3  3  26 o 296.172 17.094 237.215   27.028  241.348   32.951  228.716   47.250  298.141 20.744 287.893 31.107 10.24765       37.38908 
1 1 1 -3  3  28 o 502.991 17.655 683.528   47.611  660.855   58.547  727.797   81.808  493.482 22.129 514.538 29.783 -21.05579      37.10416 
1 1 1 -3  3  30 o 252.041 16.822 172.987   22.601  138.400   31.243  210.954   32.734  222.560 26.718 276.915 22.236 -54.35495      34.76082 
1 1 1 -3  3  32 o 123.477 36.246 45.644    25.567  0.0000    0.0000  45.644    25.567  ?       ?      123.477 36.246 0.000000       36.24591 
1 1 1 -3  3  34 o 149.078 24.145 64.341    18.638  104.529   25.918  21.303    26.822  189.676 26.186 94.674  36.810 95.00235       45.17392 
1 1 1 -3  3  36 f 308.231 19.644 269.091   32.293  252.232   38.994  305.898   57.617  293.583 25.012 311.437 35.120 -17.85452      43.11676 
1 1 1 -3  3  38 o 154.012 26.443 73.366    21.048  57.438    28.576  92.252    31.118  126.265 38.620 163.856 36.371 -37.59085      53.05090 
1 1 1 -3  3  40 o 87.302  34.196 26.102    23.280  15.339    33.155  36.569    32.695  82.847  36.911 96.868  39.623 -14.02119      54.15191 
1 1 1 -3  3  42 o 154.327 35.497 93.292    28.758  100.013   41.754  87.227    39.667  135.012 47.020 127.070 45.684 7.942009       65.55840 
1 1 1 -3  3  44 o 123.120 41.175 79.947    31.950  50.785    46.403  106.234   44.056  89.851  41.436 123.298 47.386 -33.44695      62.94765 
1 1 1 -3  3  46 o 90.764  42.276 96.128    50.163  9.0685    71.633  179.901   70.268  69.467  35.343 97.497  46.749 -28.02982      58.60523 
1 1 1 -3  4  1  o 1437.34 36.252 5618.45   279.363 5876.44   395.216 5360.83   394.942 1460.20 50.484 1392.81 52.889 67.38843       73.11561 
1 1 1 -3  4  3  o 1333.08 28.244 4807.00   201.861 4884.40   247.244 4652.26   349.586 1340.86 34.393 1298.90 50.200 41.95972       60.85200 
1 1 1 -3  4  5  o 736.829 19.341 1462.30   76.404  1465.56   93.582  1455.79   132.319 736.777 23.691 731.655 33.732 5.121948       41.22049 
1 1 1 -3  4  7  o 388.347 19.140 406.557   39.850  406.557   39.850  0.0000    0.0000  388.347 19.140 ?       ?      0.000000       19.13984 
1 1 1 -3  4  9  o 352.710 13.003 334.552   24.589  354.838   34.779  314.277   34.770  362.730 17.884 340.700 19.113 22.03058       26.17495 
1 1 1 -3  4  11 o 352.020 13.257 333.471   25.020  356.180   35.429  310.878   35.339  362.728 18.277 338.568 19.552 24.16025       26.76451 
1 1 1 -3  4  13 o 524.899 14.658 742.074   41.250  732.463   58.333  751.687   58.341  520.219 20.915 527.065 20.646 -6.846619      29.38862 
1 1 1 -3  4  15 o 854.476 21.015 1972.04   96.270  2071.93   117.925 1772.47   166.689 874.429 25.154 802.891 38.724 71.53766       46.17667 
1 1 1 -3  4  17 o 673.623 18.186 1221.26   65.677  1173.29   80.361  1317.75   113.974 659.523 22.727 697.216 30.491 -37.69299      38.02898 
1 1 1 -3  4  19 o 506.730 16.890 690.279   45.886  700.813   56.165  669.134   79.572  510.238 20.532 496.510 30.034 13.72766       36.38100 
1 1 1 -3  4  21 o 712.398 19.298 1365.91   73.706  1350.05   127.834 1373.81   90.210  705.347 33.804 713.753 23.574 -8.406677      41.21260 
1 1 1 -3  4  23 o 537.073 15.146 775.679   43.611  718.058   61.692  833.239   61.659  515.787 22.309 555.883 20.689 -40.09576      30.42605 
1 1 1 -3  4  25 o 413.007 14.462 458.925   32.023  450.188   45.649  467.391   44.936  407.716 20.954 416.087 20.144 -8.371033      29.06613 
1 1 1 -3  4  27 o 745.141 19.785 1501.49   79.038  1532.14   97.156  1441.52   135.912 751.114 24.126 723.398 35.044 27.71582       42.54581 
1 1 1 -3  4  29 o 87.499  29.272 20.062    16.148  8.5890    20.849  37.260    25.526  79.195  31.917 115.688 36.676 -36.49374      48.61862 
1 1 1 -3  4  31 o 340.310 21.515 319.953   39.052  0.0000    0.0000  319.953   39.052  ?       ?      340.310 21.515 0.000000       21.51468 
1 1 1 -3  4  33 o 326.142 18.204 294.220   31.703  296.830   57.421  293.076   38.024  315.459 34.514 323.181 22.077 -7.722534      40.97126 
1 1 1 -3  4  35 o 95.206  29.271 27.296    16.391  12.903    26.062  36.715    21.083  85.231  35.179 108.621 33.163 -23.38917      48.34608 
1 1 1 -3  4  37 o 126.021 27.712 49.417    18.214  67.670    29.551  38.234    23.129  139.849 38.291 107.636 34.992 32.21302       51.87109 
1 1 1 -3  4  39 o 59.848  27.629 -7.1854   20.712  2.5501    30.872  -15.1551  27.932  76.203  34.630 64.621  30.552 11.58152       46.18134 
1 1 1 -3  4  41 f 104.134 37.820 45.881    27.279  46.882    50.611  45.472    32.385  98.425  44.576 101.069 40.098 -2.643311      59.95738 
1 1 1 -3  4  43 o 114.639 39.378 62.903    29.235  82.373    41.533  43.783    41.158  115.767 45.574 92.014  41.051 23.75278       61.33616 
1 1 1 -3  4  45 o 94.323  43.285 84.541    49.785  99.493    68.133  67.411    72.926  89.117  43.502 82.109  40.957 7.007416       59.74860 
1 1 1 -3  5  2  o 369.132 15.480 366.583   30.635  355.406   53.110  372.156   37.503  361.020 27.649 371.125 18.911 -10.10474      33.49794 
1 1 1 -3  5  4  o 381.479 13.456 391.231   27.521  388.803   38.916  393.660   38.926  379.251 19.202 382.116 19.001 -2.864899      27.01394 
1 1 1 -3  5  6  o 613.864 17.888 1015.94   58.872  1033.41   72.103  980.996   101.973 618.277 21.752 598.709 31.883 19.56744       38.59661 
1 1 1 -3  5  8  o 424.663 13.747 485.276   31.298  484.206   44.227  486.350   44.297  423.380 19.484 424.319 19.472 -0.9384766     27.54637 
1 1 1 -3  5  10 o 706.019 23.396 1352.06   88.559  1372.98   125.240 1331.14   125.243 707.356 33.024 696.237 33.552 11.11932       47.07827 
1 1 1 -3  5  12 o 576.826 14.922 895.900   46.146  875.757   65.117  916.222   65.405  568.986 21.346 582.078 20.958 -13.09161      29.91523 
1 1 1 -3  5  14 o 233.046 18.751 147.310   23.230  164.034   33.345  131.539   32.381  244.801 25.795 218.413 28.319 26.38712       38.30628 
1 1 1 -3  5  16 o 1089.03 24.406 3200.44   142.500 3159.08   174.517 3283.19   246.844 1080.09 30.137 1095.91 42.012 -15.81421      51.70412 
1 1 1 -3  5  18 f 628.380 15.593 1060.94   52.532  1005.37   74.131  1116.98   74.453  610.924 22.633 644.087 21.561 -33.16302      31.25901 
1 1 1 -3  5  20 o 909.871 21.801 2230.04   106.349 2120.23   184.075 2285.05   130.296 882.526 38.904 919.983 26.417 -37.45752      47.02538 
1 1 1 -3  5  22 o 141.442 17.198 54.621    12.773  45.647    17.693  64.390    18.460  127.561 26.726 152.742 23.279 -25.18092      35.44310 
1 1 1 -3  5  24 o 506.944 15.004 691.446   40.779  605.877   57.703  776.817   57.636  473.415 22.734 536.558 20.036 -63.14270      30.30335 
1 1 1 -3  5  26 o 438.748 21.045 520.742   49.503  520.742   49.503  0.0000    0.0000  438.748 21.045 ?       ?      0.000000       21.04502 
1 1 1 -3  5  28 o 649.067 19.065 1141.76   66.343  1082.85   81.462  1257.78   114.325 630.047 24.116 674.861 31.598 -44.81378      39.74938 
1 1 1 -3  5  30 o 344.108 17.837 323.323   32.795  353.350   58.986  309.888   39.455  353.164 31.483 335.239 22.076 17.92520       38.45175 
1 1 1 -3  5  32 o 208.358 21.047 121.458   23.188  87.510    40.004  138.636   28.457  165.463 44.240 221.209 24.401 -55.74577      50.52313 
1 1 1 -3  5  34 o 78.751  29.354 15.274    16.610  47.337    35.140  6.0488    18.849  122.219 43.097 71.222  29.698 50.99785       52.33895 
1 1 1 -3  5  36 o 143.467 32.049 65.309    24.029  43.792    30.018  103.692   40.093  114.715 39.873 171.193 43.572 -56.47826      59.06282 
1 1 1 -3  5  38 o 93.784  31.997 29.003    19.298  65.336    32.078  8.3943    24.159  130.330 41.092 75.529  32.626 54.80110       52.46902 
1 1 1 -3  5  40 o 140.493 34.366 73.020    25.672  70.172    38.075  75.394    34.763  120.953 44.567 129.402 42.939 -8.448921      61.88673 
1 1 1 -3  5  42 o 125.445 38.946 69.113    28.937  52.360    41.225  85.385    40.629  100.198 42.941 124.136 45.980 -23.93781      62.91390 
1 1 1 -3  5  44 o 76.726  34.906 22.195    31.473  -4.7947   46.069  45.816    43.099  71.094  34.925 87.137  40.092 -16.04316      53.17085 
1 1 1 -3  5  46 o 121.435 47.063 140.124   43.735  124.241   57.155  162.560   67.932  90.774  43.146 91.580  44.416 -0.8056488     61.92239 
1 1 1 -3  6  1  o 388.304 13.453 405.588   28.007  408.350   39.617  402.830   39.597  388.957 18.998 386.302 19.119 2.654968       26.95321 
1 1 1 -3  6  3  o 235.835 18.340 150.951   23.007  164.208   32.522  137.671   32.550  244.769 25.140 223.319 27.788 21.44995       37.47240 
1 1 1 -3  6  5  o 286.250 12.901 220.384   19.799  225.550   27.998  215.218   28.002  288.551 18.192 281.762 18.642 6.789032       26.04753 
1 1 1 -3  6  7  o 566.483 14.996 864.211   45.543  906.003   64.444  822.513   64.371  578.796 20.768 551.240 21.781 27.55560       30.09507 
1 1 1 -3  6  9  o 361.545 14.952 351.968   28.982  399.468   50.248  328.289   35.477  382.955 24.604 348.174 19.078 34.78049       31.13427 
1 1 1 -3  6  11 o 422.756 15.852 481.132   35.930  463.984   43.967  515.604   62.338  414.666 19.777 435.122 26.853 -20.45618      33.35008 
1 1 1 -3  6  13 o 428.766 13.713 494.029   31.523  477.374   36.372  544.302   63.191  421.280 16.104 447.798 26.438 -26.51834      30.95649 
1 1 1 -3  6  15 o 667.371 22.797 1200.05   81.568  1200.05   81.568  0.0000    0.0000  667.371 22.797 ?       ?      0.000000       22.79708 
1 1 1 -3  6  17 o 539.064 14.933 780.541   43.156  796.258   60.941  764.731   61.124  543.940 20.897 533.013 21.389 10.92725       29.90329 
1 1 1 -3  6  19 o 349.761 19.621 330.210   36.645  0.0000    0.0000  330.210   36.645  ?       ?      349.761 19.621 0.000000       19.62114 
1 1 1 -3  6  21 o 515.138 14.915 713.333   41.194  706.739   58.317  719.899   58.196  512.022 21.244 516.800 21.004 -4.777466      29.87432 
1 1 1 -3  6  23 o 447.645 14.539 538.929   34.893  537.656   49.355  540.201   49.338  446.376 20.623 447.440 20.567 -1.063416      29.12616 
1 1 1 -3  6  25 o 215.306 31.610 129.188   35.401  129.188   35.401  0.0000    0.0000  215.306 31.610 ?       ?      0.000000       31.60968 
1 1 1 -3  6  27 o 216.790 17.016 127.754   19.619  131.967   28.306  123.858   27.216  218.762 24.559 211.889 24.404 6.872086       34.62192 
1 1 1 -3  6  29 o 475.026 17.618 613.431   44.869  634.904   78.322  602.941   54.742  475.587 30.885 469.234 21.760 6.353241       37.78029 
1 1 1 -3  6  31 o 380.473 17.566 396.474   35.832  379.963   62.788  404.447   43.634  361.970 32.708 381.782 21.404 -19.81210      39.08881 
1 1 1 -3  6  33 o 322.444 18.520 288.972   31.881  291.761   40.274  284.292   52.176  320.498 23.604 309.349 31.918 11.14880       39.69778 
1 1 1 -3  6  35 o 256.552 17.304 184.152   23.662  201.048   35.095  170.069   32.040  262.085 25.290 241.002 25.169 21.08290       35.67996 
1 1 1 -3  6  37 o 201.512 27.410 125.412   28.845  109.491   34.218  164.505   53.619  178.942 36.894 202.430 49.757 -23.48795      61.94275 
1 1 1 -3  6  39 o 96.909  33.083 33.519    20.630  62.386    35.340  18.596    25.410  119.395 43.096 82.178  34.393 37.21609       55.13689 
1 1 1 -3  6  41 o 75.770  32.400 14.885    23.375  -42.1502  58.780  25.599    25.476  75.836  37.652 85.446  34.967 -9.609871      51.38470 
1 1 1 -3  6  43 o 63.445  29.666 -1.4669   25.085  -11.1812  68.630  0.0310    26.949  78.609  39.291 65.622  30.705 12.98682       49.86510 
1 1 1 -3  6  45 o 49.957  24.766 -27.0696  25.065  -22.9674  43.934  -29.0492  30.520  62.284  31.176 53.895  26.820 8.388340       41.12536 
1 1 1 -3  7  2  o 340.445 18.824 313.747   34.224  303.609   48.252  324.011   48.549  333.103 27.258 344.367 26.499 -11.26468      38.01568 
1 1 1 -3  7  4  o 696.060 18.865 1307.51   70.400  1275.76   121.842 1323.43   86.256  682.753 33.286 699.145 23.012 -16.39130      40.46609 
1 1 1 -3  7  6  o 383.201 15.624 395.339   32.099  431.962   55.669  377.098   39.288  398.171 26.225 373.273 19.702 24.89752       32.80084 
1 1 1 -3  7  8  o 334.758 18.894 303.023   33.771  310.299   47.820  295.783   47.699  337.344 26.658 329.178 27.273 8.165771       38.13721 
1 1 1 -3  7  10 o 877.333 21.312 2075.77   100.244 2116.59   173.656 2055.37   122.762 880.715 36.778 871.657 26.269 9.057983       45.19598 
1 1 1 -3  7  12 o 364.451 12.894 356.673   25.195  353.896   28.999  365.223   50.887  362.924 14.904 366.915 26.037 -3.991364      30.00111 
1 1 1 -3  7  14 o 334.184 13.179 299.827   23.613  291.306   27.192  325.957   47.614  329.309 15.402 346.757 25.797 -17.44763      30.04451 
1 1 1 -3  7  16 o 456.565 14.321 559.771   35.054  550.007   40.459  589.168   70.200  452.424 16.680 466.385 28.208 -13.96130      32.77058 
1 1 1 -3  7  18 o 248.876 20.001 167.756   26.462  0.0000    0.0000  167.756   26.462  ?       ?      248.876 20.001 0.000000       20.00099 
1 1 1 -3  7  20 o 739.766 16.953 1472.15   67.238  1490.78   95.115  1453.54   95.062  743.156 23.872 733.752 24.165 9.403931       33.96828 
1 1 1 -3  7  22 o 351.599 14.206 332.388   26.778  323.343   37.837  341.465   37.903  345.622 20.511 355.293 19.979 -9.671173      28.63374 
1 1 1 -3  7  24 o 435.932 14.451 511.395   33.775  473.063   47.474  550.682   48.062  417.812 21.264 451.597 19.851 -33.78415      29.08946 
1 1 1 -3  7  26 o 284.725 17.771 219.942   26.992  221.740   46.317  219.017   33.215  282.484 31.098 283.217 22.048 -0.7332764     38.12079 
1 1 1 -3  7  28 o 144.385 25.551 58.993    19.055  87.431    36.526  48.360    22.335  171.623 40.373 129.033 32.348 42.58978       51.73313 
1 1 1 -3  7  30 o 146.128 22.153 60.251    16.811  56.792    26.016  62.731    22.028  137.596 35.142 146.789 29.020 -9.193237      45.57491 
1 1 1 -3  7  32 f 249.620 19.204 173.507   25.503  163.388   31.685  192.123   42.976  239.087 25.093 254.605 32.204 -15.51788      40.82553 
1 1 1 -3  7  34 o 311.032 19.013 271.498   31.553  258.856   39.666  293.283   52.069  298.894 24.982 311.496 31.617 -12.60214      40.29570 
1 1 1 -3  7  36 o 95.994  34.700 28.544    22.924  47.555    27.451  -15.2627  41.670  117.591 38.113 81.567  38.170 36.02415       53.94033 
1 1 1 -3  7  38 o 75.044  32.848 7.9167    25.176  24.520    44.307  -0.0002   30.595  95.292  42.547 74.943  34.219 20.34847       54.59990 
1 1 1 -3  7  40 o 115.531 36.201 52.130    24.938  55.298    47.089  50.895    29.399  106.396 45.754 110.214 39.360 -3.818077      60.35429 
1 1 1 -3  7  42 o 135.320 37.347 76.925    27.981  152.386   61.992  57.617    31.357  137.475 55.165 109.112 40.399 28.36265       68.37551 
1 1 1 -3  7  44 o 99.796  36.950 52.178    26.232  91.595    49.902  37.128    30.836  100.531 45.000 83.683  36.499 16.84725       57.94102 
1 1 1 -3  8  1  o 470.224 14.070 594.304   35.471  625.675   50.226  563.089   50.100  481.893 19.441 457.034 20.447 24.85947       28.21351 
1 1 1 -3  8  3  o 605.819 15.454 986.969   50.195  1006.73   71.020  967.240   70.953  610.921 21.683 598.744 22.103 12.17627       30.96341 
1 1 1 -3  8  5  o 695.373 18.762 1301.93   69.947  1410.57   121.382 1247.92   85.587  720.957 31.403 679.951 23.478 41.00598       39.20921 
1 1 1 -3  8  7  o 397.018 15.644 423.678   33.298  464.002   57.868  403.718   40.714  413.660 26.229 386.752 19.701 26.90805       32.80335 
1 1 1 -3  8  9  o 580.698 15.179 905.904   47.257  939.884   66.888  872.038   66.776  590.891 21.114 569.076 21.887 21.81494       30.41082 
1 1 1 -3  8  11 o 314.399 18.815 266.701   31.568  266.701   31.568  0.0000    0.0000  314.399 18.815 ?       ?      0.000000       18.81468 
1 1 1 -3  8  13 o 544.701 14.798 796.733   43.216  772.305   49.806  871.159   86.936  536.113 17.328 567.510 28.666 -31.39661      33.49608 
1 1 1 -3  8  15 o 970.271 19.530 2531.75   101.591 2474.26   117.259 2704.79   203.434 958.631 22.815 998.431 38.004 -39.80005      44.32688 
1 1 1 -3  8  17 f 620.067 21.860 1035.61   72.672  921.706   102.429 1151.07   103.123 582.310 32.944 652.444 29.481 -70.13361      44.20920 
1 1 1 -3  8  19 o 375.308 14.048 378.495   28.267  382.593   32.594  366.061   56.775  377.191 16.118 366.525 29.133 10.66650       33.29430 
1 1 1 -3  8  21 o 456.395 20.748 561.873   50.768  561.873   50.768  0.0000    0.0000  456.395 20.748 ?       ?      0.000000       20.74803 
1 1 1 -3  8  23 f 560.881 15.405 846.927   46.324  875.839   65.798  818.513   65.230  569.208 21.561 550.145 22.116 19.06305       30.88665 
1 1 1 -3  8  25 o 258.169 21.978 182.149   30.131  228.564   41.979  132.828   43.273  287.967 27.526 215.492 38.887 72.47516       47.64296 
1 1 1 -3  8  27 o 436.528 21.470 520.440   50.249  550.880   70.649  489.278   71.483  444.426 29.824 417.394 32.192 27.03128       43.88379 
1 1 1 -3  8  29 o 433.576 15.242 511.093   35.430  509.129   50.611  512.980   49.614  428.937 22.083 431.421 21.450 -2.484436      30.78585 
1 1 1 -3  8  31 o 284.147 23.258 227.576   35.120  268.257   53.661  197.094   46.451  300.803 33.863 256.913 34.604 43.89017       48.41608 
1 1 1 -3  8  33 o 218.154 18.681 133.378   21.639  143.505   33.129  125.842   28.576  220.122 28.760 207.583 26.265 12.53877       38.94816 
1 1 1 -3  8  35 o 74.841  31.355 8.4482    21.152  8.3655    37.836  8.4857    25.511  90.463  39.911 79.597  33.937 10.86542       52.38901 
1 1 1 -3  8  37 o 145.935 28.427 68.411    21.442  98.277    31.673  43.145    29.132  167.219 36.365 108.273 39.121 58.94588       53.41229 
1 1 1 -3  8  39 o 110.898 38.153 48.517    27.450  59.252    51.741  44.312    32.382  110.423 47.722 104.595 40.508 5.828262       62.59658 
1 1 1 -3  8  41 o 124.914 46.379 83.788    41.385  35.758    55.091  146.002   62.700  93.691  43.858 140.266 55.748 -46.57504      70.93177 
1 1 1 -3  8  43 o 46.002  23.079 -47.8498  24.743  -13.9168  41.222  -66.9602  30.935  67.771  33.240 48.455  24.497 19.31630       41.29179 
1 1 1 -3  9  2  o 306.192 18.458 252.943   30.159  283.329   43.040  223.632   42.272  323.309 25.026 286.580 27.865 36.72900       37.45317 
1 1 1 -3  9  4  o 295.604 13.101 234.565   20.763  239.762   29.391  229.388   29.335  298.089 18.482 291.503 18.871 6.585846       26.41435 
1 1 1 -3  9  6  o 618.271 22.100 1028.63   73.257  987.202   103.626 1070.02   103.578 603.576 32.139 629.473 30.692 -25.89697      44.43962 
1 1 1 -3  9  8  o 237.715 13.510 152.173   17.147  136.507   24.354  167.573   24.147  224.390 20.469 249.057 18.210 -24.66777      27.39698 
1 1 1 -3  9  10 o 933.005 22.023 2341.83   110.163 2288.36   134.863 2449.04   190.975 921.414 27.300 950.930 37.459 -29.51611      46.35180 
1 1 1 -3  9  12 f 808.874 19.962 1759.27   86.568  1641.51   105.847 1997.18   150.444 780.610 25.291 859.633 32.643 -79.02277      41.29429 
1 1 1 -3  9  14 o 719.323 23.450 1393.74   90.435  1341.85   127.419 1446.41   128.374 703.994 33.759 731.119 32.751 -27.12531      47.03493 
1 1 1 -3  9  16 o 365.058 13.784 357.946   26.977  354.115   30.954  370.044   55.013  362.981 15.906 369.007 28.016 -6.026001      32.21688 
1 1 1 -3  9  18 o 337.352 13.887 305.795   25.116  311.042   28.901  289.604   50.770  340.112 15.849 325.685 29.393 14.42731       33.39388 
1 1 1 -3  9  20 o 336.085 16.548 303.984   29.817  303.984   29.817  0.0000    0.0000  336.085 16.548 ?       ?      0.000000       16.54772 
1 1 1 -3  9  22 o 448.579 14.719 541.544   35.398  524.628   40.893  592.108   70.699  441.187 17.288 465.720 28.451 -24.53223      33.29216 
1 1 1 -3  9  24 o 404.439 14.750 440.994   31.982  455.763   45.538  426.619   44.926  409.489 20.811 396.034 21.236 13.45563       29.73352 
1 1 1 -3  9  26 o 261.313 15.453 185.454   21.553  192.109   30.667  178.960   30.296  264.298 21.838 254.866 22.400 9.431732       31.28323 
1 1 1 -3  9  28 o 360.232 14.712 352.291   28.414  423.188   40.836  285.746   39.563  393.006 19.381 320.711 23.165 72.29550       30.20318 
1 1 1 -3  9  30 o 209.967 25.842 125.998   28.476  168.072   47.412  102.257   35.615  234.475 39.092 182.735 37.607 51.73994       54.24440 
1 1 1 -3  9  32 o 112.618 27.969 38.093    16.810  54.164    26.470  27.230    21.762  131.024 36.386 97.504  33.946 33.51968       49.76258 
1 1 1 -3  9  34 o 139.086 28.961 59.582    20.894  57.481    41.109  60.313    24.261  127.416 46.405 137.241 33.309 -9.824669      57.12209 
1 1 1 -3  9  36 o 226.535 23.306 153.574   27.901  158.549   36.765  146.817   42.846  220.688 32.007 201.202 41.108 19.48546       52.09970 
1 1 1 -3  9  38 o 219.471 24.913 149.685   28.795  199.441   39.347  92.307    42.253  245.569 30.546 142.723 47.338 102.8455       56.33787 
1 1 1 -3  9  40 o 59.278  27.231 -4.2251   19.776  -19.4897  36.400  2.1673    23.556  69.086  33.260 67.595  30.530 1.491646       45.14810 
1 1 1 -3  9  42 o 60.886  28.497 -3.8526   23.243  -33.9957  42.104  9.3595    27.875  65.113  32.247 71.437  32.635 -6.324249      45.87980 
1 1 1 -3  10 1  o 1306.19 23.984 4591.30   167.960 4612.46   237.535 4570.13   237.527 1306.67 33.907 1300.61 34.064 6.056152       48.06270 
1 1 1 -3  10 3  o 1253.67 23.293 4228.53   156.559 4321.32   221.437 4135.79   221.378 1265.13 32.647 1237.47 33.368 27.65356       46.68236 
1 1 1 -3  10 5  o 798.562 19.860 1714.03   85.028  1700.15   147.218 1720.97   104.157 793.169 34.620 799.649 24.295 -6.479919      42.29388 
1 1 1 -3  10 7  o 505.487 20.399 686.940   55.283  686.940   55.283  0.0000    0.0000  505.487 20.399 ?       ?      0.000000       20.39893 
1 1 1 -3  10 9  o 864.073 18.222 2006.35   84.414  2010.98   119.405 2001.72   119.355 864.010 25.777 862.012 25.826 1.998230       36.48882 
1 1 1 -3  10 11 o 467.205 16.557 586.461   41.473  605.988   71.636  576.616   50.864  473.054 28.377 462.990 20.491 10.06387       35.00185 
1 1 1 -3  10 13 o 315.165 15.853 267.563   26.701  273.544   45.753  264.475   32.881  317.207 27.166 312.920 19.700 4.286682       33.55688 
1 1 1 -3  10 15 o 713.313 16.540 1367.99   63.255  1352.09   72.998  1415.91   126.732 708.792 19.210 722.608 32.712 -13.81635      37.93568 
1 1 1 -3  10 17 o 487.956 14.549 639.941   38.061  618.145   43.744  707.856   77.217  479.344 17.021 510.576 28.320 -31.23233      33.04142 
1 1 1 -3  10 19 f 664.831 16.158 1189.40   57.592  1154.36   66.342  1296.57   116.026 654.504 18.906 690.501 31.342 -35.99646      36.60245 
1 1 1 -3  10 21 o 613.743 18.306 1016.23   60.234  1036.21   73.688  976.003   104.565 618.816 22.211 596.426 32.827 22.38947       39.63523 
1 1 1 -3  10 23 o 318.268 16.796 274.434   28.558  278.735   34.591  265.228   50.606  319.996 20.268 308.991 30.965 11.00531       37.00829 
1 1 1 -3  10 25 f 244.872 15.310 162.922   19.999  171.249   23.158  138.495   39.662  250.609 17.343 219.517 34.867 31.09212       38.94149 
1 1 1 -3  10 27 o 195.272 17.512 104.812   18.138  149.897   26.384  64.405    24.977  232.509 21.406 148.028 32.374 84.48163       38.81065 
1 1 1 -3  10 29 o 501.375 17.793 690.190   47.827  829.957   84.085  623.344   58.151  538.440 29.237 472.785 22.941 65.65494       37.16363 
1 1 1 -3  10 31 o 180.161 19.752 91.301    18.766  119.115   28.855  70.913    24.704  202.053 27.339 153.289 31.122 48.76360       41.42463 
1 1 1 -3  10 33 o 84.085  29.807 19.832    16.830  58.597    31.375  4.1731    19.941  131.597 40.503 70.221  29.974 61.37674       50.38784 
1 1 1 -3  10 35 o 118.453 38.473 49.823    27.963  95.849    51.048  30.092    33.423  147.365 51.947 99.602  40.316 47.76244       65.75563 
1 1 1 -3  10 37 f 115.757 36.478 48.731    25.281  59.116    36.533  39.189    35.021  120.107 43.745 103.740 41.521 16.36709       60.31293 
1 1 1 -3  10 39 o 83.873  35.759 19.355    28.321  -45.0767  63.491  35.359    31.643  80.474  39.810 96.898  39.225 -16.42337      55.88764 
1 1 1 -3  10 41 o 52.531  25.539 -23.1192  22.829  0.0000    0.0000  -23.1192  22.829  ?       ?      52.531  25.539 0.000000       25.53946 
1 1 1 -3  11 2  o 601.551 15.414 971.698   49.712  919.145   70.206  1024.54   70.401  584.500 22.404 617.213 21.275 -32.71259      30.89579 
1 1 1 -3  11 4  o 1221.99 32.476 4034.15   212.767 4009.26   300.934 4059.03   300.862 1213.39 46.259 1221.02 45.959 -7.632202      65.20895 
1 1 1 -3  11 6  o 702.670 19.031 1327.29   71.695  1293.37   87.748  1395.40   124.351 693.109 23.614 718.585 32.278 -25.47583      39.99302 
1 1 1 -3  11 8  o 614.422 15.609 1014.03   51.418  984.853   72.707  1043.23   72.725  604.868 22.421 622.608 21.787 -17.73981      31.26262 
1 1 1 -3  11 10 o 491.719 20.539 650.633   54.145  673.421   76.798  628.110   76.351  498.514 28.858 481.230 29.739 17.28467       41.43862 
1 1 1 -3  11 12 o 853.877 18.209 1960.99   83.360  1901.74   117.894 2020.23   117.885 839.390 26.197 865.318 25.410 -25.92859      36.49630 
1 1 1 -3  11 14 o 411.116 14.151 454.090   31.190  438.328   43.960  470.068   44.260  402.920 20.417 417.843 19.757 -14.92300      28.41123 
1 1 1 -3  11 16 o 578.710 17.478 901.282   54.227  901.282   54.227  0.0000    0.0000  578.710 17.478 ?       ?      0.000000       17.47781 
1 1 1 -3  11 18 o 675.696 18.633 1230.59   67.500  1127.88   82.381  1440.40   117.743 645.776 23.794 727.828 30.174 -82.05200      38.42720 
1 1 1 -3  11 20 o 275.415 17.052 205.361   25.055  199.221   30.214  218.882   44.834  270.558 20.994 281.525 30.175 -10.96637      36.75919 
1 1 1 -3  11 22 o 219.065 18.269 130.838   21.261  151.310   25.400  82.920    38.860  235.243 20.339 168.026 42.968 67.21693       47.53882 
1 1 1 -3  11 24 o 297.721 15.306 240.633   24.348  245.885   28.076  224.703   48.901  300.382 17.510 281.293 33.056 19.08899       37.40700 
1 1 1 -3  11 26 o 225.758 18.150 140.057   21.782  140.057   21.782  0.0000    0.0000  225.758 18.150 ?       ?      0.000000       18.14963 
1 1 1 -3  11 28 o 185.398 23.698 97.323    23.016  80.203    30.111  121.384   35.698  162.892 35.483 202.115 34.161 -39.22368      49.25459 
1 1 1 -3  11 30 o 274.737 18.849 210.048   27.596  205.260   34.239  218.924   46.618  268.539 24.036 270.928 32.760 -2.389618      40.63170 
1 1 1 -3  11 32 o 67.997  27.282 8.4051    15.160  50.434    23.207  -22.8787  20.022  125.896 33.711 52.694  25.183 73.20163       42.07803 
1 1 1 -3  11 34 o 205.709 25.350 127.345   27.366  122.667   34.980  134.724   43.936  192.780 35.140 192.493 43.586 0.2873077      55.98683 
1 1 1 -3  11 36 o 175.986 42.573 116.660   39.731  116.660   39.731  0.0000    0.0000  175.986 42.573 ?       ?      0.000000       42.57264 
1 1 1 -3  11 38 o 190.410 25.613 114.032   25.484  133.482   44.186  104.337   31.195  177.996 45.978 171.482 35.113 6.513885       57.85233 
1 1 1 -3  11 40 o 80.435  34.909 19.003    27.921  0.0000    0.0000  19.003    27.921  ?       ?      80.435  34.909 0.000000       34.90895 
1 1 1 -3  12 1  o 599.067 21.922 965.969   70.408  949.727   99.295  982.394   99.852  591.932 31.401 602.129 31.037 -10.19666      44.15069 
1 1 1 -3  12 3  o 547.159 17.257 804.593   50.624  750.260   87.228  832.188   62.165  525.968 31.071 556.138 20.849 -30.17041      37.41797 
1 1 1 -3  12 5  f 401.828 16.031 433.816   34.537  416.195   59.415  442.809   42.444  391.614 28.494 405.751 19.511 -14.13718      34.53392 
1 1 1 -3  12 7  o 606.566 17.991 989.223   58.507  1010.58   101.486 978.591   71.604  610.498 31.110 602.833 22.155 7.664978       38.19223 
1 1 1 -3  12 9  o 476.345 16.768 609.934   42.822  638.146   74.949  596.261   52.178  485.071 28.952 470.637 20.679 14.43344       35.57846 
1 1 1 -3  12 11 o 723.880 23.682 1413.05   91.908  1455.01   130.538 1371.81   129.423 732.444 33.242 711.015 33.952 21.42847       47.51612 
1 1 1 -3  12 13 o 499.149 17.063 670.209   45.661  711.666   79.487  649.791   55.783  511.866 29.085 491.026 21.190 20.84045       35.98528 
1 1 1 -3  12 15 o 554.053 30.973 836.584   91.635  0.0000    0.0000  836.584   91.635  ?       ?      554.053 30.973 0.000000       30.97285 
1 1 1 -3  12 17 o 499.037 14.783 670.229   39.550  671.749   45.735  665.719   78.759  499.272 17.086 493.494 29.909 5.778687       34.44548 
1 1 1 -3  12 19 o 499.710 20.545 676.458   55.042  602.692   76.938  753.792   78.776  467.675 30.858 524.406 28.122 -56.73016      41.74995 
1 1 1 -3  12 21 o 268.653 14.554 195.440   20.885  192.924   24.291  202.570   40.893  266.405 17.098 269.711 28.722 -3.306000      33.42597 
1 1 1 -3  12 23 o 400.518 14.585 434.151   31.319  447.379   35.974  392.720   63.664  406.025 16.526 372.953 32.154 33.07285       36.15199 
1 1 1 -3  12 25 o 97.726  31.554 26.700    18.829  26.700    18.829  0.0000    0.0000  97.726  31.554 ?       ?      0.000000       31.55398 
1 1 1 -3  12 27 o 156.234 22.279 68.991    18.133  83.323    21.749  36.310    32.842  171.150 24.392 114.763 41.526 56.38691       48.16003 
1 1 1 -3  12 29 o 188.457 20.263 99.839    20.152  103.162   24.043  91.991    36.946  189.803 24.176 169.510 41.083 20.29376       47.66858 
1 1 1 -3  12 31 o 113.394 37.116 40.992    26.007  62.772    42.668  28.116    32.806  133.827 47.458 102.619 40.470 31.20887       62.37019 
1 1 1 -3  12 33 o 58.993  26.766 -5.9936   18.346  4.5090    23.071  -24.0565  30.256  73.398  31.794 66.320  31.485 7.077713       44.74516 
1 1 1 -3  12 35 o 186.060 18.310 99.444    18.028  98.740    23.323  100.489   28.415  180.657 24.729 176.733 31.125 3.924133       39.75342 
1 1 1 -3  12 37 o 143.339 30.300 68.150    22.556  89.259    38.337  56.974    27.896  146.469 44.720 122.965 38.249 23.50446       58.84605 
1 1 1 -3  12 39 f 165.332 38.372 107.766   33.358  0.0000    0.0000  107.766   33.358  ?       ?      165.332 38.372 0.000000       38.37240 
1 1 1 -3  13 2  o 577.286 17.702 896.041   54.789  919.974   67.174  848.480   94.695  584.536 21.435 559.031 31.726 25.50562       38.28813 
1 1 1 -3  13 4  o 475.678 14.229 607.752   36.288  546.664   50.992  670.432   51.652  450.605 21.107 499.192 19.299 -48.58713      28.60047 
1 1 1 -3  13 6  o 410.073 16.319 452.001   35.879  453.853   62.393  451.087   43.855  408.786 28.650 409.382 19.981 -0.5957642     34.92927 
1 1 1 -3  13 8  o 434.858 14.305 508.043   33.350  472.878   47.146  543.262   47.182  418.471 21.082 449.241 19.590 -30.77014      28.77828 
1 1 1 -3  13 10 o 442.813 14.386 526.942   34.153  513.327   48.535  540.297   48.068  436.469 20.741 447.868 20.019 -11.39850      28.82607 
1 1 1 -3  13 12 o 118.554 21.759 39.104    13.320  34.907    17.391  45.061    20.719  111.401 28.878 126.333 30.856 -14.93168      42.26171 
1 1 1 -3  13 14 o 507.090 17.124 692.801   46.555  704.823   57.212  669.242   80.092  510.842 20.890 494.846 30.335 15.99557       36.83225 
1 1 1 -3  13 16 o 103.200 27.257 30.066    15.305  19.944    21.807  39.892    21.487  93.164  33.819 118.704 32.713 -25.53976      47.05138 
1 1 1 -3  13 18 o 200.568 18.588 109.832   19.761  125.161   24.553  81.648    33.293  213.542 21.750 167.920 37.883 45.62216       43.68226 
1 1 1 -3  13 20 o 191.941 15.486 100.284   15.800  103.415   18.564  92.055    30.095  194.422 18.015 179.296 32.505 15.12614       37.16328 
1 1 1 -3  13 22 f 213.024 17.512 124.204   19.823  127.094   24.325  118.490   34.203  214.421 21.447 203.072 32.512 11.34920       38.94883 
1 1 1 -3  13 24 o 150.995 20.666 63.714    16.291  53.464    20.942  79.422    25.925  135.379 29.672 165.490 30.337 -30.11128      42.43552 
1 1 1 -3  13 26 o 123.948 23.257 44.030    14.887  43.345    16.580  46.881    33.820  122.081 26.121 125.513 42.361 -3.432526      49.76712 
1 1 1 -3  13 28 o 180.393 24.980 93.706    23.510  93.706    23.510  0.0000    0.0000  180.393 24.980 ?       ?      0.000000       24.97955 
1 1 1 -3  13 30 o 219.452 19.653 136.242   22.878  112.739   28.415  179.563   38.577  194.312 28.091 244.134 30.112 -49.82198      41.18024 
1 1 1 -3  13 32 o 162.654 35.263 86.471    29.864  86.471    29.864  0.0000    0.0000  162.654 35.263 ?       ?      0.000000       35.26312 
1 1 1 -3  13 34 o 91.462  27.488 26.073    14.568  19.619    16.423  49.908    31.558  82.100  29.407 118.175 40.894 -36.07555      50.36993 
1 1 1 -3  13 36 o 85.890  35.042 20.049    25.487  50.489    34.112  -18.4177  38.347  114.072 42.156 74.699  35.458 39.37227       55.08493 
1 1 1 -3  13 38 f 80.528  32.197 19.998    21.034  20.373    24.256  18.862    42.232  82.179  33.930 88.218  40.250 -6.039299      52.64325 
1 1 1 -3  14 1  o 683.469 23.338 1260.37   85.519  1197.44   121.102 1322.97   120.782 662.888 34.192 698.180 32.267 -35.29236      47.01344 
1 1 1 -3  14 3  o 1016.90 28.794 2799.89   156.984 2812.22   222.115 2787.58   221.904 1014.04 40.855 1009.52 41.000 4.523315       57.88042 
1 1 1 -3  14 5  o 761.597 16.975 1560.54   69.310  1495.64   97.881  1625.81   98.158  744.117 24.535 776.045 23.592 -31.92822      34.03746 
1 1 1 -3  14 7  o 603.603 15.643 979.958   50.621  972.669   71.486  987.289   71.693  600.329 22.211 604.843 22.109 -4.513733      31.33847 
1 1 1 -3  14 9  o 476.370 16.895 611.040   43.148  597.981   52.922  636.930   74.518  470.685 20.972 483.461 28.881 -12.77667      35.69252 
1 1 1 -3  14 11 o 467.132 14.524 587.243   36.374  586.099   51.620  588.372   51.263  465.746 20.673 466.681 20.489 -0.9349976     29.10587 
1 1 1 -3  14 13 o 677.322 16.388 1237.19   59.511  1246.44   84.367  1228.04   83.958  677.810 23.216 672.766 23.277 5.043884       32.87583 
1 1 1 -3  14 15 o 263.241 20.002 188.863   28.018  186.012   39.326  191.802   39.927  258.973 28.813 263.030 28.783 -4.056549      40.72622 
1 1 1 -3  14 17 o 196.135 17.558 105.002   18.268  99.358    22.546  115.790   31.170  189.616 22.624 202.943 29.513 -13.32710      37.18674 
1 1 1 -3  14 19 o 461.478 20.845 581.042   51.573  600.383   72.448  561.171   73.433  464.361 29.250 448.003 30.759 16.35880       42.44629 
1 1 1 -3  14 21 o 198.855 21.574 109.619   22.632  109.619   22.632  0.0000    0.0000  198.855 21.574 ?       ?      0.000000       21.57411 
1 1 1 -3  14 23 o 125.499 19.566 44.131    12.735  39.970    14.797  56.023    25.014  118.083 24.186 137.320 34.126 -19.23755      41.82774 
1 1 1 -3  14 25 o 70.125  24.582 12.468    11.421  6.4370    12.623  39.681    26.815  62.892  25.008 115.984 37.675 -53.09183      45.21927 
1 1 1 -3  14 27 o 204.042 23.826 118.981   25.574  133.859   31.989  92.633    42.571  213.777 28.630 166.405 46.120 47.37212       54.28336 
1 1 1 -3  14 29 o 58.259  24.248 3.5718    12.532  4.1119    13.805  1.0420    29.879  61.120  25.445 80.607  35.520 -19.48787      43.69325 
1 1 1 -3  14 31 o 116.176 40.572 44.798    31.098  44.798    31.098  0.0000    0.0000  116.176 40.572 ?       ?      0.000000       40.57234 
1 1 1 -3  14 33 o 214.350 20.949 133.017   23.767  116.373   27.024  189.842   49.934  196.308 26.342 234.325 41.254 -38.01691      48.94674 
1 1 1 -3  14 35 o 79.747  30.565 17.724    18.299  2.4362    21.473  58.264    34.968  68.475  30.145 122.131 43.000 -53.65561      52.51416 
1 1 1 -3  14 37 o 91.701  35.332 29.664    24.538  29.664    24.538  0.0000    0.0000  91.701  35.332 ?       ?      0.000000       35.33225 
1 1 1 -3  15 2  o 372.918 14.014 374.106   28.020  369.746   39.773  378.401   39.480  369.510 20.153 373.894 19.765 -4.383301      28.22764 
1 1 1 -3  15 4  o 190.303 14.705 98.044    14.886  108.784   21.189  87.577    20.919  199.725 20.060 178.575 22.338 21.14923       30.02308 
1 1 1 -3  15 6  o 356.170 16.159 341.802   30.856  361.230   37.807  303.048   53.397  365.244 19.377 331.937 30.340 33.30652       35.99963 
1 1 1 -3  15 8  o 126.757 18.029 44.226    11.907  48.151    16.424  39.877    17.287  131.174 24.246 118.658 27.680 12.51619       36.79788 
1 1 1 -3  15 10 o 462.032 14.607 575.246   36.184  552.814   51.218  597.597   51.125  451.646 21.152 469.785 20.299 -18.13956      29.31638 
1 1 1 -3  15 12 o 338.277 16.208 309.015   29.395  283.112   50.852  322.013   36.023  319.659 30.024 344.196 19.602 -24.53760      35.85640 
1 1 1 -3  15 14 o 192.750 15.002 100.910   15.381  101.147   22.348  100.696   21.200  191.515 22.176 191.355 21.010 0.1607666      30.54855 
1 1 1 -3  15 16 o 100.411 25.361 28.735    13.657  35.690    18.826  21.011    19.840  111.623 30.563 91.829  32.383 19.79448       44.52834 
1 1 1 -3  15 18 o 262.612 20.957 189.563   29.260  189.563   29.260  0.0000    0.0000  262.612 20.957 ?       ?      0.000000       20.95693 
1 1 1 -3  15 20 o 259.298 17.405 183.822   24.056  190.399   30.037  172.057   40.175  262.585 21.525 245.614 31.214 16.97098       37.91653 
1 1 1 -3  15 22 o 229.145 15.664 143.516   19.128  136.320   21.641  169.216   40.897  222.515 18.303 241.853 32.351 -19.33836      37.16955 
1 1 1 -3  15 24 o 159.041 20.245 70.951    16.871  70.568    18.938  72.421    37.133  157.584 23.102 151.093 43.491 6.490250       49.24594 
1 1 1 -3  15 26 o 271.988 25.599 212.597   36.890  200.017   53.679  223.856   50.782  251.101 41.310 270.860 35.851 -19.75888      54.69780 
1 1 1 -3  15 28 o 140.655 30.624 60.629    22.438  53.264    29.211  71.228    35.044  127.911 39.032 145.484 42.358 -17.57283      57.59993 
1 1 1 -3  15 30 o 82.963  28.859 19.447    15.726  15.661    17.267  37.859    38.077  79.079  29.838 112.242 43.798 -33.16301      52.99578 
1 1 1 -3  15 32 o 132.897 29.458 55.316    20.438  53.660    23.158  61.147    43.457  128.387 33.346 128.140 47.536 0.2463989      58.06568 
1 1 1 -3  15 34 o 211.080 24.072 134.171   26.754  118.372   31.258  177.457   51.738  190.976 31.637 214.532 46.338 -23.55605      56.10767 
1 1 1 -3  15 36 o 50.561  24.427 -22.7348  20.048  -22.7348  20.048  0.0000    0.0000  50.561  24.427 ?       ?      0.000000       24.42703 
1 1 1 -3  16 1  o 426.319 16.523 490.522   37.765  441.543   64.500  516.071   46.584  400.234 30.283 436.616 19.901 -36.38208      36.23694 
1 1 1 -3  16 3  o 480.007 16.918 622.097   43.538  639.741   53.426  587.216   75.119  485.950 20.506 461.707 30.519 24.24268       36.76844 
1 1 1 -3  16 5  o 266.399 14.106 191.754   20.076  181.726   28.156  202.125   28.632  258.171 20.511 272.525 19.730 -14.35349      28.46013 
1 1 1 -3  16 7  o 168.929 15.921 77.699    14.249  75.683    19.747  79.889    20.581  165.341 22.891 169.880 23.204 -4.539215      32.59497 
1 1 1 -3  16 9  o 172.415 15.585 80.904    14.251  77.080    19.803  85.010    20.523  166.831 22.733 175.438 22.325 -8.606918      31.86172 
1 1 1 -3  16 11 o 192.958 14.975 101.132   15.371  97.402    21.853  104.784   21.624  187.890 22.117 195.233 20.989 -7.343079      30.49115 
1 1 1 -3  16 13 o 188.430 14.952 96.541    14.981  105.442   22.011  88.859    20.448  195.614 21.334 179.294 21.715 16.32027       30.44145 
1 1 1 -3  16 15 o 228.043 17.492 141.947   21.223  141.637   27.120  142.437   34.090  226.439 22.642 225.035 28.925 1.404266       36.73346 
1 1 1 -3  16 17 o 132.061 18.860 48.431    12.974  66.126    20.624  36.844    16.689  152.707 26.130 113.057 27.742 39.65035       38.11060 
1 1 1 -3  16 19 o 182.513 19.443 92.094    18.732  89.971    23.239  96.033    31.653  178.657 24.942 181.260 33.816 -2.603165      42.01915 
1 1 1 -3  16 21 o 146.839 23.819 61.314    18.109  54.426    20.936  81.773    36.084  136.273 29.511 162.725 41.293 -26.45264      50.75402 
1 1 1 -3  16 23 o 215.082 25.206 131.969   28.515  102.796   37.462  172.155   43.967  181.730 39.571 239.658 35.274 -57.92831      53.01070 
1 1 1 -3  16 25 o 261.397 20.483 191.710   28.476  208.105   34.748  158.187   49.688  270.039 24.260 221.067 43.473 48.97243       49.78383 
1 1 1 -3  16 27 o 71.035  26.018 12.452    12.949  12.452    12.949  0.0000    0.0000  71.035  26.018 ?       ?      0.000000       26.01833 
1 1 1 -3  16 29 o 118.999 26.464 42.615    16.447  37.796    17.979  67.326    40.713  110.790 29.674 138.518 46.479 -27.72830      55.14412 
1 1 1 -3  16 31 o 51.778  23.755 -7.9515   14.983  -16.9543  16.208  44.940    39.285  48.383  22.991 115.934 44.696 -67.55087      50.26262 
1 1 1 -3  16 33 o 159.380 34.466 85.394    28.594  59.271    35.113  136.824   49.267  124.496 43.133 183.465 49.114 -58.96943      65.36491 
1 1 1 -3  17 2  o 577.155 15.540 899.596   48.085  898.928   67.975  900.266   68.030  574.789 22.058 575.216 22.060 -0.4270020     31.19596 
1 1 1 -3  17 4  o 408.861 14.396 451.030   31.557  425.823   44.518  476.487   44.739  395.275 21.083 419.006 19.916 -23.73102      29.00242 
1 1 1 -3  17 6  o 323.981 16.108 283.745   27.979  247.807   48.300  301.894   34.324  298.098 30.658 333.037 19.307 -34.93866      36.23084 
1 1 1 -3  17 8  o 297.826 20.247 242.178   32.136  0.0000    0.0000  242.178   32.136  ?       ?      297.826 20.247 0.000000       20.24654 
1 1 1 -3  17 10 o 334.405 16.869 303.639   30.147  291.837   53.260  309.203   36.569  322.924 31.150 336.489 20.367 -13.56512      37.21682 
1 1 1 -3  17 12 o 181.071 19.137 90.119    18.296  77.637    33.746  95.315    21.774  162.237 39.228 185.472 22.347 -23.23448      45.14683 
1 1 1 -3  17 14 o 206.983 21.365 118.337   23.367  151.313   37.559  97.512    29.847  230.855 31.141 184.521 31.289 46.33356       44.14449 
1 1 1 -3  17 16 o 119.676 24.999 40.986    15.523  9.4083    39.650  46.702    16.869  101.225 42.695 127.802 25.513 -26.57721      49.73752 
1 1 1 -3  17 18 f 142.714 25.294 58.198    18.645  49.056    46.999  59.906    20.311  133.463 49.450 144.180 27.275 -10.71669      56.47346 
1 1 1 -3  17 20 o 131.097 30.185 50.849    20.777  0.0000    0.0000  50.849    20.777  ?       ?      131.097 30.185 0.000000       30.18511 
1 1 1 -3  17 22 o 104.913 42.651 22.119    37.589  22.119    37.589  0.0000    0.0000  104.913 42.651 ?       ?      0.000000       42.65071 
1 1 1 -3  17 24 o 112.133 30.858 37.902    19.135  37.902    19.135  0.0000    0.0000  112.133 30.858 ?       ?      0.000000       30.85826 
1 1 1 -3  17 26 o 85.403  29.305 20.281    16.189  9.8739    17.985  64.735    37.170  74.137  29.726 139.797 44.251 -65.65980      53.30783 
1 1 1 -3  17 28 o 192.801 20.719 105.836   21.080  117.187   24.244  70.660    42.678  201.763 22.813 141.524 47.587 60.23930       52.77313 
1 1 1 -3  17 30 o 161.467 26.655 78.663    22.269  73.490    26.268  91.880    41.988  151.400 33.270 157.380 46.521 -5.979874      57.19387 
1 1 1 -3  17 32 f 120.077 37.037 50.677    26.219  50.677    26.219  0.0000    0.0000  120.077 37.037 ?       ?      0.000000       37.03703 
1 1 1 -3  18 1  o 389.539 16.768 410.863   35.019  365.849   42.563  505.189   61.613  365.706 21.808 427.778 27.003 -62.07141      34.70945 
1 1 1 -3  18 3  f 261.752 17.269 186.420   24.099  173.284   40.225  193.775   30.098  248.305 30.883 265.883 21.293 -17.57837      37.51214 
1 1 1 -3  18 5  o 327.675 14.148 289.960   24.855  281.115   35.003  298.955   35.301  320.733 20.463 330.932 19.990 -10.19904      28.60632 
1 1 1 -3  18 7  f 85.019  25.307 20.146    12.392  20.337    16.604  19.905    18.618  88.105  29.682 89.252  31.380 -1.146278      43.19436 
1 1 1 -3  18 9  o 386.570 14.290 403.983   29.616  469.923   42.377  341.026   41.408  415.583 19.020 352.501 22.021 63.08231       29.09735 
1 1 1 -3  18 11 o 342.396 16.731 318.258   30.713  336.731   38.740  287.005   50.389  350.451 20.711 319.642 29.745 30.80850       36.24512 
1 1 1 -3  18 13 o 341.025 14.303 315.013   26.150  315.513   37.571  314.542   36.419  338.760 20.787 338.486 20.160 0.2736511      28.95747 
1 1 1 -3  18 15 o 202.207 16.337 112.006   17.560  115.413   25.618  108.986   24.116  202.828 24.025 197.310 23.244 5.517731       33.42855 
1 1 1 -3  18 17 o 374.674 17.152 383.668   34.455  401.802   59.795  374.655   42.157  375.129 29.982 367.683 21.479 7.446075       36.88149 
1 1 1 -3  18 19 o 158.706 20.386 70.609    16.945  85.475    27.159  61.134    21.682  170.561 30.835 144.387 29.016 26.17422       42.34075 
1 1 1 -3  18 21 o 73.716  27.600 12.355    14.716  19.950    22.623  6.7826    19.376  90.990  34.190 73.636  30.356 17.35400       45.72129 
1 1 1 -3  18 23 o 211.519 32.274 132.988   35.440  132.988   35.440  0.0000    0.0000  211.519 32.274 ?       ?      0.000000       32.27400 
1 1 1 -3  18 25 o 315.399 18.752 277.012   31.565  277.012   31.565  0.0000    0.0000  315.399 18.752 ?       ?      0.000000       18.75161 
1 1 1 -3  18 27 o 175.068 30.265 93.020    27.379  99.931    36.325  83.931    41.660  174.569 39.708 154.337 46.505 20.23267       61.15150 
1 1 1 -3  18 29 o 184.745 30.120 105.491   28.805  81.353    35.404  152.754   49.542  152.026 42.031 206.094 46.002 -54.06837      62.31223 
1 1 1 -3  19 2  o 322.985 14.417 282.220   24.964  276.141   35.108  288.438   35.505  317.301 20.752 324.398 20.520 -7.096741      29.18445 
1 1 1 -3  19 4  o 238.932 15.299 155.265   19.496  169.096   27.444  141.176   27.699  247.911 20.841 225.649 23.228 22.26251       31.20771 
1 1 1 -3  19 6  f 81.649  25.895 18.230    12.724  6.8702    16.438  35.212    20.099  70.327  28.341 110.612 32.043 -40.28516      42.77768 
1 1 1 -3  19 8  o 155.160 27.725 68.790    22.217  68.790    22.217  0.0000    0.0000  155.160 27.725 ?       ?      0.000000       27.72467 
1 1 1 -3  19 10 o 187.801 20.096 97.605    19.920  125.362   24.871  47.941    33.268  212.423 22.165 128.484 41.975 83.93849       47.46792 
1 1 1 -3  19 12 o 247.600 18.923 168.639   24.929  155.336   29.176  204.618   47.983  235.998 23.366 265.575 34.516 -29.57718      41.68113 
1 1 1 -3  19 14 f 214.039 26.383 129.729   29.635  124.061   38.921  137.548   45.712  204.291 36.894 212.719 41.573 -8.428497      55.58286 
1 1 1 -3  19 16 o 211.166 22.069 124.544   24.616  141.582   29.092  81.592    46.190  224.233 24.604 160.044 49.125 64.18887       54.94157 
1 1 1 -3  19 18 o 164.368 32.716 80.045    27.817  78.653    38.870  81.506    39.825  158.021 44.167 160.628 44.639 -2.606354      62.79628 
1 1 1 -3  19 20 o 277.031 24.950 217.029   36.659  217.029   36.659  0.0000    0.0000  277.031 24.950 ?       ?      0.000000       24.94990 
1 1 1 -3  19 22 o 80.110  31.542 12.739    19.898  15.737    23.839  5.8534    36.133  87.402  34.489 92.405  39.908 -5.003029      52.74587 
1 1 1 -3  19 24 o 103.987 34.276 32.277    22.165  23.099    26.806  52.114    39.410  96.172  36.963 127.851 45.581 -31.67947      58.68439 
1 1 1 -3  19 26 o 117.857 34.976 44.182    23.697  35.216    30.980  56.824    36.789  108.358 40.148 129.531 44.179 -21.17300      59.69646 
1 1 1 -3  20 1  o 90.310  25.292 23.236    12.733  2.4852    19.686  38.160    16.695  71.035  30.029 114.916 27.471 -43.88141      40.69905 
1 1 1 -3  20 3  o 233.817 18.695 150.076   23.239  152.681   28.402  144.800   40.423  234.503 22.882 223.385 34.893 11.11874       41.72701 
1 1 1 -3  20 5  o 203.013 19.245 113.555   20.697  126.248   25.673  89.994    34.978  213.027 22.835 173.668 38.571 39.35928       44.82330 
1 1 1 -3  20 7  o 217.201 15.850 128.803   18.329  140.629   26.664  118.208   25.238  225.042 22.398 205.856 23.277 19.18620       32.30267 
1 1 1 -3  20 9  o 146.511 19.477 59.692    14.920  80.747    23.176  44.791    19.497  168.548 26.524 123.959 29.722 44.58862       39.83661 
1 1 1 -3  20 11 o 265.786 17.268 193.320   24.473  206.596   43.651  187.233   29.556  269.033 30.820 260.141 21.381 8.891937       37.50981 
1 1 1 -3  20 13 o 194.292 18.551 104.133   19.089  80.224    27.459  126.492   26.554  165.618 32.084 212.532 23.709 -46.91368      39.89327 
1 1 1 -3  20 15 o 375.423 15.193 383.359   30.580  407.468   43.671  360.165   42.834  383.839 21.305 360.282 22.285 23.55661       30.83061 
1 1 1 -3  20 17 o 219.098 19.903 133.222   23.124  145.880   30.968  117.268   34.766  226.761 25.939 199.274 33.746 27.48634       42.56332 
1 1 1 -3  20 19 o 317.252 19.216 278.548   32.531  297.603   39.199  236.386   58.307  326.055 22.563 277.990 40.297 48.06430       46.18344 
1 1 1 -3  20 21 o 201.408 25.055 116.349   26.470  132.287   32.377  84.218    45.970  212.590 29.176 157.963 49.095 54.62740       57.10961 
1 1 1 -3  20 23 o 122.250 33.356 46.380    22.471  60.806    26.598  10.410    41.999  138.957 35.556 98.698  42.825 40.25868       55.66129 
1 1 1 -3  21 2  o 242.930 16.096 160.950   20.845  180.233   30.602  144.261   28.470  255.087 22.611 227.648 23.673 27.43941       32.73641 
1 1 1 -3  21 4  o 342.789 18.480 321.374   33.838  285.392   58.396  339.562   41.519  314.882 35.193 350.868 22.186 -35.98648      41.60252 
1 1 1 -3  21 6  o 174.919 23.110 85.633    21.142  104.788   37.266  76.543    25.674  187.795 38.311 162.737 30.548 25.05840       48.99904 
1 1 1 -3  21 8  o 92.899  31.050 23.367    18.168  0.0000    0.0000  23.367    18.168  ?       ?      92.899  31.050 0.000000       31.04982 
1 1 1 -3  21 10 o 72.754  26.506 12.393    13.414  -0.1716   19.528  23.615    18.457  68.266  29.411 93.312  31.295 -25.04605      42.94598 
1 1 1 -3  21 12 o 186.829 18.317 96.331    18.111  124.355   26.872  73.008    24.516  210.405 24.267 158.521 29.943 51.88406       38.54196 
1 1 1 -3  21 14 o 100.943 32.718 28.895    20.229  22.558    40.269  31.034    23.395  109.074 44.216 105.064 35.234 4.009712       56.53764 
1 1 1 -3  21 16 o 180.131 26.550 93.109    24.872  97.602    28.922  80.351    48.734  182.629 30.622 157.118 50.768 25.51050       59.28856 
1 1 1 -3  21 18 o 75.475  28.834 12.355    16.251  13.311    23.761  11.514    22.277  85.203  34.166 81.817  32.985 3.385551       47.49003 
1 1 1 -3  21 20 o 154.946 26.290 70.152    21.059  68.109    37.325  71.107    25.506  144.025 44.152 153.138 32.093 -9.113403      54.58316 
1 1 1 -3  22 1  o 127.650 29.627 47.484    19.885  38.263    24.898  63.726    33.044  115.174 36.186 145.264 40.766 -30.09010      54.50962 
1 1 1 -3  22 3  o 90.571  30.142 22.240    17.125  32.603    31.639  17.946    20.367  112.150 40.731 87.788  32.548 24.36208       52.13812 
1 1 1 -3  22 5  o 81.499  29.988 15.528    17.230  46.485    30.815  1.4481    20.782  125.998 40.334 71.680  30.598 54.31812       50.62642 
1 1 1 -3  22 7  o 74.565  27.096 13.176    14.005  1.1025    19.657  25.622    19.958  69.516  29.718 96.839  32.542 -27.32354      44.07006 
1 1 1 -3  22 9  o 117.620 24.791 39.823    15.140  72.464    22.110  11.004    20.775  158.977 26.900 80.384  32.045 78.59287       41.83917 
1 1 1 -3  22 11 o 137.806 33.589 56.706    24.590  59.768    44.168  55.331    29.602  140.392 48.391 134.983 38.825 5.408997       62.04055 
1 1 1 -3  22 13 o 97.427  28.668 27.554    15.977  30.362    24.818  25.568    20.878  104.564 36.261 96.633  33.272 7.930977       49.21246 
1 1 1 -3  22 15 o 113.071 27.994 37.782    16.880  34.231    25.570  40.524    22.472  108.785 36.834 116.073 33.956 -7.287987      50.09681 
1 1 1 -3  23 2  o 68.246  27.377 7.0893    15.263  -20.0451  21.609  34.105    21.562  58.274  27.339 108.436 33.610 -50.16197      43.32510 
1 1 1 -3  23 4  o 96.742  28.965 26.909    16.199  40.375    23.381  14.480    22.464  116.887 34.755 85.790  33.595 31.09708       48.33748 
1 1 1 -2  0  2  f 135.414 18.767 51.962    12.878  51.962    12.878  51.962    12.878  135.414 18.767 135.414 18.767 0.000000       0.000000 
1 1 1 -2  0  4  o 869.732 25.902 2037.53   120.538 2037.53   120.538 2037.53   120.538 869.732 25.902 869.732 25.902 0.000000       0.000000 
1 1 1 -2  0  6  o 225.410 26.553 142.098   30.921  142.098   30.921  142.098   30.921  225.410 26.553 225.410 26.553 0.000000       0.000000 
1 1 1 -2  0  8  o 454.552 19.889 557.962   48.258  557.962   48.258  557.962   48.258  454.552 19.889 454.552 19.889 -0.000000      0.000000 
1 1 1 -2  0  10 o 65.557  23.525 15.271    7.5615  15.271    7.5615  15.271    7.5615  65.557  23.525 65.557  23.525 0.000000       0.000000 
1 1 1 -2  0  12 o 113.609 21.054 38.062    11.529  38.062    11.529  38.062    11.529  113.609 21.054 113.609 21.054 0.000000       0.000000 
1 1 1 -2  0  14 o 146.359 19.575 60.643    14.590  60.643    14.590  60.643    14.590  146.359 19.575 146.359 19.575 0.000000       0.000000 
1 1 1 -2  0  16 o 46.032  26.420 7.2395    10.378  7.2395    10.378  7.2395    10.378  46.032  26.420 46.032  26.420 -0.000000      0.000000 
1 1 1 -2  0  18 o 224.074 19.400 137.932   22.904  137.932   22.904  137.932   22.904  224.074 19.400 224.074 19.400 -0.000000      0.000000 
1 1 1 -2  0  20 o 345.984 28.099 328.321   51.331  328.321   51.331  328.321   51.331  345.984 28.099 345.984 28.099 -0.000000      0.000000 
1 1 1 -2  0  22 o 157.051 36.634 76.240    26.818  76.240    26.818  76.240    26.818  157.051 36.634 157.051 36.634 0.000000       0.000000 
1 1 1 -2  0  24 o 138.970 27.641 57.666    18.289  57.666    18.289  57.666    18.289  138.970 27.641 138.970 27.641 0.000000       0.000000 
1 1 1 -2  0  26 o 271.239 31.221 206.039   43.839  206.039   43.839  206.039   43.839  271.239 31.221 271.239 31.221 -0.000000      0.000000 
1 1 1 -2  0  28 o 298.207 31.351 247.850   48.856  247.850   48.856  247.850   48.856  298.207 31.351 298.207 31.351 0.000000       0.000000 
1 1 1 -2  0  30 o 347.179 22.388 328.806   41.274  328.806   41.274  328.806   41.274  347.179 22.388 347.179 22.388 0.000000       0.000000 
1 1 1 -2  0  32 o 113.385 45.050 48.687    26.435  48.687    26.435  48.687    26.435  113.385 45.050 113.385 45.050 -0.000000      0.000000 
1 1 1 -2  0  34 o 110.279 45.946 47.536    27.133  47.536    27.133  47.536    27.133  110.279 45.946 110.279 45.946 -0.000000      0.000000 
1 1 1 -2  0  36 f 195.910 33.671 114.562   32.230  114.562   32.230  114.562   32.230  195.910 33.671 195.910 33.671 -0.000000      0.000000 
1 1 1 -2  0  38 f 65.627  40.600 10.948    28.265  10.948    28.265  10.948    28.265  65.627  40.600 65.627  40.600 0.000000       0.000000 
1 1 1 -2  0  40 o 90.094  55.078 30.693    50.617  30.693    50.617  30.693    50.617  90.094  55.078 90.094  55.078 0.000000       0.000000 
1 1 1 -2  0  42 o 83.827  49.212 29.467    37.323  29.467    37.323  29.467    37.323  83.827  49.212 83.827  49.212 -0.000000      0.000000 
1 1 1 -2  0  44 o 149.209 72.113 116.012   67.147  116.012   67.147  116.012   67.147  149.209 72.113 149.209 72.113 0.000000       0.000000 
1 1 1 -2  0  46 o 62.798  43.089 -15.5901  46.746  -15.5901  46.746  -15.5901  46.746  62.798  43.089 62.798  43.089 0.000000       0.000000 
1 1 1 -2  1  1  o 409.451 13.576 449.933   29.803  444.903   42.146  454.965   42.149  406.915 19.319 411.501 19.105 -4.586212      27.17023 
1 1 1 -2  1  3  o 616.686 15.417 1021.03   50.973  1012.03   72.083  1030.03   72.090  613.482 21.916 618.929 21.725 -5.447754      30.85938 
1 1 1 -2  1  5  o 281.318 18.190 213.514   27.288  218.880   38.612  208.160   38.569  283.961 25.639 276.769 26.309 7.192505       36.73583 
1 1 1 -2  1  7  o 413.206 13.618 458.377   30.167  450.945   42.662  465.810   42.665  409.526 19.431 416.242 19.118 -6.715179      27.25906 
1 1 1 -2  1  9  o 341.210 13.122 312.669   24.004  317.400   33.950  307.940   33.942  342.972 18.532 337.772 18.818 5.199738       26.41149 
1 1 1 -2  1  11 o 235.669 18.152 150.524   22.758  144.857   32.188  156.189   32.182  229.703 26.631 238.851 25.527 -9.147415      36.88966 
1 1 1 -2  1  13 o 302.171 12.996 245.664   21.054  230.425   29.742  260.971   29.808  291.412 19.143 310.413 17.989 -19.00034      26.26858 
1 1 1 -2  1  15 f 271.920 14.873 199.871   21.600  168.226   37.177  215.997   26.539  246.477 28.670 282.247 17.626 -35.76939      33.65455 
1 1 1 -2  1  17 o 201.263 15.403 109.718   16.494  113.170   20.358  103.121   28.138  203.913 18.835 192.741 28.054 11.17259       33.78977 
1 1 1 -2  1  19 o 328.894 15.614 290.887   27.531  301.200   47.615  285.708   33.744  332.579 26.936 325.097 19.450 7.482361       33.22374 
1 1 1 -2  1  21 o 191.740 20.591 100.127   20.835  100.127   20.835  0.0000    0.0000  191.740 20.591 ?       ?      0.000000       20.59090 
1 1 1 -2  1  23 o 206.309 14.359 114.941   15.783  122.416   22.430  107.609   22.214  212.249 19.945 198.694 21.179 13.55466       29.09214 
1 1 1 -2  1  25 o 79.914  25.197 17.070    12.061  47.151    21.420  3.1046    14.595  129.058 31.283 63.650  26.303 65.40791       40.87118 
1 1 1 -2  1  27 o 208.742 18.700 118.578   20.706  98.894    25.219  159.301   36.273  189.154 25.520 240.089 28.752 -50.93553      38.44391 
1 1 1 -2  1  29 o 219.457 17.154 130.989   20.022  127.756   28.452  134.161   28.182  214.942 25.166 220.569 24.231 -5.626312      34.93513 
1 1 1 -2  1  31 o 192.850 22.946 103.626   23.259  97.213    36.686  107.935   30.076  180.727 39.006 194.468 29.796 -13.74135      49.08430 
1 1 1 -2  1  33 o 572.270 22.875 915.248   70.183  809.987   97.987  1026.14   100.572 523.224 35.135 594.285 31.680 -71.06171      47.30801 
1 1 1 -2  1  35 o 74.346  30.630 8.4009    19.712  -41.8072  37.052  28.223    23.281  69.756  33.576 98.604  35.046 -28.84840      48.53424 
1 1 1 -2  1  37 o 236.783 19.117 159.995   24.062  144.018   35.032  174.264   33.106  214.121 31.454 241.188 26.015 -27.06711      40.81786 
1 1 1 -2  1  39 o 76.140  33.178 8.9697    25.429  1.6157    32.955  19.792    39.978  77.888  35.544 91.564  40.678 -13.67673      54.01967 
1 1 1 -2  1  41 o 66.274  30.728 -2.0529   26.030  22.582    53.708  -9.6154   29.758  88.728  42.072 65.985  31.296 22.74298       52.43583 
1 1 1 -2  1  43 o 80.576  37.024 21.744    36.587  -7.3557   58.081  40.888    47.109  77.335  38.223 89.221  41.357 -11.88592      56.31517 
1 1 1 -2  1  45 o 102.575 43.612 86.064    41.916  52.682    52.835  142.753   68.851  82.297  39.734 98.976  47.133 -16.67912      61.64667 
1 1 1 -2  1  47 o 71.191  35.134 57.575    48.442  31.718    75.670  75.530    63.057  65.046  33.349 70.703  35.650 -5.656288      48.81703 
1 1 1 -2  2  2  o 431.745 15.816 500.518   36.609  510.381   63.411  495.587   44.836  434.409 27.366 429.428 19.475 4.981232       33.58841 
1 1 1 -2  2  4  o 280.259 18.207 211.931   27.209  208.745   38.431  215.133   38.528  277.166 26.172 281.461 25.820 -4.294495      36.76480 
1 1 1 -2  2  6  o 349.065 13.120 327.077   24.554  307.295   34.702  346.910   34.747  337.533 19.256 358.815 18.121 -21.28232      26.44185 
1 1 1 -2  2  8  o 353.358 13.238 335.304   25.080  320.504   35.463  350.111   35.473  344.599 19.273 360.312 18.425 -15.71289      26.66283 
1 1 1 -2  2  10 o 381.035 15.512 390.517   31.689  383.873   38.814  403.796   54.875  376.949 19.270 385.282 26.731 -8.332886      32.95331 
1 1 1 -2  2  12 o 133.359 15.328 48.519    10.760  49.584    18.649  47.988    13.175  132.699 27.128 131.969 19.182 0.7298584      33.22478 
1 1 1 -2  2  14 o 433.180 16.102 506.172   37.395  511.899   64.671  503.296   45.835  432.023 28.073 431.253 19.824 0.7696533      34.36731 
1 1 1 -2  2  16 o 221.014 13.354 131.912   15.749  127.487   22.107  136.472   22.441  216.394 19.256 224.013 18.861 -7.619476      26.95438 
1 1 1 -2  2  18 o 530.802 14.746 757.698   41.964  716.763   59.261  798.869   59.431  515.346 21.449 544.243 20.368 -28.89673      29.57864 
1 1 1 -2  2  20 o 204.831 27.828 115.440   29.769  115.440   29.769  0.0000    0.0000  204.831 27.828 ?       ?      0.000000       27.82807 
1 1 1 -2  2  22 o 248.469 16.121 166.673   21.359  144.415   36.627  178.143   26.292  228.934 30.607 256.537 19.257 -27.60316      36.16133 
1 1 1 -2  2  24 o 438.519 20.457 518.651   48.096  488.675   68.370  548.017   67.672  423.072 30.344 448.663 28.278 -25.59070      41.47781 
1 1 1 -2  2  26 o 405.834 14.425 443.239   31.387  443.127   44.464  443.350   44.312  404.456 20.573 404.573 20.496 -0.1175232     29.04053 
1 1 1 -2  2  28 o 332.921 14.780 298.717   26.380  279.748   37.485  317.329   37.132  320.419 21.953 341.727 20.360 -21.30847      29.94086 
1 1 1 -2  2  30 f 654.379 16.559 1160.22   58.095  1103.91   82.159  1216.54   82.159  634.510 24.151 666.796 22.982 -32.28601      33.33875 
1 1 1 -2  2  32 o 166.639 25.202 79.089    21.812  62.589    34.451  90.128    28.179  142.529 42.143 175.647 31.060 -33.11827      52.35202 
1 1 1 -2  2  34 o 115.688 32.890 41.024    21.366  43.038    37.319  40.042    26.059  119.737 44.122 114.239 37.142 5.498619       57.67356 
1 1 1 -2  2  36 f 232.884 22.465 156.745   27.701  149.942   33.701  170.914   48.637  222.653 28.915 224.967 41.866 -2.313873      50.88044 
1 1 1 -2  2  38 o 258.624 22.578 198.232   30.993  182.861   37.821  229.652   54.074  239.902 30.066 253.098 41.273 -13.19559      51.06252 
1 1 1 -2  2  40 o 219.687 23.319 150.636   27.045  108.433   40.372  184.995   36.427  153.937 45.645 233.943 29.713 -80.00658      54.46461 
1 1 1 -2  2  42 f 77.030  34.641 14.924    29.947  58.323    54.787  -3.5674   35.762  98.234  45.200 71.482  34.021 26.75136       56.57250 
1 1 1 -2  2  44 o 92.121  38.250 45.845    31.078  57.588    46.454  36.331    41.814  91.426  41.902 83.618  38.831 7.807816       57.12827 
1 1 1 -2  2  46 o 59.110  29.184 -8.7087   33.553  -67.5508  54.321  27.590    42.665  57.550  29.410 70.625  34.464 -13.07491      45.30704 
1 1 1 -2  3  1  o 1450.40 26.151 5667.49   203.353 5717.68   287.585 5617.29   287.584 1453.22 36.912 1440.28 37.243 12.94189       52.43592 
1 1 1 -2  3  3  o 1433.68 29.784 5547.54   228.929 5772.87   396.570 5434.92   280.361 1453.08 50.905 1416.48 36.918 36.59497       62.88280 
1 1 1 -2  3  5  o 672.989 16.032 1216.76   57.845  1201.72   81.798  1231.80   81.813  668.068 22.838 676.413 22.560 -8.344604      32.10157 
1 1 1 -2  3  7  o 179.409 12.516 86.847    11.963  87.607    16.912  86.085    16.924  179.605 17.798 177.998 17.981 1.606384       25.29974 
1 1 1 -2  3  9  o 446.050 16.124 535.346   38.558  518.411   47.256  569.078   66.695  438.484 20.102 457.503 27.316 -19.01877      33.91507 
1 1 1 -2  3  11 o 122.607 15.475 41.116    9.9455  38.944    17.772  42.106    12.001  117.317 28.531 123.552 18.702 -6.234695      34.11398 
1 1 1 -2  3  13 o 316.141 14.942 269.324   25.325  240.218   43.677  284.066   31.084  295.420 27.907 323.813 17.976 -28.39279      33.19527 
1 1 1 -2  3  15 o 390.456 15.761 410.892   32.993  422.634   57.430  405.108   40.309  392.947 27.433 386.665 19.507 6.281342       33.66121 
1 1 1 -2  3  17 o 527.921 16.734 750.362   47.362  794.383   58.097  663.130   81.782  542.686 19.968 492.726 31.118 49.96014       36.97398 
1 1 1 -2  3  19 o 665.351 18.124 1191.05   64.649  1127.23   79.191  1318.57   111.941 646.586 22.844 697.873 29.919 -51.28693      37.64303 
1 1 1 -2  3  21 f 85.191  20.298 20.325    9.1391  36.051    13.612  7.4167    12.332  113.610 23.133 64.963  25.043 48.64780       34.09259 
1 1 1 -2  3  23 o 250.500 20.183 170.201   26.876  0.0000    0.0000  170.201   26.876  ?       ?      250.500 20.183 0.000000       20.18318 
1 1 1 -2  3  25 o 323.415 16.632 282.457   28.741  266.688   35.644  311.765   48.594  313.481 21.335 337.870 27.053 -24.38925      34.45383 
1 1 1 -2  3  27 o 61.347  25.297 3.1223    13.460  10.714    16.027  -15.0524  24.798  74.995  28.638 67.844  30.911 7.151497       42.13817 
1 1 1 -2  3  29 o 739.805 24.784 1496.05   98.301  1483.77   138.919 1508.37   139.120 729.370 35.526 735.591 35.276 -6.221130      50.06470 
1 1 1 -2  3  31 o 751.201 17.553 1538.28   70.691  1495.55   99.819  1581.27   100.127 734.086 25.363 755.473 24.721 -21.38770      35.41731 
1 1 1 -2  3  33 o 267.045 24.568 202.512   34.779  0.0000    0.0000  202.512   34.779  ?       ?      267.045 24.568 0.000000       24.56774 
1 1 1 -2  3  35 o 295.089 17.694 243.130   27.864  255.711   40.331  231.642   38.540  296.316 25.640 281.812 25.795 14.50400       36.36958 
1 1 1 -2  3  37 o 295.437 26.661 263.190   41.773  263.190   41.773  0.0000    0.0000  295.437 26.661 ?       ?      0.000000       26.66056 
1 1 1 -2  3  39 o 140.689 31.210 67.330    22.925  25.334    32.864  107.137   31.996  91.265  38.702 173.245 35.638 -81.98017      52.61088 
1 1 1 -2  3  41 o 62.747  30.167 -17.4500  29.700  0.0000    0.0000  -17.4500  29.700  ?       ?      62.747  30.167 0.000000       30.16688 
1 1 1 -2  3  43 o 85.066  35.847 30.637    27.911  1.9352    42.210  52.934    37.205  74.504  35.856 97.672  41.286 -23.16809      54.68216 
1 1 1 -2  3  45 o 85.546  39.194 53.702    40.595  68.400    49.882  24.875    69.857  87.024  41.048 75.154  37.847 11.87022       55.83293 
1 1 1 -2  4  2  o 1081.51 24.115 3152.56   139.824 3158.61   242.211 3149.53   171.239 1076.65 41.961 1079.52 29.587 -2.863159      51.34317 
1 1 1 -2  4  4  f 784.404 17.268 1654.45   72.619  1613.36   102.695 1695.54   102.703 773.351 24.769 792.925 24.159 -19.57440      34.59988 
1 1 1 -2  4  6  o 191.750 12.633 99.180    12.915  102.899   18.256  95.452    18.273  194.764 17.676 187.424 18.423 7.339447       25.53119 
1 1 1 -2  4  8  o 202.569 12.288 110.658   13.282  110.561   15.336  110.950   26.563  202.274 14.233 200.932 25.213 1.342636       28.95315 
1 1 1 -2  4  10 o 137.048 14.970 51.167    10.821  47.990    18.784  52.745    13.238  130.409 27.720 138.642 18.253 -8.232803      33.18971 
1 1 1 -2  4  12 o 301.124 15.008 244.325   24.230  259.435   42.064  236.822   29.641  307.744 25.731 295.449 18.811 12.29526       31.87362 
1 1 1 -2  4  14 o 650.815 15.863 1141.43   55.350  1110.51   78.258  1172.39   78.296  640.144 22.802 657.923 22.197 -17.77954      31.82224 
1 1 1 -2  4  16 f 675.462 18.387 1229.41   66.588  1166.23   81.420  1357.02   115.712 656.890 23.119 706.436 30.552 -49.54590      38.31292 
1 1 1 -2  4  18 o 489.932 16.700 645.407   43.866  613.750   53.707  708.848   76.028  477.346 20.986 511.330 27.838 -33.98343      34.86222 
1 1 1 -2  4  20 o 344.143 13.679 318.085   25.239  297.957   35.576  338.482   35.812  332.113 20.074 354.198 18.927 -22.08493      27.59020 
1 1 1 -2  4  22 o 639.458 22.624 1103.02   77.561  0.0000    0.0000  1103.02   77.561  ?       ?      639.458 22.624 0.000000       22.62358 
1 1 1 -2  4  24 o 297.468 14.571 238.003   23.239  241.145   33.524  235.097   32.242  298.146 21.109 294.456 20.553 3.689789       29.46220 
1 1 1 -2  4  26 o 326.241 14.682 286.534   25.679  276.560   36.916  295.884   35.744  318.987 21.715 330.274 20.285 -11.28635      29.71568 
1 1 1 -2  4  28 o 368.983 17.470 368.063   34.560  362.943   42.259  378.402   60.051  364.959 21.695 369.780 30.564 -4.821136      37.48158 
1 1 1 -2  4  30 o 212.914 19.350 124.605   21.847  118.209   39.786  127.366   26.140  200.413 38.427 214.163 23.134 -13.74985      44.85291 
1 1 1 -2  4  32 o 174.691 22.591 86.160    20.663  129.611   39.322  69.586    24.286  207.431 36.701 153.558 30.574 53.87299       47.76741 
1 1 1 -2  4  34 f 303.623 16.610 255.151   26.935  248.757   38.587  261.227   37.616  294.287 24.685 302.652 23.363 -8.365143      33.98808 
1 1 1 -2  4  36 f 215.721 23.755 136.255   27.019  141.398   33.390  126.502   45.983  214.870 29.786 187.074 46.136 27.79610       54.91622 
1 1 1 -2  4  38 o 91.198  33.238 26.703    21.096  -8.7365   31.075  56.997    28.730  72.256  33.527 124.069 38.854 -51.81344      51.31915 
1 1 1 -2  4  40 o 87.686  35.779 26.904    26.576  17.827    47.695  30.991    32.004  88.331  41.170 91.543  38.471 -3.211372      56.34714 
1 1 1 -2  4  42 o 61.352  29.532 -16.4535  28.670  -76.8294  51.128  11.237    34.626  63.902  32.206 77.159  35.657 -13.25705      48.04794 
1 1 1 -2  4  44 o 92.983  38.354 48.089    30.953  51.087    48.055  45.964    40.465  87.301  40.897 87.180  39.630 0.1208801      56.94822 
1 1 1 -2  4  46 o 63.692  31.859 0.7221    45.504  -57.9496  70.501  42.616    59.574  61.411  31.532 71.288  35.772 -9.876541      47.68530 
1 1 1 -2  5  1  o 650.433 18.318 1138.92   63.879  1081.20   78.231  1254.39   110.654 632.955 23.054 680.097 30.348 -47.14240      38.11106 
1 1 1 -2  5  3  o 263.488 14.767 187.241   20.776  174.209   25.432  213.391   36.025  253.625 18.838 280.001 24.237 -26.37610      30.69675 
1 1 1 -2  5  5  o 395.072 19.183 420.721   40.631  420.721   40.631  0.0000    0.0000  395.072 19.183 ?       ?      0.000000       19.18295 
1 1 1 -2  5  7  f 537.375 17.050 778.064   49.122  780.453   60.158  773.284   85.095  537.515 20.875 532.096 29.951 5.418945       36.50805 
1 1 1 -2  5  9  o 404.974 13.680 441.343   29.702  446.959   34.289  424.462   59.448  407.293 15.703 393.690 28.355 13.60306       32.41277 
1 1 1 -2  5  11 o 153.557 27.320 66.079    21.667  0.0000    0.0000  66.079    21.667  ?       ?      153.557 27.320 0.000000       27.31986 
1 1 1 -2  5  13 o 660.903 15.919 1176.54   56.406  1169.12   79.760  1183.95   79.779  657.208 22.636 661.403 22.499 -4.195190      31.91540 
1 1 1 -2  5  15 o 251.411 15.148 170.601   20.323  160.985   24.739  190.557   35.639  243.695 19.088 264.216 25.475 -20.52097      31.83247 
1 1 1 -2  5  17 o 849.900 18.048 1942.91   82.239  1853.13   116.218 2032.95   116.390 828.484 26.165 868.018 25.010 -39.53387      36.19534 
1 1 1 -2  5  19 o 292.542 13.447 229.816   21.090  224.893   29.838  234.732   29.813  288.473 19.406 294.795 18.964 -6.322266      27.13328 
1 1 1 -2  5  21 o 133.388 18.704 48.813    13.008  61.517    22.082  42.062    16.097  148.301 28.812 122.588 25.330 25.71333       38.36309 
1 1 1 -2  5  23 o 231.686 14.432 144.892   17.837  146.514   25.662  143.376   24.811  232.122 20.843 229.678 20.360 2.444366       29.13711 
1 1 1 -2  5  25 o 315.222 16.665 268.466   28.063  229.220   48.983  287.641   34.239  287.966 32.283 325.823 19.693 -37.85669      37.81565 
1 1 1 -2  5  27 o 90.457  28.903 21.977    15.830  17.611    19.031  31.778    28.516  87.327  31.609 111.864 38.864 -24.53630      50.09518 
1 1 1 -2  5  29 o 127.507 27.874 46.588    18.524  75.356    24.062  4.7370    29.022  162.823 28.608 86.713  36.548 76.11003       46.41351 
1 1 1 -2  5  31 o 392.840 17.396 421.944   36.638  406.635   65.282  428.984   44.267  375.284 32.775 393.815 21.042 -18.53091      38.94804 
1 1 1 -2  5  33 o 131.465 26.630 50.951    18.126  17.135    33.302  65.186    21.607  96.812  39.840 148.412 28.186 -51.59946      48.80228 
1 1 1 -2  5  35 o 70.621  28.519 8.9592    16.684  10.017    23.105  7.8067    24.118  79.304  32.959 78.566  33.227 0.7377243      46.80060 
1 1 1 -2  5  37 o 178.817 28.016 99.292    25.976  73.078    34.047  135.806   40.183  140.380 41.984 197.495 39.332 -57.11456      57.53025 
1 1 1 -2  5  39 o 95.299  34.247 32.689    22.290  37.990    46.609  31.118    25.380  99.794  44.148 93.323  35.941 6.470825       56.92789 
1 1 1 -2  5  41 o 65.414  30.079 -0.7451   24.206  -69.7491  49.988  20.392    27.666  65.575  32.886 81.323  35.021 -15.74810      48.04133 
1 1 1 -2  5  43 o 123.830 41.819 79.772    32.961  95.945    61.689  73.310    38.993  103.532 47.756 109.399 43.803 -5.867271      64.80224 
1 1 1 -2  5  45 o 56.015  27.663 -19.5937  30.209  28.362    46.450  -54.7430  39.767  73.954  36.060 54.578  27.614 19.37581       45.41877 
1 1 1 -2  6  2  f 251.290 12.795 170.203   17.181  171.154   24.288  169.250   24.308  251.305 18.149 249.876 18.271 1.428787       25.75306 
1 1 1 -2  6  4  o 102.242 13.372 28.590    7.1541  33.016    10.143  24.209    10.092  109.246 17.940 92.848  20.791 16.39866       27.46144 
1 1 1 -2  6  6  o 419.917 13.762 474.470   30.982  464.978   43.793  483.982   43.837  414.876 19.689 423.330 19.315 -8.454285      27.58103 
1 1 1 -2  6  8  o 433.483 13.854 505.740   32.197  519.812   45.552  491.691   45.515  438.634 19.370 426.511 19.905 12.12299       27.77400 
1 1 1 -2  6  10 o 306.352 14.996 252.713   24.630  262.945   30.160  232.229   42.675  311.655 18.129 290.857 27.701 20.79755       33.10591 
1 1 1 -2  6  12 f 508.243 14.428 694.781   39.315  692.603   45.384  701.330   78.701  507.157 16.691 507.233 29.061 -0.7595825E-01 33.51353 
1 1 1 -2  6  14 o 241.518 18.554 157.939   23.841  157.939   23.841  0.0000    0.0000  241.518 18.554 ?       ?      0.000000       18.55420 
1 1 1 -2  6  16 o 371.375 13.646 370.370   27.169  355.910   38.301  385.016   38.546  363.171 19.745 377.849 19.090 -14.67850      27.46429 
1 1 1 -2  6  18 o 142.179 15.062 54.910    11.307  52.911    15.942  56.933    16.039  138.460 22.228 143.870 21.449 -5.410141      30.88885 
1 1 1 -2  6  20 o 257.118 15.759 178.371   21.619  195.501   37.405  169.779   26.491  267.749 26.401 250.331 19.903 17.41801       33.06267 
1 1 1 -2  6  22 o 207.148 17.295 116.309   19.032  83.314    32.835  133.003   23.356  171.503 36.812 221.247 19.903 -49.74463      41.84762 
1 1 1 -2  6  24 o 499.251 15.022 670.785   40.208  637.120   56.898  704.367   56.827  485.501 21.859 510.688 20.755 -25.18677      30.14317 
1 1 1 -2  6  26 o 148.272 19.425 60.433    15.070  46.726    21.585  73.469    21.050  128.074 31.624 162.591 24.944 -34.51759      40.27805 
1 1 1 -2  6  28 o 443.450 17.425 532.970   41.427  521.791   50.801  555.163   71.577  437.473 21.660 446.887 30.049 -9.414398      37.04183 
1 1 1 -2  6  30 o 75.094  28.380 12.090    15.638  -11.3474  20.587  44.059    24.044  61.712  28.136 122.084 34.954 -60.37149      44.87089 
1 1 1 -2  6  32 o 92.898  27.278 25.185    14.479  26.870    21.947  23.887    19.266  98.120  34.094 92.859  31.962 5.260521       46.73331 
1 1 1 -2  6  34 o 327.893 23.035 307.500   40.238  265.142   59.384  343.455   54.711  287.804 39.530 338.925 30.434 -51.12054      49.88838 
1 1 1 -2  6  36 o 54.802  25.046 -7.3211   16.440  1.7337    31.442  -10.7281  19.287  80.549  35.912 57.454  26.572 23.09497       44.67357 
1 1 1 -2  6  38 o 125.851 42.546 65.027    34.116  58.463    46.180  72.914    50.620  114.831 47.045 122.620 49.621 -7.789482      68.37751 
1 1 1 -2  6  40 o 85.448  31.905 25.451    19.639  19.782    31.809  28.942    24.966  83.821  36.800 89.221  35.267 -5.399902      50.97060 
1 1 1 -2  6  42 o 94.266  41.020 43.791    38.754  56.006    59.785  34.938    50.896  95.973  45.167 89.501  41.979 6.471909       61.66278 
1 1 1 -2  6  44 o 124.486 40.384 84.027    30.814  50.525    49.648  105.016   39.298  84.588  40.208 124.538 45.369 -39.95032      60.62231 
1 1 1 -2  7  1  o 974.889 22.627 2573.45   118.266 2552.43   144.845 2615.48   204.846 968.385 27.899 973.082 39.265 -4.697083      48.16737 
1 1 1 -2  7  3  o 455.447 16.163 558.917   39.466  590.926   68.493  543.008   48.288  465.253 27.582 448.292 20.091 16.96130       34.12373 
1 1 1 -2  7  5  o 336.436 13.203 304.458   23.814  314.436   33.757  294.572   33.600  340.846 18.543 329.778 19.086 11.06815       26.61020 
1 1 1 -2  7  7  f 510.169 20.653 703.151   56.489  0.0000    0.0000  703.151   56.489  ?       ?      510.169 20.653 0.000000       20.65274 
1 1 1 -2  7  9  o 429.060 13.782 494.965   31.704  517.276   44.950  472.879   44.722  438.017 19.141 418.698 19.923 19.31882       27.62788 
1 1 1 -2  7  11 o 250.680 18.694 170.132   24.943  158.043   35.401  182.051   35.150  240.027 28.038 258.264 25.728 -18.23767      38.05363 
1 1 1 -2  7  13 o 660.767 22.671 1176.29   80.314  1176.29   80.314  0.0000    0.0000  660.767 22.671 ?       ?      0.000000       22.67102 
1 1 1 -2  7  15 o 749.833 18.922 1511.88   76.068  1414.89   92.987  1708.09   132.258 724.710 23.932 794.927 31.033 -70.21704      39.18938 
1 1 1 -2  7  17 o 415.903 13.832 464.489   30.842  437.296   43.163  492.856   44.085  403.167 19.969 428.071 19.209 -24.90390      27.70834 
1 1 1 -2  7  19 o 658.903 16.087 1167.13   56.827  1135.15   80.388  1199.09   80.344  648.830 23.109 666.961 22.469 -18.13031      32.23197 
1 1 1 -2  7  21 o 565.223 17.716 860.085   53.685  816.917   93.206  881.516   65.673  547.347 31.900 571.656 21.428 -24.30884      38.42905 
1 1 1 -2  7  23 o 412.973 16.628 459.283   36.816  418.824   44.908  542.217   64.295  393.207 21.383 446.255 27.000 -53.04791      34.44187 
1 1 1 -2  7  25 o 230.214 15.683 143.489   19.241  144.892   27.009  142.043   27.417  230.223 22.156 227.806 22.753 2.417328       31.75775 
1 1 1 -2  7  27 o 202.454 20.247 112.467   21.682  142.607   27.819  65.829    34.606  227.475 23.132 149.936 41.591 77.53947       47.59148 
1 1 1 -2  7  29 o 222.016 16.795 134.900   19.843  165.002   28.151  105.177   27.974  244.068 21.742 192.270 27.957 51.79814       35.41578 
1 1 1 -2  7  31 o 296.405 15.894 240.869   25.165  245.504   37.199  236.958   34.172  295.307 23.695 291.014 22.066 4.292969       32.37882 
1 1 1 -2  7  33 o 125.069 39.639 50.101    29.819  0.0000    0.0000  50.101    29.819  ?       ?      125.069 39.639 0.000000       39.63866 
1 1 1 -2  7  35 o 298.768 19.817 253.909   31.562  257.369   55.987  252.297   38.212  280.388 38.241 293.417 24.516 -13.02960      45.42493 
1 1 1 -2  7  37 o 114.213 41.261 49.622    32.405  41.290    47.494  56.880    44.324  107.543 46.090 117.291 46.791 -9.748016      65.67888 
1 1 1 -2  7  39 o 144.406 29.927 70.932    22.408  102.999   34.078  46.503    29.743  161.875 39.593 106.693 39.377 55.18188       55.84059 
1 1 1 -2  7  41 o 68.829  30.736 6.3803    23.130  -17.1334  34.960  24.686    30.847  67.371  32.475 85.026  36.797 -17.65489      49.07790 
1 1 1 -2  7  43 o 99.654  36.914 48.441    26.187  62.612    55.506  44.384    29.701  91.882  43.327 92.936  37.862 -1.053848      57.53902 
1 1 1 -2  7  45 o 63.085  31.130 -1.0303   37.988  37.373    56.818  -32.0727  51.084  72.767  36.273 61.192  30.997 11.57513       47.71371 
1 1 1 -2  8  2  o 514.877 14.528 712.912   40.103  741.786   56.770  684.153   56.657  524.422 20.191 503.513 20.988 20.90894       29.12386 
1 1 1 -2  8  4  o 641.152 31.835 1118.14   109.432 0.0000    0.0000  1118.14   109.432 ?       ?      641.152 31.835 0.000000       31.83543 
1 1 1 -2  8  6  o 321.258 15.154 277.492   26.100  317.089   45.489  258.057   31.868  341.643 25.008 308.917 19.339 32.72604       31.61381 
1 1 1 -2  8  8  o 316.898 15.351 269.920   26.081  268.964   45.753  270.380   31.743  314.259 27.431 316.407 18.797 -2.147858      33.25298 
1 1 1 -2  8  10 o 898.249 18.581 2169.82   89.483  2199.45   126.564 2140.21   126.532 902.947 26.144 890.628 26.499 12.31891       37.22547 
1 1 1 -2  8  12 o 671.343 18.379 1211.54   66.151  1139.54   80.834  1357.54   115.104 650.554 23.176 708.954 30.283 -58.40027      38.13398 
1 1 1 -2  8  14 o 516.772 14.317 717.067   39.667  693.146   45.641  790.915   80.193  507.923 16.761 540.796 27.752 -32.87363      32.42072 
1 1 1 -2  8  16 o 969.396 22.469 2530.59   116.776 2459.78   142.865 2673.13   202.706 954.560 27.916 992.104 38.110 -37.54388      47.24049 
1 1 1 -2  8  18 o 429.065 16.341 494.954   37.591  482.881   45.873  519.633   65.586  423.470 20.205 437.494 28.111 -14.02390      34.61903 
1 1 1 -2  8  20 o 219.796 16.594 130.714   19.410  129.389   32.614  131.440   24.154  216.662 28.790 219.840 20.738 -3.178391      35.48161 
1 1 1 -2  8  22 o 318.650 16.674 274.151   28.387  268.025   34.974  285.980   48.595  314.419 20.866 323.341 28.318 -8.921814      35.17532 
1 1 1 -2  8  24 o 381.127 14.638 391.178   29.910  379.818   42.246  402.597   42.353  374.040 21.154 385.254 20.580 -11.21387      29.51266 
1 1 1 -2  8  26 o 196.241 24.140 106.708   24.862  127.321   36.564  88.983    33.906  211.804 33.299 175.189 37.246 36.61432       49.96084 
1 1 1 -2  8  28 o 282.500 15.051 217.044   22.714  238.209   32.330  196.415   31.918  294.184 20.629 266.304 22.568 27.88025       30.57533 
1 1 1 -2  8  30 o 165.464 20.468 76.697    17.770  82.052    27.882  73.034    23.060  166.269 32.443 158.484 28.172 7.784805       42.96789 
1 1 1 -2  8  32 o 223.975 25.701 144.830   30.303  196.493   48.921  112.665   38.601  252.134 37.318 188.391 39.481 63.74283       54.32600 
1 1 1 -2  8  34 o 80.245  31.582 14.543    19.941  25.614    26.713  0.6088    29.968  96.543  36.947 79.851  35.359 16.69196       51.14066 
1 1 1 -2  8  36 o 79.181  32.311 14.288    21.676  0.0000    0.0000  14.288    21.676  ?       ?      79.181  32.311 0.000000       32.31127 
1 1 1 -2  8  38 o 64.212  29.126 -1.9759   21.704  -0.0634   28.976  -4.4203   32.759  72.864  33.282 73.927  34.344 -1.062920      47.82428 
1 1 1 -2  8  40 o 47.774  23.858 -50.3458  25.059  4.2095    33.008  -124.5711 38.501  75.999  35.012 49.137  25.082 26.86189       43.06868 
1 1 1 -2  8  42 o 87.667  39.104 34.939    37.328  1.5482    54.673  64.094    51.088  78.784  38.567 98.424  44.660 -19.63976      59.00748 
1 1 1 -2  8  44 o 91.463  38.735 55.583    32.851  18.121    76.527  64.045    36.373  74.227  37.637 93.651  40.241 -19.42445      55.09868 
1 1 1 -2  9  1  o 524.997 16.942 740.860   47.687  776.843   82.754  722.971   58.349  535.440 28.935 518.242 21.001 17.19763       35.75271 
1 1 1 -2  9  3  o 704.618 18.980 1335.38   71.700  1363.75   87.860  1278.82   124.057 711.501 23.033 687.067 33.678 24.43378       40.80130 
1 1 1 -2  9  5  o 192.845 12.994 100.285   13.357  105.101   19.092  95.669    18.693  196.887 18.296 187.699 18.829 9.188675       26.25403 
1 1 1 -2  9  7  o 696.396 18.902 1303.75   70.574  1263.60   86.401  1384.23   122.336 685.054 23.525 715.689 31.883 -30.63550      39.62230 
1 1 1 -2  9  9  o 511.947 16.417 703.991   45.059  766.105   55.326  581.633   77.651  533.846 19.330 463.042 31.466 70.80392       36.92940 
1 1 1 -2  9  11 o 607.366 15.221 990.589   49.564  999.621   70.148  981.584   70.040  609.607 21.463 604.067 21.627 5.540588       30.46942 
1 1 1 -2  9  13 o 601.673 15.435 972.286   49.790  1025.56   70.451  919.128   70.377  617.403 21.284 584.369 22.463 33.03394       30.94494 
1 1 1 -2  9  15 o 134.294 18.185 49.374    12.756  41.158    15.030  70.531    24.120  121.495 23.926 159.093 29.360 -37.59791      37.87444 
1 1 1 -2  9  17 o 599.020 17.878 965.351   57.415  949.836   70.078  997.032   100.139 593.636 22.019 605.841 30.933 -12.20520      37.96933 
1 1 1 -2  9  19 o 349.823 13.973 328.901   26.207  322.909   30.194  347.200   52.767  346.462 16.255 357.010 27.787 -10.54761      32.19253 
1 1 1 -2  9  21 o 259.361 16.951 181.919   23.441  192.049   28.467  160.584   41.312  266.053 20.106 240.560 32.894 25.49341       38.55197 
1 1 1 -2  9  23 o 277.984 14.815 208.718   22.000  221.136   31.214  196.459   31.013  285.191 20.552 268.491 21.731 16.70041       29.91050 
1 1 1 -2  9  25 o 375.556 20.833 384.705   41.782  379.736   58.622  389.835   59.566  369.816 29.820 374.693 29.901 -4.877380      42.22919 
1 1 1 -2  9  27 o 97.942  25.038 27.524    13.198  70.960    19.238  -11.0914  18.139  159.003 23.255 57.522  26.297 101.4804       35.10472 
1 1 1 -2  9  29 o 62.478  24.880 6.2264    12.511  -19.2039  20.499  21.320    15.793  56.595  26.576 87.832  28.932 -31.23723      39.28496 
1 1 1 -2  9  31 o 140.660 26.070 57.888    18.936  77.209    37.560  51.304    21.927  153.637 43.584 129.955 31.744 23.68227       53.91894 
1 1 1 -2  9  33 o 159.851 27.209 76.292    22.483  35.131    48.294  87.681    25.403  115.081 47.724 170.605 28.798 -55.52470      55.74003 
1 1 1 -2  9  35 o 65.254  29.675 -5.8953   22.718  24.929    36.627  -25.1673  28.962  97.933  41.157 63.802  30.434 34.13129       51.18694 
1 1 1 -2  9  37 o 94.889  35.032 30.736    23.546  26.323    33.773  34.910    32.843  93.396  39.399 99.547  40.080 -6.151405      56.20211 
1 1 1 -2  9  39 o 82.184  36.070 15.508    30.536  2.0393    51.603  22.766    37.881  86.304  41.014 89.542  39.697 -3.238541      57.07932 
1 1 1 -2  9  41 o 77.528  32.724 18.893    23.321  58.642    39.332  -2.6576   28.960  104.683 43.212 67.642  31.707 37.04080       53.59693 
1 1 1 -2  9  43 o 85.807  38.103 42.398    35.036  0.0000    0.0000  42.398    35.036  ?       ?      85.807  38.103 0.000000       38.10281 
1 1 1 -2  10 2  o 377.606 19.323 384.195   38.988  396.547   55.305  371.990   54.973  382.710 27.130 370.504 27.879 12.20593       38.90061 
1 1 1 -2  10 4  o 771.097 19.887 1598.19   82.214  1610.16   100.698 1574.25   142.381 773.470 24.283 763.189 34.797 10.28088       42.43276 
1 1 1 -2  10 6  o 436.112 16.176 510.756   37.822  513.978   46.383  504.362   65.339  437.291 19.784 431.653 28.392 5.638123       34.60529 
1 1 1 -2  10 8  o 322.179 19.065 279.935   32.785  297.652   46.451  262.349   46.279  331.377 26.364 310.726 28.084 20.65091       38.51948 
1 1 1 -2  10 10 o 801.165 20.312 1726.01   87.247  1703.25   106.822 1771.62   151.212 795.217 25.055 809.226 34.854 -14.00818      42.92484 
1 1 1 -2  10 12 o 214.419 19.672 124.688   22.362  135.008   31.352  114.000   31.905  222.137 26.872 203.261 30.195 18.87587       40.42071 
1 1 1 -2  10 14 f 482.489 16.795 625.800   43.445  613.983   53.106  649.714   75.544  477.560 20.742 489.441 28.917 -11.88113      35.58704 
1 1 1 -2  10 16 o 316.273 13.759 268.729   23.331  269.588   26.890  266.111   46.925  316.266 15.909 312.382 28.327 3.884705       32.48865 
1 1 1 -2  10 18 o 474.808 16.940 606.656   43.121  606.656   43.121  0.0000    0.0000  474.808 16.940 ?       ?      0.000000       16.93965 
1 1 1 -2  10 20 o 384.777 14.205 398.208   29.303  375.049   33.510  473.458   60.405  373.178 16.749 416.864 27.176 -43.68573      31.92289 
1 1 1 -2  10 22 o 206.863 15.810 116.031   17.402  102.532   19.704  163.885   37.099  193.827 19.214 243.299 29.013 -49.47169      34.79881 
1 1 1 -2  10 24 o 391.087 16.960 414.111   35.561  405.571   43.269  431.884   62.423  385.467 21.016 394.342 29.745 -8.874786      36.42037 
1 1 1 -2  10 26 o 322.344 17.694 283.751   30.462  306.061   37.436  240.031   52.405  333.566 21.041 288.997 34.505 44.56927       40.41409 
1 1 1 -2  10 28 o 312.145 17.304 267.290   28.845  275.041   35.769  252.874   48.779  314.814 21.318 296.153 31.191 18.66086       37.77989 
1 1 1 -2  10 30 o 146.410 20.947 60.756    15.974  68.677    23.293  53.724    21.948  152.100 29.630 133.510 31.220 18.58914       43.04214 
1 1 1 -2  10 32 o 199.454 21.156 113.292   22.277  79.125    42.930  125.883   26.060  149.776 47.571 208.843 23.694 -59.06761      53.14507 
1 1 1 -2  10 34 o 197.595 20.710 113.048   21.614  148.171   36.023  93.291    27.017  216.235 32.043 172.344 30.349 43.89168       44.13365 
1 1 1 -2  10 36 o 120.561 36.464 52.220    25.576  33.943    34.352  74.951    38.311  100.497 40.804 134.782 45.088 -34.28503      60.81034 
1 1 1 -2  10 38 o 151.161 30.392 76.667    23.776  47.560    39.802  92.815    29.647  107.160 43.763 161.072 35.305 -53.91182      56.22832 
1 1 1 -2  10 40 o 109.594 36.461 49.132    25.059  30.262    62.811  52.704    27.329  93.097  44.522 111.392 38.077 -18.29459      58.58411 
1 1 1 -2  10 42 o 75.431  35.965 12.645    40.348  0.0000    0.0000  12.645    40.348  ?       ?      75.431  35.965 0.000000       35.96495 
1 1 1 -2  11 1  o 517.943 16.994 720.557   47.190  766.032   82.046  698.077   57.687  532.274 28.859 509.525 21.118 22.74936       35.76012 
1 1 1 -2  11 3  o 494.820 20.581 658.295   54.599  658.295   54.599  0.0000    0.0000  494.820 20.581 ?       ?      0.000000       20.58103 
1 1 1 -2  11 5  o 664.397 16.068 1185.53   57.234  1204.18   80.990  1166.93   80.891  668.989 22.581 658.526 22.912 10.46271       32.16897 
1 1 1 -2  11 7  o 446.236 16.314 534.896   39.030  563.757   47.896  477.848   67.339  457.913 19.510 419.667 30.129 38.24609       35.89430 
1 1 1 -2  11 9  o 430.983 16.245 499.036   37.535  468.589   64.790  514.418   46.051  415.581 29.266 437.349 19.640 -21.76797      35.24520 
1 1 1 -2  11 11 o 531.171 14.895 757.908   42.417  733.621   60.064  782.069   59.908  522.006 21.462 539.045 20.730 -17.03912      29.83851 
1 1 1 -2  11 13 o 821.215 20.626 1815.92   90.813  1781.39   157.162 1833.22   111.270 809.621 36.207 824.219 25.180 -14.59729      44.10234 
1 1 1 -2  11 15 o 827.947 17.869 1844.53   79.319  1811.52   112.049 1877.70   112.300 818.899 25.522 833.823 25.121 -14.92438      35.81065 
1 1 1 -2  11 17 o 428.281 14.307 493.105   32.852  499.333   37.836  474.029   66.219  430.786 16.382 416.905 29.823 13.88065       34.02634 
1 1 1 -2  11 19 f 617.274 15.823 1026.00   52.365  1050.51   60.457  952.385   104.774 624.180 18.066 589.328 33.297 34.85175       37.88263 
1 1 1 -2  11 21 o 306.937 20.340 256.315   33.282  263.529   47.806  249.530   46.363  308.881 29.215 300.516 29.143 8.364899       41.26524 
1 1 1 -2  11 23 o 305.928 17.288 254.450   28.239  238.731   34.392  286.979   49.474  295.040 21.899 321.011 29.062 -25.97067      36.38854 
1 1 1 -2  11 25 o 192.641 17.078 101.712   17.456  99.335    20.045  109.172   35.508  189.583 20.024 193.132 35.604 -3.548798      40.84884 
1 1 1 -2  11 27 o 73.290  30.665 4.6984    20.193  4.6984    20.193  0.0000    0.0000  73.290  30.665 ?       ?      0.000000       30.66513 
1 1 1 -2  11 29 o 257.727 15.318 182.235   21.071  182.583   24.085  181.099   43.499  257.046 17.582 246.534 33.800 10.51273       38.09948 
1 1 1 -2  11 31 o 274.310 23.161 215.157   33.744  0.0000    0.0000  215.157   33.744  ?       ?      274.310 23.161 0.000000       23.16141 
1 1 1 -2  11 33 o 218.404 18.912 135.887   21.926  154.471   33.315  121.687   29.122  225.276 28.202 199.928 27.932 25.34836       39.69278 
1 1 1 -2  11 35 o 101.993 30.589 34.117    18.055  27.249    30.186  37.942    22.529  95.328  38.409 105.564 34.545 -10.23672      51.65861 
1 1 1 -2  11 37 o 50.787  24.203 -17.0827  18.224  -11.5537  35.861  -19.0079  21.161  74.536  35.048 54.482  25.996 20.05325       43.63663 
1 1 1 -2  11 39 o 136.650 39.633 76.964    30.733  74.794    46.877  78.599    40.700  117.579 47.692 125.369 46.095 -7.789398      66.32695 
1 1 1 -2  11 41 o 104.896 42.695 63.962    37.724  109.440   70.371  45.623    44.687  104.824 49.228 91.257  41.546 13.56688       64.41651 
1 1 1 -2  12 2  o 480.355 14.316 619.580   36.869  618.840   52.171  620.319   52.110  479.661 20.287 480.238 20.239 -0.5769653     28.65653 
1 1 1 -2  12 4  o 663.993 16.117 1184.45   57.375  1182.09   81.129  1186.82   81.152  662.601 22.838 663.929 22.798 -1.328064      32.26973 
1 1 1 -2  12 6  o 391.129 13.965 410.796   29.284  410.275   41.399  411.318   41.428  390.038 19.863 390.536 19.851 -0.4988403     28.08247 
1 1 1 -2  12 8  o 498.730 16.957 668.559   45.339  677.169   78.418  664.236   55.569  499.744 29.398 496.773 20.864 2.971252       36.04905 
1 1 1 -2  12 10 o 354.991 13.874 338.467   26.405  337.648   37.520  339.272   37.167  353.648 19.869 354.531 19.630 -0.8825073     27.93078 
1 1 1 -2  12 12 o 1044.56 29.189 2952.53   163.467 2980.77   231.337 2924.37   231.018 1044.66 41.305 1034.57 41.650 10.09277       58.65818 
1 1 1 -2  12 14 o 692.623 19.055 1291.92   70.760  1309.94   86.863  1256.39   122.000 696.652 23.257 679.777 33.475 16.87445       40.76088 
1 1 1 -2  12 16 o 150.065 16.937 61.399    13.388  56.939    18.510  66.292    19.388  143.009 25.055 154.759 24.156 -11.75017      34.80344 
1 1 1 -2  12 18 o 474.489 17.082 607.221   43.453  595.935   53.151  629.967   75.457  469.302 21.125 479.555 29.492 -10.25262      36.27689 
1 1 1 -2  12 20 o 280.853 20.405 215.095   30.514  198.940   42.676  231.995   43.648  267.293 30.316 289.484 28.493 -22.19061      41.60410 
1 1 1 -2  12 22 o 462.466 14.581 578.194   36.152  595.310   41.905  528.376   71.490  468.653 16.678 434.797 30.869 33.85559       35.08630 
1 1 1 -2  12 24 f 68.322  25.711 9.8483    12.802  9.8483    12.802  0.0000    0.0000  68.322  25.711 ?       ?      0.000000       25.71074 
1 1 1 -2  12 26 o 364.054 14.532 360.265   28.364  363.121   33.119  352.403   54.942  364.589 16.943 351.595 29.417 12.99417       33.94761 
1 1 1 -2  12 28 o 153.129 22.788 66.805    18.138  62.796    21.479  76.771    33.865  146.098 28.445 156.137 40.211 -10.03952      49.25498 
1 1 1 -2  12 30 o 157.446 20.420 70.493    16.831  55.245    19.305  118.796   34.360  136.028 27.419 196.637 33.812 -60.60915      43.53152 
1 1 1 -2  12 32 o 220.902 21.881 141.293   25.573  134.323   31.898  153.835   42.788  209.573 29.181 215.346 38.472 -5.773209      48.28726 
1 1 1 -2  12 34 o 109.441 39.110 41.459    29.030  41.459    29.030  0.0000    0.0000  109.441 39.110 ?       ?      0.000000       39.10960 
1 1 1 -2  12 36 o 202.747 32.012 135.422   33.642  169.105   49.723  106.985   45.687  207.424 45.924 157.016 48.967 50.40778       67.13264 
1 1 1 -2  12 38 o 81.829  33.828 19.393    24.154  -49.5927  62.047  31.715    26.223  78.758  39.031 93.537  36.389 -14.77920      53.36242 
1 1 1 -2  12 40 o 90.851  38.807 37.074    33.471  91.175    64.271  16.941    39.207  106.016 48.846 80.718  37.523 25.29883       61.59441 
1 1 1 -2  13 1  o 869.810 21.309 2036.66   99.369  2133.01   172.226 1988.59   121.661 886.627 36.231 858.510 26.432 28.11676       44.84855 
1 1 1 -2  13 3  o 843.742 20.947 1916.23   94.757  1888.37   164.083 1930.18   116.067 834.049 36.695 845.951 25.591 -11.90234      44.73707 
1 1 1 -2  13 5  o 282.258 16.095 214.794   24.255  205.791   41.566  219.443   29.867  274.524 28.664 284.909 19.673 -10.38483      34.76627 
1 1 1 -2  13 7  o 347.094 15.841 323.780   29.479  355.890   51.194  307.851   36.056  362.110 26.555 337.607 20.010 24.50360       33.24999 
1 1 1 -2  13 9  o 334.823 16.107 301.385   28.914  303.815   50.350  300.190   35.319  333.988 28.388 333.326 19.853 0.6626587      34.64160 
1 1 1 -2  13 11 o 371.221 20.067 372.345   39.789  329.187   56.588  414.544   55.956  347.064 30.730 390.574 26.886 -43.51053      40.83115 
1 1 1 -2  13 13 o 243.619 16.826 160.525   21.842  149.808   40.569  164.900   25.919  232.173 33.566 246.520 19.777 -14.34630      38.95951 
1 1 1 -2  13 15 o 510.251 17.561 702.067   48.039  648.300   84.024  728.178   58.553  485.861 32.443 518.985 21.044 -33.12436      38.67047 
1 1 1 -2  13 17 o 576.752 17.916 898.971   55.398  878.753   95.315  909.286   68.077  564.608 31.615 578.884 21.935 -14.27606      38.47922 
1 1 1 -2  13 19 o 123.258 18.361 42.054    11.763  38.295    13.609  53.163    23.393  116.632 22.580 135.831 32.549 -19.19878      39.61385 
1 1 1 -2  13 21 o 277.151 13.998 208.142   20.733  192.887   23.862  255.135   41.880  266.136 16.810 303.147 26.021 -37.01056      30.97807 
1 1 1 -2  13 23 o 136.693 21.106 52.385    14.970  52.385    14.970  0.0000    0.0000  136.693 21.106 ?       ?      0.000000       21.10629 
1 1 1 -2  13 25 o 107.735 24.465 33.538    13.809  31.897    15.280  40.853    32.260  104.643 27.041 119.614 41.349 -14.97069      49.40549 
1 1 1 -2  13 27 f 112.277 41.567 34.520    33.195  0.0000    0.0000  34.520    33.195  ?       ?      112.277 41.567 0.000000       41.56693 
1 1 1 -2  13 29 o 128.678 24.553 48.642    16.321  41.286    18.359  76.364    35.640  116.479 29.397 151.422 42.282 -34.94291      51.49672 
1 1 1 -2  13 31 o 72.221  27.603 12.395    14.898  17.567    16.421  -11.6725  35.424  80.412  29.323 78.538  36.213 1.873909       46.59624 
1 1 1 -2  13 33 o 223.934 19.862 144.171   23.598  144.171   23.598  0.0000    0.0000  223.934 19.862 ?       ?      0.000000       19.86173 
1 1 1 -2  13 35 o 72.084  32.248 0.5004    25.588  -28.2560  35.664  31.008    36.734  69.429  33.294 100.260 41.604 -30.83100      53.28577 
1 1 1 -2  13 37 o 117.417 35.311 51.019    24.035  55.725    29.445  41.622    41.608  118.102 39.528 102.600 43.531 15.50226       58.79929 
1 1 1 -2  13 39 o 108.761 36.474 49.850    25.072  49.850    25.072  0.0000    0.0000  108.761 36.474 ?       ?      0.000000       36.47424 
1 1 1 -2  14 2  o 294.051 16.166 233.170   25.388  242.388   44.058  228.588   31.065  298.119 27.890 290.670 20.057 7.448578       34.35273 
1 1 1 -2  14 4  f 203.536 14.428 111.879   15.642  123.922   22.028  99.630    22.215  213.663 19.443 190.985 22.104 22.67798       29.43836 
1 1 1 -2  14 6  o 328.039 13.823 289.154   24.311  289.790   34.237  288.507   34.526  327.428 19.593 326.670 19.807 0.7575989      27.86093 
1 1 1 -2  14 8  o 504.021 17.055 683.748   46.086  709.103   56.606  633.897   79.373  512.808 20.589 482.142 30.868 30.66525       37.10466 
1 1 1 -2  14 10 o 96.602  20.723 26.147    10.411  22.675    14.723  29.619    14.724  91.157  27.687 102.621 26.558 -11.46342      38.36504 
1 1 1 -2  14 12 o 459.382 14.280 567.986   35.171  585.667   49.822  550.422   49.657  465.586 19.960 451.258 20.525 14.32794       28.62994 
1 1 1 -2  14 14 o 267.637 16.250 193.951   23.206  161.618   39.931  210.440   28.516  240.682 31.718 278.283 19.231 -37.60040      37.09292 
1 1 1 -2  14 16 o 155.354 18.507 66.265    15.111  59.538    26.255  69.597    18.479  143.691 34.514 158.438 22.377 -14.74710      41.13311 
1 1 1 -2  14 18 o 254.455 17.370 176.296   23.555  182.473   29.140  164.651   40.010  257.915 21.263 241.562 31.655 16.35301       38.13373 
1 1 1 -2  14 20 o 471.782 16.701 604.202   42.243  604.202   42.243  0.0000    0.0000  471.782 16.701 ?       ?      0.000000       16.70111 
1 1 1 -2  14 22 o 202.401 14.722 111.688   15.866  111.131   18.674  113.134   30.088  201.206 17.485 199.091 29.043 2.114914       33.90031 
1 1 1 -2  14 24 o 102.417 26.381 30.505    14.574  26.019    16.742  44.542    29.614  95.491  29.620 122.676 39.568 -27.18556      49.42657 
1 1 1 -2  14 26 o 194.429 22.638 106.955   23.156  71.587    28.438  176.555   39.893  152.886 35.393 245.364 31.019 -92.47792      47.06188 
1 1 1 -2  14 28 o 170.561 24.935 84.754    22.128  84.754    22.128  0.0000    0.0000  170.561 24.935 ?       ?      0.000000       24.93549 
1 1 1 -2  14 30 o 74.481  27.780 13.952    14.881  13.952    14.881  0.0000    0.0000  74.481  27.780 ?       ?      0.000000       27.77976 
1 1 1 -2  14 32 o 120.826 26.388 44.661    16.615  42.874    18.784  51.085    35.617  116.508 29.917 120.716 43.300 -4.207962      52.63058 
1 1 1 -2  14 34 o 123.825 38.701 54.893    28.521  46.770    37.450  66.111    44.010  113.325 43.654 127.525 47.732 -14.20004      64.68411 
1 1 1 -2  14 36 o 82.034  31.570 20.370    19.573  16.012    21.890  37.746    43.711  78.885  32.362 101.826 43.935 -22.94149      54.56770 
1 1 1 -2  15 1  o 469.998 14.654 594.262   36.924  595.877   51.939  592.611   52.503  469.820 20.620 468.485 20.903 1.334747       29.36218 
1 1 1 -2  15 3  o 192.542 17.203 100.660   17.572  98.852    21.551  104.245   30.351  190.100 21.525 193.504 30.245 -3.404053      37.12257 
1 1 1 -2  15 5  o 364.465 19.721 359.604   38.391  359.604   38.391  0.0000    0.0000  364.465 19.721 ?       ?      0.000000       19.72088 
1 1 1 -2  15 7  o 433.238 16.616 505.878   38.595  510.638   47.099  496.150   67.336  434.710 20.209 425.559 29.699 9.151154       35.92267 
1 1 1 -2  15 9  o 535.345 17.474 773.487   50.153  758.420   61.314  803.950   87.182  529.159 21.612 541.391 30.156 -12.23212      37.10076 
1 1 1 -2  15 11 o 200.340 14.967 108.800   15.959  96.789    22.641  120.662   22.500  187.404 23.018 210.126 20.222 -22.72113      30.63935 
1 1 1 -2  15 13 o 323.598 13.965 282.334   24.228  283.847   34.472  280.858   34.060  322.888 20.012 321.211 19.875 1.677338       28.20496 
1 1 1 -2  15 15 o 399.750 19.959 434.268   42.775  434.268   42.775  0.0000    0.0000  399.750 19.959 ?       ?      0.000000       19.95874 
1 1 1 -2  15 17 o 124.428 23.356 43.720    15.008  44.012    19.888  43.333    22.874  123.484 30.274 122.368 33.765 1.116180       45.34947 
1 1 1 -2  15 19 o 250.744 22.609 173.942   30.066  173.942   30.066  0.0000    0.0000  250.744 22.609 ?       ?      0.000000       22.60883 
1 1 1 -2  15 21 o 173.597 21.875 84.154    19.907  87.398    23.396  75.647    37.892  175.719 25.586 157.067 43.505 18.65173       50.47076 
1 1 1 -2  15 23 o 185.665 39.160 105.143   37.754  0.0000    0.0000  105.143   37.754  ?       ?      185.665 39.160 0.000000       39.16002 
1 1 1 -2  15 25 o 78.118  25.663 16.891    12.429  17.372    13.361  13.800    33.880  79.549  26.626 95.384  39.799 -15.83524      47.88440 
1 1 1 -2  15 27 o 231.714 16.907 149.202   20.858  133.715   23.493  206.856   45.328  217.561 20.379 261.022 33.137 -43.46069      38.90231 
1 1 1 -2  15 29 o 202.139 20.353 116.250   21.757  116.250   21.757  0.0000    0.0000  202.139 20.353 ?       ?      0.000000       20.35311 
1 1 1 -2  15 31 o 291.967 22.586 246.628   35.080  257.781   44.561  228.451   56.888  291.978 28.843 258.907 42.455 33.07053       51.32650 
1 1 1 -2  15 33 o 80.265  31.017 16.950    18.953  24.059    21.182  -11.5941  42.444  89.651  33.201 82.861  38.693 6.789902       50.98508 
1 1 1 -2  15 35 f 82.071  31.953 19.751    20.232  18.667    22.810  23.753    43.813  82.363  33.317 95.344  42.459 -12.98155      53.96958 
1 1 1 -2  16 2  o 233.624 16.562 147.995   20.610  125.650   25.319  191.882   35.484  214.098 22.389 264.363 25.346 -50.26585      33.81848 
1 1 1 -2  16 4  o 288.742 13.948 224.563   21.591  243.794   30.298  204.719   30.777  299.665 18.956 274.064 21.109 25.60104       28.37108 
1 1 1 -2  16 6  o 153.653 15.607 64.331    12.678  83.221    18.202  46.531    17.669  174.217 19.841 128.307 26.560 45.90996       33.15296 
1 1 1 -2  16 8  o 223.816 16.720 136.064   19.918  123.084   34.905  142.332   24.255  209.075 32.171 228.310 20.018 -19.23463      37.89036 
1 1 1 -2  16 10 o 142.658 19.133 56.115    14.265  47.914    24.754  60.193    17.455  129.114 34.919 147.018 22.890 -17.90413      41.75244 
1 1 1 -2  16 12 o 301.320 14.284 245.079   23.076  255.766   33.538  235.472   31.800  306.030 20.560 293.647 20.324 12.38217       28.91003 
1 1 1 -2  16 14 o 84.015  22.659 19.945    10.440  18.717    16.476  20.769    13.495  85.699  29.554 86.655  26.546 -0.9564133     39.72572 
1 1 1 -2  16 16 o 220.514 17.427 132.863   20.435  151.221   26.395  105.397   32.287  234.315 21.242 191.594 32.600 42.72145       38.90974 
1 1 1 -2  16 18 o 368.632 14.353 368.048   28.366  401.877   41.479  338.328   38.879  382.746 20.286 350.904 20.758 31.84210       29.02454 
1 1 1 -2  16 20 o 339.345 16.559 313.777   30.127  294.470   50.603  324.378   37.497  321.894 29.655 342.997 20.484 -21.10284      36.04205 
1 1 1 -2  16 22 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -2  16 24 o 229.106 16.218 144.777   19.792  138.456   22.156  169.740   44.032  222.995 18.705 236.295 35.885 -13.30026      40.46744 
1 1 1 -2  16 26 o 107.177 28.799 34.661    16.902  34.661    16.902  0.0000    0.0000  107.177 28.799 ?       ?      0.000000       28.79869 
1 1 1 -2  16 28 o 88.072  34.609 18.001    23.913  22.970    30.879  10.557    37.794  97.836  39.047 94.391  40.790 3.444305       56.46701 
1 1 1 -2  16 30 o 217.190 27.772 141.546   31.597  147.764   40.659  132.063   50.207  213.945 36.773 188.867 49.120 25.07784       61.36007 
1 1 1 -2  16 32 o 61.819  26.454 3.0382    15.604  -11.2499  17.391  62.041    35.340  53.634  24.952 129.051 43.304 -75.41708      49.97818 
1 1 1 -2  16 34 o 98.827  36.487 34.075    25.542  34.075    25.542  0.0000    0.0000  98.827  36.487 ?       ?      0.000000       36.48676 
1 1 1 -2  17 1  o 261.166 14.304 184.496   19.953  197.602   28.021  171.018   28.417  269.291 19.542 250.001 21.408 19.28984       28.98603 
1 1 1 -2  17 3  o 475.652 17.011 611.776   43.381  547.950   73.893  645.343   53.588  444.643 31.194 487.574 20.500 -42.93060      37.32755 
1 1 1 -2  17 5  o 284.576 20.073 220.858   30.429  0.0000    0.0000  220.858   30.429  ?       ?      284.576 20.073 0.000000       20.07283 
1 1 1 -2  17 7  o 457.532 14.511 565.020   35.594  567.843   50.486  562.231   50.192  457.088 20.602 454.829 20.583 2.258545       29.12196 
1 1 1 -2  17 9  o 401.435 14.360 435.101   30.907  481.496   44.051  390.123   43.374  421.022 19.516 377.865 21.499 43.15686       29.03563 
1 1 1 -2  17 11 o 434.208 14.497 509.418   33.747  551.759   48.147  468.527   47.315  450.311 19.943 413.977 21.391 36.33444       29.24549 
1 1 1 -2  17 13 o 100.081 24.151 28.572    12.810  24.714    16.736  34.028    19.906  94.508  29.663 109.187 31.963 -14.67935      43.60672 
1 1 1 -2  17 15 o 83.094  23.041 19.549    10.622  29.424    17.583  13.874    13.329  101.666 30.118 75.118  26.537 26.54725       40.14164 
1 1 1 -2  17 17 o 261.493 15.157 186.219   21.159  187.743   30.844  184.863   29.080  260.214 22.325 258.634 21.157 1.580383       30.75745 
1 1 1 -2  17 19 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -2  17 21 o 139.985 25.476 56.683    18.415  46.242    21.361  86.905    36.341  124.123 31.920 166.349 41.009 -42.22526      51.96763 
1 1 1 -2  17 23 o 92.259  31.132 23.965    18.266  19.333    21.393  36.427    35.091  88.731  33.266 114.242 42.649 -25.51103      54.08878 
1 1 1 -2  17 25 f 187.406 30.256 104.501   29.364  104.501   29.364  0.0000    0.0000  187.406 30.256 ?       ?      0.000000       30.25642 
1 1 1 -2  17 27 o 151.720 25.991 67.853    20.381  77.609    23.100  33.571    43.303  161.569 27.662 113.277 45.876 48.29232       53.57013 
1 1 1 -2  17 29 o 74.758  30.482 10.055    19.272  13.301    23.081  2.5821    35.023  81.934  33.378 85.912  38.125 -3.977966      50.67144 
1 1 1 -2  17 31 o 59.152  26.084 -0.8760   16.141  -4.7270   17.513  20.865    41.610  58.361  26.345 98.336  42.647 -39.97503      50.12825 
1 1 1 -2  18 2  o 310.899 17.122 262.528   28.430  264.352   50.092  261.662   34.530  307.598 30.788 309.391 20.940 -1.792694      37.23481 
1 1 1 -2  18 4  o 257.401 14.343 179.452   19.714  166.249   27.113  194.263   28.716  246.325 20.723 266.524 20.248 -20.19917      28.97254 
1 1 1 -2  18 6  o 359.645 14.319 349.361   27.609  356.974   39.531  342.111   38.577  361.570 20.477 353.958 20.415 7.611877       28.91509 
1 1 1 -2  18 8  o 190.325 15.223 98.595    15.403  108.550   22.733  90.145    20.944  198.278 21.741 180.385 22.120 17.89345       31.01593 
1 1 1 -2  18 10 o 145.793 19.787 58.930    15.067  63.840    19.422  51.509    23.877  150.497 24.945 132.961 33.508 17.53668       41.77336 
1 1 1 -2  18 12 o 183.293 19.097 92.547    18.490  69.127    35.957  100.967   21.560  151.753 42.502 190.894 21.436 -39.14125      47.60225 
1 1 1 -2  18 14 o 108.335 26.058 33.863    14.950  22.745    29.945  37.554    17.254  101.740 39.075 113.738 28.386 -11.99824      48.29738 
1 1 1 -2  18 16 o 254.544 22.496 180.428   30.384  0.0000    0.0000  180.428   30.384  ?       ?      254.544 22.496 0.000000       22.49556 
1 1 1 -2  18 18 o 296.668 18.506 242.505   29.287  302.685   61.541  224.886   33.300  319.781 36.552 284.038 22.040 35.74368       42.68295 
1 1 1 -2  18 20 o 66.969  27.401 5.7328    15.642  5.7328    15.642  0.0000    0.0000  66.969  27.401 ?       ?      0.000000       27.40143 
1 1 1 -2  18 22 o 116.390 31.059 40.643    19.741  40.643    19.741  0.0000    0.0000  116.390 31.059 ?       ?      0.000000       31.05926 
1 1 1 -2  18 24 o 211.237 19.301 124.766   21.617  101.951   25.194  188.434   42.086  187.801 25.697 251.808 31.889 -64.00717      40.95414 
1 1 1 -2  18 26 o 193.571 22.756 107.457   23.165  110.208   26.771  99.260    46.215  193.936 26.436 167.708 48.590 26.22827       55.31598 
1 1 1 -2  18 28 o 99.406  33.745 30.296    21.463  20.963    25.170  55.163    41.085  90.873  35.568 126.062 46.318 -35.18889      58.39917 
1 1 1 -2  18 30 o 132.073 37.879 60.650    28.214  60.650    28.214  0.0000    0.0000  132.073 37.879 ?       ?      0.000000       37.87874 
1 1 1 -2  19 1  o 89.902  25.141 22.895    12.591  14.761    15.762  37.239    20.930  79.321  28.758 113.813 32.620 -34.49178      43.48643 
1 1 1 -2  19 3  o 88.560  26.844 21.878    13.850  9.4218    16.211  55.552    26.654  73.043  28.557 137.673 35.782 -64.62926      45.78049 
1 1 1 -2  19 5  o 201.409 16.446 110.761   17.604  109.384   24.501  112.230   25.310  198.287 23.504 200.734 23.994 -2.446198      33.58813 
1 1 1 -2  19 7  o 155.398 20.102 66.998    16.355  83.293    21.196  43.016    25.713  172.569 23.522 121.790 36.500 50.77833       43.42239 
1 1 1 -2  19 9  o 103.437 21.366 30.369    11.457  34.251    19.012  28.156    14.356  108.895 31.049 99.008  26.515 9.886734       40.83010 
1 1 1 -2  19 11 o 151.709 18.638 63.760    14.840  63.203    21.773  64.245    20.281  148.068 28.462 150.065 26.159 -1.997849      38.65732 
1 1 1 -2  19 13 o 303.285 17.506 251.867   28.344  243.635   48.025  256.267   35.111  291.760 31.185 304.252 21.666 -12.49188      37.97286 
1 1 1 -2  19 15 o 80.805  27.254 17.419    13.999  70.167    33.506  6.2650    15.408  151.262 40.507 67.526  27.359 83.73624       48.88097 
1 1 1 -2  19 17 o 71.899  26.380 12.078    13.320  24.487    20.666  3.2596    17.422  95.374  33.088 67.565  28.389 27.80942       43.59742 
1 1 1 -2  19 19 o 95.189  29.113 26.106    16.239  20.766    25.399  29.798    21.119  94.590  36.068 102.108 33.448 -7.518417      49.19071 
1 1 1 -2  19 21 o 88.346  29.305 21.795    16.192  30.153    25.546  16.183    20.934  104.038 36.740 85.157  32.680 18.88107       49.17080 
1 1 1 -2  19 23 o 309.266 20.482 267.702   33.768  267.702   33.768  0.0000    0.0000  309.266 20.482 ?       ?      0.000000       20.48175 
1 1 1 -2  19 25 o 207.193 26.802 126.023   29.075  99.191    38.505  161.616   44.347  172.910 41.962 225.970 37.951 -53.06041      56.57784 
1 1 1 -2  19 27 o 146.410 41.265 73.909    33.782  73.909    33.782  0.0000    0.0000  146.410 41.265 ?       ?      0.000000       41.26495 
1 1 1 -2  20 2  o 183.485 20.225 93.154    19.565  77.831    23.046  132.695   37.021  165.503 26.896 214.470 33.275 -48.96687      42.78595 
1 1 1 -2  20 4  o 150.078 20.191 62.667    15.834  75.034    23.037  51.592    21.800  162.212 27.470 132.979 31.127 29.23363       41.51496 
1 1 1 -2  20 6  o 153.579 18.942 65.327    15.266  60.455    21.640  70.152    21.539  144.744 28.898 156.975 26.539 -12.23083      39.23536 
1 1 1 -2  20 8  o 327.414 17.437 292.859   30.498  307.868   54.770  286.114   36.716  328.987 31.435 322.098 21.383 6.888794       38.01857 
1 1 1 -2  20 10 o 167.527 26.511 79.842    23.019  105.890   30.306  44.323    35.389  191.852 30.484 125.313 43.308 66.53885       52.96110 
1 1 1 -2  20 12 o 111.930 27.935 36.419    16.710  38.119    20.569  33.118    28.656  114.149 32.208 110.701 38.931 3.447617       50.52707 
1 1 1 -2  20 14 o 78.719  33.919 0.9171    25.982  -12.1187  35.475  16.001    38.161  83.183  37.528 103.186 42.577 -20.00291      56.75509 
1 1 1 -2  20 16 o 107.205 39.440 29.678    29.802  29.678    29.802  0.0000    0.0000  107.205 39.440 ?       ?      0.000000       39.44009 
1 1 1 -2  20 18 o 110.572 32.344 36.201    20.390  40.273    25.374  28.780    34.257  116.366 36.525 108.670 41.781 7.696556       55.49541 
1 1 1 -2  20 20 o 69.494  30.011 0.6008    20.431  -23.7925  24.645  54.211    36.535  60.987  28.792 131.747 44.031 -70.76036      52.60926 
1 1 1 -2  20 22 o 147.975 31.988 66.604    24.638  40.901    32.301  102.365   38.100  116.462 41.293 178.572 40.701 -62.11040      57.97989 
1 1 1 -2  20 24 o 177.011 31.524 95.760    28.820  103.585   36.670  83.117    46.608  178.353 39.400 151.676 49.690 26.67706       63.41499 
1 1 1 -2  21 1  o 129.796 22.858 47.603    15.325  52.457    26.406  45.138    18.818  133.282 36.074 124.863 28.711 8.418678       46.10442 
1 1 1 -2  21 3  o 218.512 19.526 131.432   22.634  130.058   39.602  132.098   27.583  210.922 36.332 217.626 24.042 -6.703979      43.56665 
1 1 1 -2  21 5  o 230.714 17.072 145.575   20.967  159.854   29.477  130.952   29.829  239.880 23.210 215.797 26.328 24.08311       35.09846 
1 1 1 -2  21 7  o 105.926 27.795 32.432    15.983  9.4911    25.298  47.671    20.619  85.112  34.839 127.831 30.510 -42.71965      46.30986 
1 1 1 -2  21 9  o 117.616 24.340 39.598    14.842  52.464    20.864  26.415    21.119  134.247 29.768 98.759  33.474 35.48817       44.79590 
1 1 1 -2  21 11 o 190.849 21.406 101.396   21.525  102.878   41.864  100.864   25.096  182.908 43.353 188.942 25.420 -6.033798      50.25549 
1 1 1 -2  21 13 o 183.869 22.108 94.629    21.357  108.599   28.404  76.457    32.395  194.821 27.998 158.734 38.469 36.08707       47.57867 
1 1 1 -2  21 15 o 225.416 19.835 140.931   23.727  147.755   31.222  131.602   36.504  228.200 25.982 211.581 33.280 16.61986       42.22128 
1 1 1 -2  21 17 o 73.108  27.389 12.084    14.497  7.1054    22.517  15.609    18.946  78.270  32.533 82.626  31.235 -4.355721      45.10070 
1 1 1 -2  21 19 o 108.228 31.029 35.115    18.935  42.642    33.533  31.591    22.943  119.390 42.100 104.105 34.892 15.28434       54.67951 
1 1 1 -2  22 2  o 79.300  29.955 13.536    17.415  32.098    28.686  2.7024    21.915  109.951 38.921 74.572  31.613 35.37804       50.14230 
1 1 1 -2  22 4  o 146.374 25.715 61.079    19.444  33.849    34.315  73.956    23.597  115.013 42.320 160.456 28.473 -45.44313      51.00675 
1 1 1 -2  22 6  o 54.606  24.097 -3.4145   13.800  -15.1260  21.116  5.3156    18.232  60.360  27.876 71.218  29.411 -10.85808      40.52301 
1 1 1 -2  22 8  o 87.842  30.353 20.269    17.383  19.116    33.001  20.712    20.450  100.940 40.339 90.958  32.790 9.981392       51.98540 
1 1 1 -2  22 10 o 136.365 31.703 54.931    22.738  29.025    38.549  68.753    28.158  112.883 44.063 151.538 35.313 -38.65510      56.46721 
1 1 1 -2  22 12 f 162.810 34.759 79.358    29.417  50.462    44.237  102.266   39.388  132.243 48.142 181.924 41.324 -49.68074      63.44587 
1 1 1 -2  22 14 o 171.840 23.709 83.871    21.261  113.474   44.870  75.301    24.144  188.557 45.010 160.438 29.142 28.11920       53.62049 
1 1 1 -2  23 1  o 79.076  28.910 14.874    15.977  7.4119    18.911  33.485    29.865  74.174  30.214 111.364 39.682 -37.19055      49.87512 
1 1 1 -2  23 3  o 108.738 35.163 33.874    23.375  30.463    32.897  37.353    33.221  110.258 41.269 116.867 41.829 -6.608452      58.76036 
1 1 1 -2  23 5  o 50.737  23.192 -8.6065   14.103  -12.4747  20.479  -5.1168   19.451  60.652  27.806 63.928  28.389 -3.276199      39.73809 
1 1 1 -1  0  1  o 475.020 28.649 612.916   72.353  612.916   72.353  612.916   72.353  475.020 28.649 475.020 28.649 0.000000       0.000000 
1 1 1 -1  0  3  o 820.225 25.062 1811.96   109.977 1811.96   109.977 1811.96   109.977 820.225 25.062 820.225 25.062 0.000000       0.000000 
1 1 1 -1  0  5  o 1346.61 34.764 4889.69   250.601 4889.69   250.601 4889.69   250.601 1346.61 34.764 1346.61 34.764 0.000000       0.000000 
1 1 1 -1  0  7  o 1089.76 42.477 3218.73   247.318 3218.73   247.318 3218.73   247.318 1089.76 42.477 1089.76 42.477 0.000000       0.000000 
1 1 1 -1  0  9  o 154.392 18.625 66.732    14.821  66.732    14.821  66.732    14.821  154.392 18.625 154.392 18.625 0.000000       0.000000 
1 1 1 -1  0  11 o 32.423  18.163 3.7863    4.7460  3.7863    4.7460  3.7863    4.7460  32.423  18.163 32.423  18.163 0.000000       0.000000 
1 1 1 -1  0  13 o 430.470 19.729 501.708   45.314  501.708   45.314  501.708   45.314  430.470 19.729 430.470 19.729 0.000000       0.000000 
1 1 1 -1  0  15 o 78.499  25.532 21.108    9.5086  21.108    9.5086  21.108    9.5086  78.499  25.532 78.499  25.532 0.000000       0.000000 
1 1 1 -1  0  17 o 726.632 33.840 1438.00   131.178 1438.00   131.178 1438.00   131.178 726.632 33.840 726.632 33.840 0.000000       0.000000 
1 1 1 -1  0  19 o 179.870 19.889 90.036    18.581  90.036    18.581  90.036    18.581  179.870 19.889 179.870 19.889 0.000000       0.000000 
1 1 1 -1  0  21 o 230.214 30.036 149.651   35.326  149.651   35.326  149.651   35.326  230.214 30.036 230.214 30.036 0.000000       0.000000 
1 1 1 -1  0  23 o 485.593 20.779 636.806   53.872  636.806   53.872  636.806   53.872  485.593 20.779 485.593 20.779 0.000000       0.000000 
1 1 1 -1  0  25 o 36.501  24.407 -4.7241   13.183  -4.7241   13.183  -4.7241   13.183  36.501  24.407 36.501  24.407 0.000000       0.000000 
1 1 1 -1  0  27 o 241.717 35.825 167.810   43.428  167.810   43.428  167.810   43.428  241.717 35.825 241.717 35.825 0.000000       0.000000 
1 1 1 -1  0  29 o 460.047 21.242 573.236   52.137  573.236   52.137  573.236   52.137  460.047 21.242 460.047 21.242 0.000000       0.000000 
1 1 1 -1  0  31 o 352.057 33.472 346.287   61.866  346.287   61.866  346.287   61.866  352.057 33.472 352.057 33.472 0.000000       0.000000 
1 1 1 -1  0  33 o 416.923 22.559 475.046   50.088  475.046   50.088  475.046   50.088  416.923 22.559 416.923 22.559 0.000000       0.000000 
1 1 1 -1  0  35 o 305.877 24.217 259.527   39.141  259.527   39.141  259.527   39.141  305.877 24.217 305.877 24.217 0.000000       0.000000 
1 1 1 -1  0  37 o 253.912 40.561 194.131   50.993  194.131   50.993  194.131   50.993  253.912 40.561 253.912 40.561 0.000000       0.000000 
1 1 1 -1  0  39 o 240.119 32.970 170.228   40.170  170.228   40.170  170.228   40.170  240.119 32.970 240.119 32.970 0.000000       0.000000 
1 1 1 -1  0  41 o 119.266 61.577 69.641    50.542  69.641    50.542  69.641    50.542  119.266 61.577 119.266 61.577 0.000000       0.000000 
1 1 1 -1  0  43 o 170.201 53.549 108.515   42.920  108.515   42.920  108.515   42.920  170.201 53.549 170.201 53.549 0.000000       0.000000 
1 1 1 -1  0  45 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -1  1  2  o 96.840  12.512 25.582    6.3439  24.109    7.3197  30.026    12.717  93.590  15.102 103.617 23.441 -10.02702      27.88442 
1 1 1 -1  1  4  o 487.689 14.197 638.391   37.119  632.617   52.493  644.165   52.496  485.161 20.181 489.580 20.000 -4.419250      28.41275 
1 1 1 -1  1  6  o 172.787 14.355 80.700    13.177  68.710    22.769  86.739    16.158  157.342 28.018 178.889 17.054 -21.54762      32.80036 
1 1 1 -1  1  8  o 509.654 14.471 697.547   39.542  705.158   55.917  689.934   55.925  511.974 20.372 506.397 20.599 5.576782       28.97084 
1 1 1 -1  1  10 o 313.364 13.036 263.781   21.901  265.874   30.978  261.690   30.969  313.734 18.499 311.229 18.646 2.504364       26.26533 
1 1 1 -1  1  12 o 178.622 14.672 86.435    13.927  92.667    24.019  83.279    17.094  183.236 25.110 174.751 18.528 8.484955       31.20559 
1 1 1 -1  1  14 o 500.393 14.457 674.605   38.786  683.606   54.834  665.592   54.869  502.484 20.354 495.749 20.644 6.735168       28.99079 
1 1 1 -1  1  16 o 477.532 20.322 617.115   52.027  0.0000    0.0000  617.115   52.027  ?       ?      477.532 20.322 0.000000       20.32162 
1 1 1 -1  1  18 o 84.476  19.320 20.009    8.5602  18.385    10.080  24.211    16.213  81.255  22.411 94.446  29.123 -13.19108      36.74808 
1 1 1 -1  1  20 o 45.034  17.994 2.6487    6.5649  1.9582    7.9200  4.1649    11.736  47.480  19.471 59.371  23.939 -11.89151      30.85776 
1 1 1 -1  1  22 o 647.103 18.254 1126.78   63.329  1247.31   109.930 1066.91   77.476  678.600 30.216 628.980 22.975 49.62030       37.95842 
1 1 1 -1  1  24 o 596.533 15.497 957.306   49.563  969.973   70.209  944.723   69.977  599.420 21.847 591.525 22.065 7.895203       31.05125 
1 1 1 -1  1  26 o 126.911 23.055 44.934    15.109  46.267    28.265  44.400    17.878  128.583 38.207 125.433 27.356 3.150597       46.99094 
1 1 1 -1  1  28 o 237.363 18.908 153.327   23.862  129.750   29.089  201.828   41.721  216.820 25.512 270.014 29.290 -53.19344      38.84287 
1 1 1 -1  1  30 o 338.538 15.531 310.196   28.188  304.496   39.274  316.252   40.483  333.089 22.118 339.392 22.374 -6.303314      31.46096 
1 1 1 -1  1  32 o 565.034 18.778 876.642   56.886  829.106   98.356  900.535   69.732  533.755 34.556 569.452 22.840 -35.69647      41.42236 
1 1 1 -1  1  34 o 263.394 17.275 192.477   24.259  161.269   34.516  222.942   34.103  234.669 27.986 280.068 22.913 -45.39854      36.16930 
1 1 1 -1  1  36 o 273.859 17.971 211.212   26.240  201.003   38.405  220.151   35.936  258.372 28.182 273.871 24.742 -15.49921      37.50149 
1 1 1 -1  1  38 o 138.891 29.374 62.239    21.190  77.418    30.915  48.788    29.101  146.073 38.814 115.298 39.293 30.77500       55.23082 
1 1 1 -1  1  40 o 190.671 29.337 123.509   29.028  158.760   35.558  53.079    50.261  211.857 32.330 103.222 45.746 108.6348       56.01715 
1 1 1 -1  1  42 o 137.944 40.605 87.567    32.046  36.274    51.739  119.491   40.818  89.361  42.044 151.254 46.136 -61.89243      62.42029 
1 1 1 -1  1  44 o 99.810  40.754 61.955    34.510  -39.3224  62.826  105.716   41.298  69.217  34.983 123.480 46.234 -54.26245      57.97807 
1 1 1 -1  1  46 o 56.185  28.401 -34.8291  41.512  -37.2138  52.787  -30.9643  67.201  59.472  30.266 62.871  32.175 -3.399178      44.17287 
1 1 1 -1  2  1  o 941.906 19.251 2383.78   97.217  2365.48   137.481 2402.08   137.490 937.175 27.362 944.431 27.154 -7.255127      38.54897 
1 1 1 -1  2  3  o 742.773 16.731 1481.63   66.626  1533.45   94.228  1429.83   94.219  755.009 23.279 728.962 24.108 26.04724       33.51252 
1 1 1 -1  2  5  o 498.614 16.353 667.721   43.715  589.220   75.682  707.026   53.552  466.327 30.438 512.877 19.476 -46.54977      36.13562 
1 1 1 -1  2  7  o 481.560 16.175 622.996   41.761  604.166   51.133  660.715   72.369  473.946 20.123 494.174 27.423 -20.22791      34.01402 
1 1 1 -1  2  9  o 595.911 15.281 954.448   48.819  933.358   69.038  975.540   69.043  588.476 21.882 601.697 21.403 -13.22101      30.60909 
1 1 1 -1  2  11 o 403.160 13.651 437.057   29.507  436.263   41.760  437.849   41.698  402.166 19.368 402.905 19.304 -0.7389526     27.34539 
1 1 1 -1  2  13 o 56.557  16.949 8.7124    5.5447  9.2071    10.508  8.5215    6.5275  64.416  23.461 57.163  18.589 7.252811       29.93287 
1 1 1 -1  2  15 o 133.218 15.592 48.496    10.925  48.121    18.938  48.683    13.375  130.358 27.938 132.807 19.354 -2.449417      33.98677 
1 1 1 -1  2  17 o 200.661 15.216 109.001   16.248  111.271   19.970  104.555   27.946  202.265 18.624 194.310 27.602 7.955307       33.29765 
1 1 1 -1  2  19 o 380.110 13.638 388.171   27.793  391.668   39.202  384.637   39.409  380.918 19.258 377.437 19.542 3.481323       27.43649 
1 1 1 -1  2  21 o 386.484 15.867 401.501   32.877  385.635   40.217  433.464   57.082  377.957 19.918 399.693 26.793 -21.73572      33.38524 
1 1 1 -1  2  23 o 481.858 16.854 624.742   43.539  603.636   75.343  635.325   53.349  470.829 30.004 485.489 20.496 -14.65930      36.33637 
1 1 1 -1  2  25 o 233.124 17.176 147.209   21.316  140.080   38.340  150.399   25.645  224.280 32.860 235.132 20.550 -10.85214      38.75635 
1 1 1 -1  2  27 f 500.802 15.010 675.645   40.301  686.277   56.914  664.953   57.073  503.522 21.083 495.546 21.482 7.976135       30.09943 
1 1 1 -1  2  29 o 206.595 17.699 116.381   19.414  145.514   27.529  87.555    27.384  230.061 22.611 175.929 30.116 54.13173       37.65922 
1 1 1 -1  2  31 o 317.497 15.533 273.822   26.440  265.342   36.945  282.726   37.856  309.612 22.409 319.721 22.223 -10.10825      31.55939 
1 1 1 -1  2  33 o 270.731 24.570 208.276   35.275  220.338   49.992  196.316   49.781  270.793 35.271 253.490 37.784 17.30386       51.68873 
1 1 1 -1  2  35 o 175.498 22.084 88.702    20.319  69.850    29.541  105.628   27.992  146.383 37.480 187.524 28.760 -41.14139      47.24306 
1 1 1 -1  2  37 o 226.283 23.693 151.675   28.318  161.845   34.581  130.975   49.337  228.827 28.828 182.074 49.321 46.75288       57.12785 
1 1 1 -1  2  39 o 112.669 36.485 48.008    25.159  68.432    30.732  6.5010    43.811  130.806 40.057 85.663  39.770 45.14312       56.44648 
1 1 1 -1  2  41 o 76.045  32.875 15.924    24.569  -19.1187  36.430  45.159    33.275  67.255  32.597 98.563  40.106 -31.30739      51.68201 
1 1 1 -1  2  43 o 202.536 43.640 196.310   45.989  0.0000    0.0000  196.310   45.989  ?       ?      202.536 43.640 0.000000       43.64008 
1 1 1 -1  2  45 o 110.428 43.764 95.180    38.539  61.285    46.432  170.236   69.095  84.312  39.718 101.880 48.133 -17.56882      62.40389 
1 1 1 -1  3  2  o 808.025 20.057 1755.15   86.886  1967.34   150.509 1649.09   106.408 853.449 32.894 782.572 25.362 70.87738       41.53570 
1 1 1 -1  3  4  o 592.766 17.562 944.082   55.813  970.785   96.672  930.731   68.356  598.997 30.200 588.205 21.676 10.79126       37.17352 
1 1 1 -1  3  6  o 417.632 15.811 468.575   35.403  484.746   43.361  436.245   61.313  424.568 19.050 400.957 28.712 23.61090       34.45681 
1 1 1 -1  3  8  o 415.945 13.651 464.774   30.442  452.978   43.041  476.581   43.062  410.171 19.572 420.766 19.089 -10.59521      27.33979 
1 1 1 -1  3  10 o 471.693 14.171 598.372   35.837  593.008   50.676  603.737   50.685  468.796 20.163 473.045 19.985 -4.249298      28.38920 
1 1 1 -1  3  12 o 539.774 17.080 785.998   49.427  818.271   85.651  769.884   60.521  546.644 29.332 533.310 21.167 13.33405       36.17218 
1 1 1 -1  3  14 o 377.337 15.659 383.915   31.678  375.405   54.904  388.161   38.784  369.809 27.898 378.395 19.181 -8.585114      33.85509 
1 1 1 -1  3  16 o 489.896 16.404 646.617   43.084  664.425   52.815  611.193   74.490  496.014 19.860 472.746 29.538 23.26797       35.59385 
1 1 1 -1  3  18 o 624.597 17.748 1049.98   59.431  990.331   72.635  1170.79   103.374 605.886 22.361 657.283 29.335 -51.39697      36.88562 
1 1 1 -1  3  20 o 371.118 15.755 370.167   31.348  336.884   53.723  387.350   38.601  351.837 28.731 378.933 19.062 -27.09537      34.47935 
1 1 1 -1  3  22 o 398.605 14.009 426.914   29.938  401.698   42.204  452.455   42.475  385.606 20.488 409.925 19.327 -24.31812      28.16530 
1 1 1 -1  3  24 o 258.949 20.496 182.040   28.223  0.0000    0.0000  182.040   28.223  ?       ?      258.949 20.496 0.000000       20.49631 
1 1 1 -1  3  26 o 531.131 17.607 760.863   50.137  822.458   86.997  730.230   61.351  548.367 29.702 519.433 22.030 28.93457       36.98002 
1 1 1 -1  3  28 o 285.713 17.721 221.516   27.012  192.124   32.878  282.556   47.381  264.768 23.402 320.169 27.881 -55.40173      36.40076 
1 1 1 -1  3  30 o 455.720 15.182 562.500   37.094  497.891   52.015  629.364   52.915  425.407 22.890 479.993 20.562 -54.58609      30.76970 
1 1 1 -1  3  32 o 233.938 17.451 150.808   21.730  158.156   30.467  143.199   31.002  236.631 24.364 224.126 26.301 12.50557       35.85130 
1 1 1 -1  3  34 o 99.968  31.842 29.938    19.224  31.354    30.367  28.991    24.834  105.715 39.634 100.685 36.152 5.030296       53.64540 
1 1 1 -1  3  36 o 146.820 30.676 67.575    23.368  85.112    40.014  58.499    28.787  152.311 45.507 131.264 38.440 21.04720       59.56950 
1 1 1 -1  3  38 o 85.271  36.058 16.983    28.398  16.983    28.398  0.0000    0.0000  85.271  36.058 ?       ?      0.000000       36.05838 
1 1 1 -1  3  40 f 105.138 35.062 43.330    23.168  45.614    34.934  41.537    30.955  101.267 41.137 99.182  39.249 2.085747       56.85690 
1 1 1 -1  3  42 o 116.374 44.301 75.932    38.278  0.0000    0.0000  75.932    38.278  ?       ?      116.374 44.301 0.000000       44.30118 
1 1 1 -1  3  44 o 62.385  29.908 -4.2927   28.736  -0.5770   42.576  -7.4012   38.943  69.821  34.148 66.645  32.608 3.176537       47.21664 
1 1 1 -1  3  46 o 73.917  35.431 45.637    40.290  59.353    53.237  27.250    61.639  73.907  36.541 67.822  34.322 6.084900       50.13244 
1 1 1 -1  4  1  o 1361.77 28.547 5004.47   208.417 5143.03   361.015 4935.21   255.248 1371.56 49.095 1349.95 35.268 21.61719       60.44938 
1 1 1 -1  4  3  o 750.550 16.791 1513.79   67.564  1523.01   95.546  1504.56   95.555  751.922 23.701 747.329 23.849 4.592834       33.62305 
1 1 1 -1  4  5  o 823.460 17.629 1823.55   77.828  1771.61   110.050 1875.52   110.080 810.268 25.333 833.844 24.624 -23.57605      35.32836 
1 1 1 -1  4  7  o 222.966 14.680 134.209   17.450  134.209   17.450  0.0000    0.0000  222.966 14.680 ?       ?      0.000000       14.67960 
1 1 1 -1  4  9  o 143.758 12.561 55.968    9.5840  57.129    13.576  54.815    13.532  144.508 17.906 141.445 18.272 3.063141       25.58283 
1 1 1 -1  4  11 o 271.164 15.057 198.676   21.803  209.530   37.908  193.310   26.653  276.428 25.880 266.886 18.746 9.542480       31.95590 
1 1 1 -1  4  13 o 60.022  16.865 9.9847    5.6516  5.5184    9.4207  12.496    7.0640  56.424  21.850 67.091  18.856 -10.66715      28.86080 
1 1 1 -1  4  15 o 1037.65 20.461 2908.60   113.825 3003.05   160.985 2814.18   160.961 1050.54 28.583 1016.45 29.537 34.08447       41.10225 
1 1 1 -1  4  17 o 429.385 13.931 495.466   32.069  483.765   45.281  507.241   45.424  423.734 19.932 433.938 19.525 -10.20441      27.90170 
1 1 1 -1  4  19 o 507.594 14.392 692.138   39.165  617.827   55.228  767.313   55.548  478.947 21.508 533.987 19.403 -55.04010      28.96682 
1 1 1 -1  4  21 o 567.178 15.182 864.546   46.167  871.068   65.351  858.048   65.229  568.594 21.438 564.312 21.560 4.281799       30.40417 
1 1 1 -1  4  23 o 318.221 19.679 273.992   33.409  0.0000    0.0000  273.992   33.409  ?       ?      318.221 19.679 0.000000       19.67861 
1 1 1 -1  4  25 o 412.139 21.269 460.291   46.836  391.482   67.902  522.738   64.687  376.759 33.982 437.689 27.709 -60.93018      43.84719 
1 1 1 -1  4  27 o 195.715 19.756 104.662   20.446  123.238   25.687  72.544    33.777  211.882 22.981 158.510 39.802 53.37167       45.96015 
1 1 1 -1  4  29 o 496.273 17.798 668.129   47.354  627.921   58.032  748.248   81.917  479.380 22.580 519.050 29.559 -39.66980      37.19674 
1 1 1 -1  4  31 o 522.791 15.631 744.065   43.811  722.133   62.144  765.738   61.775  510.706 22.696 526.487 21.885 -15.78110      31.52929 
1 1 1 -1  4  33 o 198.768 18.550 110.226   19.539  106.623   28.248  113.532   27.056  190.588 28.522 198.101 26.111 -7.512848      38.66888 
1 1 1 -1  4  35 o 314.626 16.263 275.284   27.338  257.594   38.833  292.665   38.494  297.576 24.560 319.134 22.645 -21.55823      33.40669 
1 1 1 -1  4  37 o 203.303 44.776 153.828   47.485  0.0000    0.0000  153.828   47.485  ?       ?      203.303 44.776 0.000000       44.77598 
1 1 1 -1  4  39 o 94.284  33.495 31.850    21.263  9.3525    31.188  51.390    29.066  78.945  35.440 112.424 39.227 -33.47911      52.86484 
1 1 1 -1  4  41 o 100.372 39.775 46.354    31.831  0.0000    0.0000  46.354    31.831  ?       ?      100.372 39.775 0.000000       39.77474 
1 1 1 -1  4  43 o 78.178  36.381 19.608    37.015  25.695    56.005  14.887    49.323  82.522  40.093 78.877  38.157 3.644402       55.34795 
1 1 1 -1  4  45 o 68.873  33.225 15.593    36.760  21.991    49.695  7.8610    54.628  71.613  35.388 69.304  34.701 2.308258       49.56268 
1 1 1 -1  5  2  o 953.536 19.290 2447.96   98.616  2430.83   139.463 2465.09   139.465 948.091 27.437 954.808 27.244 -6.716614      38.66599 
1 1 1 -1  5  4  o 1068.40 20.674 3077.22   118.420 3085.05   167.460 3069.39   167.483 1066.74 29.281 1064.00 29.360 2.744019       41.46517 
1 1 1 -1  5  6  o 648.513 15.765 1131.72   54.812  1108.37   77.502  1155.09   77.531  640.503 22.569 653.968 22.113 -13.46442      31.59678 
1 1 1 -1  5  8  o 29.823  11.933 1.1367    2.8920  1.6388    3.7607  0.4100    4.5239  34.382  13.657 34.483  14.476 -0.1010857     19.90151 
1 1 1 -1  5  10 o 201.682 26.357 112.472   27.818  0.0000    0.0000  112.472   27.818  ?       ?      201.682 26.357 0.000000       26.35732 
1 1 1 -1  5  12 o 415.613 15.955 465.598   35.552  489.227   43.540  418.325   61.585  425.525 19.085 390.267 29.655 35.25793       35.26581 
1 1 1 -1  5  14 o 361.304 13.380 350.996   25.919  376.366   36.730  325.834   36.580  373.639 18.336 346.944 19.747 26.69412       26.94741 
1 1 1 -1  5  16 o 113.623 16.397 35.431    9.6993  31.121    11.659  45.117    17.480  105.585 21.330 126.867 26.551 -21.28194      34.05804 
1 1 1 -1  5  18 o 408.013 16.155 447.404   35.338  462.447   43.201  416.983   61.433  414.579 19.437 391.656 29.473 22.92343       35.30480 
1 1 1 -1  5  20 o 778.155 17.260 1628.29   72.006  1631.25   101.848 1625.34   101.816 777.643 24.429 776.225 24.466 1.418213       34.57359 
1 1 1 -1  5  22 o 330.890 13.838 294.257   24.549  298.677   34.878  289.917   34.559  332.358 19.661 327.413 19.780 4.944275       27.88947 
1 1 1 -1  5  24 o 480.449 17.044 621.848   43.902  587.315   76.201  639.006   53.713  463.349 30.851 486.480 20.594 -23.13159      37.09339 
1 1 1 -1  5  26 o 322.436 16.990 281.211   29.266  280.848   36.170  281.900   49.805  321.450 21.105 320.025 29.355 1.425751       36.15443 
1 1 1 -1  5  28 o 134.313 21.293 50.227    14.822  52.869    22.191  48.099    19.915  135.714 31.157 129.679 29.331 6.035080       42.79130 
1 1 1 -1  5  30 o 130.485 25.625 48.789    17.287  63.572    33.915  43.601    20.092  144.964 41.516 122.067 30.724 22.89716       51.64863 
1 1 1 -1  5  32 o 124.895 23.693 45.048    15.285  46.198    23.868  44.249    19.901  123.137 34.678 121.515 30.573 1.622749       46.23043 
1 1 1 -1  5  34 o 302.285 34.975 282.330   55.636  282.330   55.636  0.0000    0.0000  302.285 34.975 ?       ?      0.000000       34.97544 
1 1 1 -1  5  36 o 172.249 23.865 87.972    21.447  129.266   28.673  35.526    32.313  207.155 26.418 105.850 40.606 101.3051       48.44356 
1 1 1 -1  5  38 o 63.739  27.375 4.7949    16.817  -10.2480  28.212  13.087    20.946  67.512  31.532 75.686  31.412 -8.174042      44.50850 
1 1 1 -1  5  40 o 206.343 25.591 138.310   27.703  133.374   55.253  139.968   32.019  145.543 53.678 200.261 30.809 -54.71793      61.89183 
1 1 1 -1  5  42 o 79.609  33.680 22.297    24.795  0.3340    40.660  35.299    31.285  74.562  35.701 89.438  37.835 -14.87598      52.02018 
1 1 1 -1  5  44 o 77.001  36.621 27.487    41.294  8.8754    65.057  40.044    53.439  74.601  37.427 80.268  39.036 -5.666916      54.07941 
1 1 1 -1  6  1  o 207.788 14.753 116.728   16.328  122.410   19.978  105.298   28.336  212.426 17.703 195.069 27.889 17.35678       33.03299 
1 1 1 -1  6  3  o 429.074 19.596 496.749   45.078  496.749   45.078  0.0000    0.0000  429.074 19.596 ?       ?      0.000000       19.59588 
1 1 1 -1  6  5  o 559.715 17.128 844.453   51.397  798.780   62.898  936.239   89.165  543.488 21.586 586.542 28.355 -43.05463      35.63637 
1 1 1 -1  6  7  f 206.575 18.258 116.051   20.012  128.792   28.382  103.455   28.222  216.450 24.913 192.981 28.102 23.46825       37.55470 
1 1 1 -1  6  9  o 130.316 19.190 46.836    13.006  53.831    18.193  39.524    18.601  138.673 25.406 118.069 29.476 20.60442       38.91409 
1 1 1 -1  6  11 o 177.430 12.760 85.081    12.057  83.525    13.881  89.864    24.331  175.531 14.890 180.189 25.933 -4.658524      29.90392 
1 1 1 -1  6  13 f 232.242 12.717 145.357   15.774  138.719   18.014  167.181   32.661  226.628 14.909 247.384 24.967 -20.75522      29.07971 
1 1 1 -1  6  15 o 376.242 15.535 380.426   31.336  348.638   38.267  445.121   54.594  359.341 19.942 405.376 25.245 -46.03433      32.17102 
1 1 1 -1  6  17 o 361.361 15.754 350.850   30.522  356.973   37.310  338.462   53.069  363.797 19.197 352.917 28.285 10.87918       34.18454 
1 1 1 -1  6  19 o 731.373 16.662 1437.94   65.333  1376.52   92.210  1499.85   92.581  714.492 24.072 745.978 23.149 -31.48572      33.39632 
1 1 1 -1  6  21 o 407.572 14.120 446.441   30.853  450.418   43.658  442.472   43.609  408.866 19.916 405.227 20.073 3.638824       28.27657 
1 1 1 -1  6  23 o 269.127 16.435 195.723   23.600  178.211   40.613  204.651   28.998  254.222 30.401 274.733 19.821 -20.51143      36.29123 
1 1 1 -1  6  25 o 476.676 21.080 614.609   53.873  627.949   76.639  601.579   75.744  478.737 30.011 468.436 30.322 10.30109       42.66267 
1 1 1 -1  6  27 o 105.494 24.690 31.564    13.717  57.348    20.886  12.008    18.190  142.191 28.392 79.328  30.458 62.86272       41.63885 
1 1 1 -1  6  29 o 572.075 22.676 899.677   69.550  874.310   98.726  924.670   97.996  555.179 33.323 572.133 32.077 -16.95459      46.25319 
1 1 1 -1  6  31 o 246.196 18.943 167.811   24.811  162.648   44.939  170.076   29.758  232.304 37.348 246.135 22.810 -13.83054      43.76246 
1 1 1 -1  6  33 o 433.937 17.757 521.738   41.311  495.866   73.465  533.703   49.958  404.713 34.178 435.704 21.387 -30.99091      40.31741 
1 1 1 -1  6  35 o 185.963 21.976 100.193   21.487  83.407    38.939  107.542   25.764  152.222 44.745 190.059 25.963 -37.83742      51.73246 
1 1 1 -1  6  37 o 177.121 25.207 96.301    23.261  72.042    41.845  107.150   27.983  130.472 46.919 182.874 29.549 -52.40213      55.44899 
1 1 1 -1  6  39 o 139.433 41.749 82.715    33.652  117.624   49.594  52.926    45.814  147.678 51.256 105.812 45.306 41.86565       68.40859 
1 1 1 -1  6  41 o 137.804 34.498 73.422    25.429  40.404    37.156  102.512   34.876  94.650  40.671 152.051 41.584 -57.40048      58.16672 
1 1 1 -1  6  43 o 97.076  42.929 65.459    44.026  65.459    44.026  0.0000    0.0000  97.076  42.929 ?       ?      0.000000       42.92854 
1 1 1 -1  6  45 o 108.916 41.675 88.915    33.983  94.722    54.642  85.252    43.397  85.745  41.143 91.342  41.331 -5.596962      58.31811 
1 1 1 -1  7  2  o 583.467 17.566 918.160   54.948  875.947   95.140  939.288   67.308  565.275 31.518 589.300 21.304 -24.02515      38.04299 
1 1 1 -1  7  4  o 327.965 13.180 289.329   23.175  279.017   32.735  299.692   32.814  320.902 19.114 332.733 18.467 -11.83145      26.57773 
1 1 1 -1  7  6  o 73.827  17.212 15.284    6.6873  14.923    11.382  15.474    8.2641  75.453  24.547 74.459  20.192 0.9937057      31.78504 
1 1 1 -1  7  8  o 258.174 14.941 179.981   20.592  176.832   25.167  186.359   35.815  255.400 18.506 260.860 25.953 -5.459137      31.87494 
1 1 1 -1  7  10 o 551.163 17.124 817.844   50.601  807.422   61.946  838.742   87.719  547.027 21.122 555.042 29.585 -8.014343      36.35109 
1 1 1 -1  7  12 o 638.168 17.825 1095.73   60.987  1095.73   60.987  0.0000    0.0000  638.168 17.825 ?       ?      0.000000       17.82494 
1 1 1 -1  7  14 o 196.442 13.625 104.119   14.261  103.703   16.243  105.518   29.786  195.848 15.599 195.510 29.321 0.3383636      33.21215 
1 1 1 -1  7  16 o 490.082 16.590 645.393   43.589  624.176   53.159  688.935   76.153  481.646 20.586 504.413 28.274 -22.76703      34.97438 
1 1 1 -1  7  18 o 391.899 16.103 412.775   33.834  411.070   58.192  413.646   41.585  389.075 28.086 391.549 19.875 -2.473694      34.40685 
1 1 1 -1  7  20 o 529.628 14.761 753.993   41.914  693.642   59.017  815.413   59.538  507.187 21.704 550.125 20.186 -42.93805      29.64045 
1 1 1 -1  7  22 o 692.989 18.975 1294.51   70.499  1173.69   121.779 1355.42   86.460  654.706 34.819 708.241 22.770 -53.53473      41.60349 
1 1 1 -1  7  24 o 523.390 17.512 738.697   49.141  750.455   60.266  715.368   84.886  526.785 21.339 510.913 31.139 15.87238       37.74851 
1 1 1 -1  7  26 o 355.467 16.990 341.465   32.380  323.916   39.787  375.884   55.721  344.701 21.639 369.301 28.360 -24.59943      35.67233 
1 1 1 -1  7  28 o 300.928 21.577 249.113   34.580  219.315   48.868  279.001   48.941  277.274 33.556 315.284 29.288 -38.00970      44.53985 
1 1 1 -1  7  30 o 180.786 21.836 91.695    20.736  103.116   26.120  72.231    34.100  190.041 26.345 152.693 40.854 37.34776       48.61161 
1 1 1 -1  7  32 o 210.113 17.716 122.740   19.770  134.380   30.566  114.368   25.923  215.003 27.120 199.426 24.779 15.57617       36.73566 
1 1 1 -1  7  34 o 284.537 18.928 228.019   28.710  299.764   58.057  204.795   33.032  308.620 35.750 266.268 23.375 42.35172       42.71389 
1 1 1 -1  7  36 o 118.297 33.723 47.086    22.430  0.0000    0.0000  47.086    22.430  ?       ?      118.297 33.723 0.000000       33.72350 
1 1 1 -1  7  38 o 242.817 30.886 197.870   39.298  269.932   58.997  140.394   52.688  259.800 43.922 166.875 52.669 92.92477       68.57957 
1 1 1 -1  7  40 o 143.552 30.442 72.210    22.702  116.673   37.143  45.692    28.684  166.152 41.748 103.921 38.606 62.23170       56.86258 
1 1 1 -1  7  42 o 140.968 37.233 85.244    28.558  84.475    43.570  85.824    37.813  114.098 46.084 122.913 44.546 -8.815071      64.09388 
1 1 1 -1  7  44 o 187.862 33.451 151.391   32.457  163.431   72.320  148.354   36.320  99.085  47.488 170.231 40.402 -71.14525      62.34930 
1 1 1 -1  8  1  o 479.652 16.515 619.480   42.470  625.027   73.599  616.711   52.002  478.800 28.806 478.039 20.290 0.7608032      35.23413 
1 1 1 -1  8  3  o 338.906 18.957 310.598   34.306  0.0000    0.0000  310.598   34.306  ?       ?      338.906 18.957 0.000000       18.95664 
1 1 1 -1  8  5  o 78.203  16.141 17.062    6.5430  9.0361    9.5716  24.101    8.9646  62.778  22.454 92.948  18.638 -30.16986      29.18192 
1 1 1 -1  8  7  o 458.683 14.050 565.420   34.551  581.540   48.947  549.411   48.778  464.611 19.650 451.537 20.149 13.07434       28.14468 
1 1 1 -1  8  9  o 619.963 15.387 1032.96   51.142  1051.94   72.363  1014.02   72.289  624.858 21.601 613.439 21.980 11.41876       30.81730 
1 1 1 -1  8  11 o 142.827 18.459 55.755    13.804  78.624    20.865  37.956    18.408  169.229 23.643 116.318 29.480 52.91100       37.78978 
1 1 1 -1  8  13 o 561.416 17.488 847.009   52.638  834.234   64.508  872.468   91.063  556.802 21.609 567.644 30.029 -10.84216      36.99592 
1 1 1 -1  8  15 f 200.951 13.687 108.922   14.658  103.683   16.822  125.438   29.869  195.786 16.171 214.060 26.600 -18.27319      31.12946 
1 1 1 -1  8  17 o 540.010 14.846 783.456   42.981  764.788   49.445  841.173   86.943  533.325 17.293 557.020 29.215 -23.69464      33.94938 
1 1 1 -1  8  19 o 511.792 17.190 704.730   47.168  718.003   57.545  677.552   82.343  516.151 20.795 498.859 30.940 17.29233       37.27937 
1 1 1 -1  8  21 o 985.241 28.236 2633.25   149.145 2665.15   211.015 2601.42   210.831 985.372 39.943 973.255 40.405 12.11664       56.81577 
1 1 1 -1  8  23 o 299.733 14.073 241.730   22.615  221.666   31.428  263.272   32.566  285.684 20.659 311.658 19.590 -25.97385      28.46991 
1 1 1 -1  8  25 o 324.577 14.559 284.045   25.335  304.871   36.249  264.157   35.424  334.764 20.293 311.272 21.356 23.49200       29.45982 
1 1 1 -1  8  27 o 54.898  24.043 -2.6574   13.504  -25.6763  26.520  5.4000    15.690  64.306  30.206 67.536  27.517 -3.230072      40.86091 
1 1 1 -1  8  29 o 341.638 15.060 317.528   27.585  337.941   40.019  299.049   38.076  349.217 21.479 328.295 21.756 20.92245       30.57242 
1 1 1 -1  8  31 o 282.317 18.242 220.911   27.463  232.160   34.505  201.468   45.362  286.961 22.611 259.944 33.316 27.01761       40.26417 
1 1 1 -1  8  33 o 225.089 17.740 141.708   21.234  178.490   33.018  115.765   27.729  247.783 25.206 198.137 26.791 49.64574       36.78428 
1 1 1 -1  8  35 o 180.792 21.573 95.445    20.498  80.376    34.066  103.997   25.663  150.022 41.127 185.051 26.634 -35.02878      48.99825 
1 1 1 -1  8  37 o 64.260  29.068 -2.1905   21.447  22.939    33.524  -19.6018  27.905  90.752  38.804 62.992  30.000 27.75972       49.04813 
1 1 1 -1  8  39 o 93.571  35.818 32.246    25.108  34.768    38.132  30.315    33.360  95.896  41.204 92.453  39.088 3.442459       56.79453 
1 1 1 -1  8  41 o 95.611  37.057 39.506    27.116  36.162    38.171  42.913    38.527  90.960  40.111 94.812  41.077 -3.851631      57.41270 
1 1 1 -1  8  43 o 93.126  36.794 45.880    27.163  26.694    44.485  57.286    34.299  78.096  37.380 95.762  40.008 -17.66537      54.75311 
1 1 1 -1  9  2  o 383.089 15.540 394.371   31.916  457.211   55.640  363.554   38.964  410.876 25.383 367.000 19.877 43.87592       32.23927 
1 1 1 -1  9  4  o 580.365 21.533 906.891   67.000  892.673   94.722  921.127   94.781  573.653 30.913 582.853 30.437 -9.200439      43.38208 
1 1 1 -1  9  6  o 455.944 13.992 558.200   34.202  579.568   48.417  536.917   48.322  464.227 19.453 446.765 20.174 17.46219       28.02564 
1 1 1 -1  9  8  o 781.546 19.882 1642.54   83.307  1677.24   102.105 1573.44   144.080 789.172 24.133 762.370 35.251 26.80231       42.71989 
1 1 1 -1  9  10 o 247.427 13.082 164.780   17.292  165.059   24.540  164.504   24.371  247.120 18.660 246.711 18.561 0.4089050      26.31955 
1 1 1 -1  9  12 o 397.149 13.741 423.429   29.257  440.246   41.512  406.832   41.240  404.681 19.133 388.475 19.868 16.20645       27.58252 
1 1 1 -1  9  14 o 605.420 18.035 985.342   58.538  982.866   71.646  990.316   101.528 604.228 22.117 604.407 31.440 -0.1787109     38.43994 
1 1 1 -1  9  16 o 536.387 14.862 773.033   42.738  768.514   49.306  786.685   85.703  534.608 17.203 538.434 29.805 -3.825378      34.41304 
1 1 1 -1  9  18 o 162.426 15.226 71.544    13.105  71.950    15.123  70.322    26.256  162.571 17.634 158.186 32.057 4.385391       36.58714 
1 1 1 -1  9  20 o 459.396 20.400 569.222   50.246  569.222   50.246  0.0000    0.0000  459.396 20.400 ?       ?      0.000000       20.40047 
1 1 1 -1  9  22 o 271.297 14.553 198.657   21.090  187.585   24.069  235.257   43.761  263.250 17.148 292.747 28.232 -29.49695      33.03180 
1 1 1 -1  9  24 o 196.772 18.557 105.694   19.345  94.765    31.781  112.126   24.382  182.486 33.726 201.796 22.945 -19.30934      40.79119 
1 1 1 -1  9  26 o 272.927 17.005 202.949   24.758  195.717   41.844  206.846   30.711  263.520 30.160 274.386 21.037 -10.86536      36.77226 
1 1 1 -1  9  28 o 342.567 17.483 321.396   32.002  342.940   39.324  279.147   55.068  352.303 20.913 310.453 33.623 41.85052       39.59597 
1 1 1 -1  9  30 o 129.898 27.143 49.596    18.294  56.198    23.510  39.463    29.127  136.290 32.611 115.390 39.310 20.89977       51.07649 
1 1 1 -1  9  32 o 309.017 18.140 266.206   29.922  320.357   53.956  242.157   35.957  327.422 31.111 291.137 23.230 36.28458       38.82669 
1 1 1 -1  9  34 o 86.621  32.544 20.718    20.495  0.0000    0.0000  20.718    20.495  ?       ?      86.621  32.544 0.000000       32.54364 
1 1 1 -1  9  36 o 198.337 32.292 130.372   33.156  97.661    52.775  151.701   42.616  141.695 52.421 203.587 40.469 -61.89162      66.22433 
1 1 1 -1  9  38 o 105.525 33.287 40.044    21.048  -4.8297   36.451  62.489    25.780  76.386  35.731 129.743 35.864 -53.35714      50.62532 
1 1 1 -1  9  40 o 86.315  36.886 25.914    30.261  89.649    45.667  -23.9831  40.406  125.263 48.219 69.556  33.854 55.70664       58.91619 
1 1 1 -1  9  42 o 57.285  27.589 -13.3001  25.099  -50.0832  50.667  -1.3378   28.894  65.022  32.677 65.311  30.937 -0.2888870     44.99827 
1 1 1 -1  10 1  o 262.103 12.932 184.370   18.173  172.595   25.737  196.077   25.663  252.703 19.139 269.567 17.858 -16.86423      26.17625 
1 1 1 -1  10 3  o 616.770 31.461 1029.34   103.688 1029.34   103.688 0.0000    0.0000  616.770 31.461 ?       ?      0.000000       31.46147 
1 1 1 -1  10 5  o 951.174 27.373 2437.77   139.590 2462.94   197.491 2412.64   197.329 953.651 38.627 943.771 38.999 9.880188       54.89031 
1 1 1 -1  10 7  o 603.692 15.201 978.515   49.198  1018.52   69.623  938.617   69.530  615.452 21.100 590.743 21.953 24.70917       30.44950 
1 1 1 -1  10 9  o 956.853 18.991 2460.76   97.423  2431.20   137.768 2490.33   137.786 949.810 27.055 961.351 26.733 -11.54077      38.03442 
1 1 1 -1  10 11 o 397.515 15.725 424.439   33.512  421.953   58.084  425.680   41.030  394.580 27.631 397.899 19.234 -3.318573      33.66634 
1 1 1 -1  10 13 o 928.437 18.932 2318.43   94.239  2349.09   133.325 2287.80   133.223 933.035 26.653 920.706 26.989 12.32941       37.93124 
1 1 1 -1  10 15 o 704.791 16.255 1335.38   61.420  1342.08   70.948  1315.36   122.703 706.224 18.738 696.419 32.863 9.804382       37.83028 
1 1 1 -1  10 17 o 683.371 23.306 1260.41   85.387  1260.41   85.387  0.0000    0.0000  683.371 23.306 ?       ?      0.000000       23.30577 
1 1 1 -1  10 19 o 509.335 16.905 698.404   46.162  677.336   56.320  741.531   80.578  501.019 20.967 521.916 28.910 -20.89670      35.71265 
1 1 1 -1  10 21 o 364.365 14.282 357.324   27.900  363.154   32.279  340.101   55.479  367.090 16.401 351.954 29.679 15.13657       33.90891 
1 1 1 -1  10 23 o 228.970 17.426 142.596   21.232  144.073   25.709  139.428   37.651  229.389 21.143 222.505 32.522 6.883392       38.79038 
1 1 1 -1  10 25 o 295.404 14.217 236.010   22.517  206.819   25.532  338.160   47.762  275.407 17.381 349.262 25.687 -73.85431      31.01524 
1 1 1 -1  10 27 o 139.733 24.514 55.675    17.695  53.198    21.387  61.049    31.503  134.702 30.344 141.830 39.805 -7.127716      50.05155 
1 1 1 -1  10 29 o 118.940 24.336 41.026    14.996  26.015    22.562  52.903    20.070  97.723  34.526 133.791 28.830 -36.06868      44.97988 
1 1 1 -1  10 31 o 81.256  29.386 17.218    16.443  72.090    36.243  2.9962    18.451  147.311 43.131 67.886  28.901 79.42565       51.91825 
1 1 1 -1  10 33 o 95.223  38.235 23.038    29.801  0.0000    0.0000  23.038    29.801  ?       ?      95.223  38.235 0.000000       38.23462 
1 1 1 -1  10 35 o 139.150 30.772 63.281    22.347  122.208   30.967  -0.7505   32.281  194.898 30.648 77.941  35.417 116.9568       46.83683 
1 1 1 -1  10 37 o 162.040 33.481 90.480    28.124  134.084   38.636  41.334    41.018  190.718 39.099 104.317 43.681 86.40101       58.62364 
1 1 1 -1  10 39 o 70.031  32.137 0.0946    27.445  -12.4595  43.700  8.2715    35.268  76.528  36.740 79.684  36.517 -3.155579      51.80049 
1 1 1 -1  10 41 o 149.016 35.155 89.929    27.631  118.132   51.636  78.613    32.709  126.235 50.455 124.979 41.659 1.255974       65.43125 
1 1 1 -1  11 2  o 863.392 21.124 2004.34   97.779  1960.80   119.736 2091.50   169.411 853.272 26.174 879.453 35.930 -26.18109      44.45271 
1 1 1 -1  11 4  o 440.067 19.973 520.580   47.122  520.580   47.122  0.0000    0.0000  440.067 19.973 ?       ?      0.000000       19.97269 
1 1 1 -1  11 6  o 505.045 20.769 685.942   56.237  689.991   79.468  681.880   79.594  504.873 29.487 501.850 29.715 3.023590       41.86235 
1 1 1 -1  11 8  o 467.867 20.220 588.729   50.720  562.074   71.413  615.859   72.048  455.392 29.407 476.952 28.302 -21.56073      40.81408 
1 1 1 -1  11 10 o 555.835 21.113 831.478   62.916  776.242   88.527  887.849   89.433  534.963 30.999 572.604 29.229 -37.64075      42.60608 
1 1 1 -1  11 12 o 608.675 18.051 996.376   58.906  1004.95   72.162  979.253   101.983 610.803 22.036 600.565 31.787 10.23798       38.67792 
1 1 1 -1  11 14 f 516.395 16.994 717.157   47.048  721.032   57.758  709.514   81.107  517.369 20.823 511.095 29.728 6.273499       36.29530 
1 1 1 -1  11 16 o 463.531 16.384 577.968   40.717  577.968   40.717  0.0000    0.0000  463.531 16.384 ?       ?      0.000000       16.38433 
1 1 1 -1  11 18 o 254.666 14.341 174.972   19.500  169.249   22.353  193.195   39.891  250.156 16.764 265.280 28.494 -15.12421      33.05980 
1 1 1 -1  11 20 o 586.695 15.571 927.585   48.979  922.248   56.484  943.763   98.336  584.483 18.025 586.303 31.398 -1.819702      36.20404 
1 1 1 -1  11 22 o 334.022 14.364 301.060   25.723  307.082   29.749  283.220   51.207  336.999 16.465 319.077 30.297 17.92154       34.48256 
1 1 1 -1  11 24 o 171.832 17.902 81.132    16.250  81.428    19.334  80.420    29.992  171.229 21.537 165.927 34.825 5.302292       40.94644 
1 1 1 -1  11 26 o 98.519  33.923 26.170    21.703  26.170    21.703  0.0000    0.0000  98.519  33.923 ?       ?      0.000000       33.92307 
1 1 1 -1  11 28 o 105.201 27.311 32.545    15.539  31.087    20.552  34.490    23.743  103.357 32.924 108.637 35.459 -5.279953      48.38748 
1 1 1 -1  11 30 o 262.592 19.030 192.525   26.610  201.032   33.860  178.786   43.030  265.256 24.072 242.896 33.973 22.35971       41.63659 
1 1 1 -1  11 32 o 328.860 23.399 313.347   40.986  353.237   60.381  279.263   55.813  335.897 33.997 296.124 35.888 39.77316       49.43470 
1 1 1 -1  11 34 o 70.901  28.416 10.901    16.427  -9.5642   28.250  21.356    20.191  69.805  32.240 85.801  32.289 -15.99541      45.62864 
1 1 1 -1  11 36 o 228.212 24.482 158.870   29.486  205.846   40.194  104.135   43.387  252.258 30.328 156.552 47.524 95.70560       56.37653 
1 1 1 -1  11 38 o 95.609  37.463 33.687    27.947  -16.4131  39.453  84.140    39.592  73.675  35.248 134.862 45.832 -61.18639      57.81870 
1 1 1 -1  11 40 o 133.968 37.456 75.626    27.950  -1.2299   65.897  92.486    30.864  83.032  40.978 147.618 38.572 -64.58681      56.27552 
1 1 1 -1  12 1  o 629.706 15.760 1065.07   53.206  1068.62   75.271  1061.53   75.217  630.129 22.281 628.030 22.339 2.099121       31.55088 
1 1 1 -1  12 3  o 881.377 18.516 2088.22   87.492  2082.74   123.753 2093.69   123.712 878.982 26.261 881.305 26.183 -2.322327      37.08316 
1 1 1 -1  12 5  o 428.384 16.342 493.051   37.532  500.206   64.726  489.427   46.068  429.605 28.260 426.556 20.144 3.048431       34.70446 
1 1 1 -1  12 7  o 658.890 18.504 1167.36   65.366  1130.29   113.123 1185.94   80.091  645.416 32.800 663.624 22.511 -18.20740      39.78140 
1 1 1 -1  12 9  o 222.703 15.939 133.956   18.905  125.161   32.415  138.490   23.273  213.285 29.107 226.061 19.390 -12.77541      34.97452 
1 1 1 -1  12 11 o 826.998 17.787 1839.49   78.862  1819.17   111.528 1859.81   111.526 821.015 25.337 830.195 25.057 -9.180237      35.63470 
1 1 1 -1  12 13 o 323.942 16.011 282.159   27.807  287.448   34.126  271.709   47.968  326.137 19.608 315.574 28.664 10.56238       34.72913 
1 1 1 -1  12 15 o 561.009 14.892 846.326   44.791  909.729   63.593  783.910   63.097  580.846 20.421 538.959 21.836 41.88666       29.89729 
1 1 1 -1  12 17 o 476.023 14.813 609.855   37.805  601.412   43.794  634.545   74.893  472.376 17.293 481.989 29.119 -9.613068      33.86676 
1 1 1 -1  12 19 o 279.767 16.127 211.890   24.087  230.269   29.248  173.150   42.463  291.183 18.836 248.861 32.611 42.32196       37.65948 
1 1 1 -1  12 21 o 435.794 14.149 512.712   33.058  481.864   38.019  608.311   66.929  421.869 16.809 469.776 26.684 -47.90662      31.53684 
1 1 1 -1  12 23 o 62.010  25.766 3.0332    14.117  -5.4142   24.684  7.1390    17.209  72.916  32.199 71.835  28.980 1.080353       43.32041 
1 1 1 -1  12 25 o 51.330  22.200 -0.9116   11.214  -0.9116   11.214  0.0000    0.0000  51.330  22.200 ?       ?      0.000000       22.20022 
1 1 1 -1  12 27 o 264.131 24.745 197.236   34.633  221.155   50.360  175.772   47.704  272.939 35.238 240.971 38.199 31.96852       51.96977 
1 1 1 -1  12 29 o 186.270 19.470 97.425    19.157  90.724    22.451  115.368   36.736  177.529 24.220 192.667 36.908 -15.13808      44.14517 
1 1 1 -1  12 31 o 56.977  27.076 -22.2450  22.482  4.1387    33.627  -43.5708  30.232  85.551  37.690 59.933  29.195 25.61773       47.67495 
1 1 1 -1  12 33 o 201.038 18.640 115.668   19.862  120.037   22.372  99.407    43.161  203.270 20.822 159.602 47.164 43.66829       51.55558 
1 1 1 -1  12 35 o 102.532 33.082 35.314    20.700  46.733    35.851  29.604    25.352  112.063 42.823 95.783  36.151 16.27993       56.04196 
1 1 1 -1  12 37 o 118.591 41.535 57.876    32.602  185.237   54.757  -12.0667  40.578  203.545 50.435 77.046  36.543 126.4994       62.28217 
1 1 1 -1  12 39 o 80.229  34.212 19.981    25.932  135.919   60.079  -6.5652   28.748  136.431 54.461 66.406  31.273 70.02467       62.80122 
1 1 1 -1  13 2  o 465.062 20.437 582.008   50.956  0.0000    0.0000  582.008   50.956  ?       ?      465.062 20.437 0.000000       20.43672 
1 1 1 -1  13 4  o 265.202 16.074 189.683   22.747  177.961   39.446  195.524   27.842  254.975 29.395 268.900 19.444 -13.92467      35.24341 
1 1 1 -1  13 6  o 778.331 17.311 1628.72   72.236  1580.56   102.083 1677.02   102.230 765.541 24.872 788.685 24.177 -23.14453      34.68664 
1 1 1 -1  13 8  o 402.549 16.196 435.591   34.954  444.214   42.946  418.671   60.158  406.244 19.718 392.461 28.792 13.78381       34.89680 
1 1 1 -1  13 10 f 547.786 17.442 807.245   51.225  805.281   62.881  811.121   88.321  546.621 21.457 546.341 30.271 0.2800293      37.10434 
1 1 1 -1  13 12 o 141.545 16.138 54.590    12.028  44.939    16.992  64.283    17.028  126.638 25.900 152.931 21.350 -26.29269      33.56551 
1 1 1 -1  13 14 o 227.902 14.470 140.280   17.589  141.704   24.852  138.850   24.897  228.203 20.533 225.832 20.797 2.371567       29.22508 
1 1 1 -1  13 16 o 346.650 20.055 326.083   37.113  348.580   52.112  302.931   52.866  356.598 27.469 331.544 30.069 25.05344       40.72711 
1 1 1 -1  13 18 o 224.321 17.623 136.954   21.024  168.142   26.621  85.251    34.275  248.155 20.184 171.508 38.250 76.64674       43.24831 
1 1 1 -1  13 20 o 132.325 23.168 49.228    15.837  47.779    20.753  51.248    24.507  128.729 30.532 132.811 34.208 -4.082230      45.85182 
1 1 1 -1  13 22 o 383.096 16.252 398.512   33.380  398.512   33.380  0.0000    0.0000  383.096 16.252 ?       ?      0.000000       16.25184 
1 1 1 -1  13 24 o 317.108 14.556 273.056   24.746  283.237   28.921  245.227   47.815  321.862 16.818 292.662 30.943 29.19937       35.21799 
1 1 1 -1  13 26 o 91.765  25.896 24.410    13.296  33.386    14.580  -19.9109  32.398  106.916 25.744 74.522  34.456 32.39378       43.01157 
1 1 1 -1  13 28 f 120.640 24.455 42.589    15.275  30.083    17.084  92.465    34.116  100.402 29.673 171.234 38.140 -70.83146      48.32349 
1 1 1 -1  13 30 o 102.470 30.019 32.436    17.552  45.056    20.230  -5.9866   35.299  119.899 31.179 81.812  37.122 38.08660       48.47878 
1 1 1 -1  13 32 o 198.839 20.839 114.353   21.885  114.353   21.885  0.0000    0.0000  198.839 20.839 ?       ?      0.000000       20.83903 
1 1 1 -1  13 34 o 175.227 22.598 91.147    20.735  90.354    23.439  94.006    44.473  171.642 26.309 151.203 48.460 20.43896       55.14134 
1 1 1 -1  13 36 o 323.222 22.544 314.242   38.822  366.976   51.300  243.570   59.388  338.677 28.518 245.324 46.862 93.35280       54.85701 
1 1 1 -1  13 38 o 93.375  42.307 33.259    45.644  0.0000    0.0000  33.259    45.644  ?       ?      93.375  42.307 0.000000       42.30668 
1 1 1 -1  14 1  o 609.891 15.618 999.771   51.068  976.138   72.100  1023.56   72.344  601.802 22.346 616.315 21.894 -14.51294      31.28451 
1 1 1 -1  14 3  o 467.601 14.511 587.506   36.378  584.943   51.416  590.075   51.477  466.026 20.579 468.073 20.513 -2.046753      29.05614 
1 1 1 -1  14 5  o 381.006 14.157 390.060   28.918  393.328   40.736  386.740   41.057  381.636 19.979 378.370 20.314 3.265930       28.49238 
1 1 1 -1  14 7  o 433.318 16.540 505.110   38.425  477.519   47.084  560.134   66.491  420.880 20.866 454.108 27.440 -33.22803      34.47216 
1 1 1 -1  14 9  o 655.249 16.101 1155.34   56.564  1156.01   80.018  1154.67   79.969  654.186 22.815 653.807 22.814 0.3793945      32.26444 
1 1 1 -1  14 11 o 298.823 16.496 241.248   26.326  217.213   46.059  252.910   32.083  280.621 31.139 305.487 19.694 -24.86566      36.84428 
1 1 1 -1  14 13 o 290.502 19.806 229.204   30.664  0.0000    0.0000  229.204   30.664  ?       ?      290.502 19.806 0.000000       19.80631 
1 1 1 -1  14 15 o 310.800 13.948 260.330   23.241  256.817   32.746  263.895   32.991  307.206 19.991 311.458 19.860 -4.252350      28.17922 
1 1 1 -1  14 17 o 218.567 17.686 130.246   20.547  134.196   25.678  123.216   34.259  220.889 21.975 208.759 31.598 12.13017       38.48792 
1 1 1 -1  14 19 o 219.941 19.702 132.780   22.986  128.017   30.831  138.741   34.492  213.567 27.570 221.672 29.775 -8.104889      40.57939 
1 1 1 -1  14 21 o 363.909 14.009 358.555   27.332  364.214   31.777  342.465   53.583  366.162 16.187 349.026 28.895 17.13553       33.12005 
1 1 1 -1  14 23 o 341.201 22.819 323.392   41.502  383.105   59.569  267.069   57.854  366.547 30.592 301.841 36.491 64.70627       47.61824 
1 1 1 -1  14 25 o 177.421 19.460 87.783    18.207  78.496    20.624  120.578   38.755  166.055 23.851 199.076 37.691 -33.02110      44.60335 
1 1 1 -1  14 27 o 348.364 16.928 334.797   31.615  317.599   37.994  373.512   57.005  336.039 21.198 356.274 30.126 -20.23532      36.83663 
1 1 1 -1  14 29 o 202.803 17.947 115.612   19.312  88.289    21.709  219.222   42.275  173.918 23.915 269.930 29.704 -96.01210      38.13442 
1 1 1 -1  14 31 o 160.985 25.911 77.710    21.605  77.710    21.605  0.0000    0.0000  160.985 25.911 ?       ?      0.000000       25.91119 
1 1 1 -1  14 33 o 228.551 21.620 152.446   26.177  129.667   30.994  209.128   48.891  204.172 29.141 249.137 37.789 -44.96503      47.72023 
1 1 1 -1  14 35 o 95.936  33.348 31.054    20.997  49.770    24.055  -28.8510  43.036  118.209 35.275 74.870  36.075 43.33987       50.45549 
1 1 1 -1  14 37 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 -1  15 2  o 474.388 16.856 606.018   42.871  580.028   52.268  659.451   74.943  463.519 21.033 491.987 28.535 -28.46835      35.44884 
1 1 1 -1  15 4  o 341.049 16.081 313.157   29.403  284.245   35.608  375.113   52.126  323.831 20.617 371.004 26.378 -47.17325      33.47943 
1 1 1 -1  15 6  o 445.386 14.442 533.795   34.485  509.284   48.460  558.940   49.084  434.149 20.820 454.940 20.124 -20.79077      28.95584 
1 1 1 -1  15 8  o 219.908 16.384 131.058   19.179  119.457   32.610  137.192   23.713  207.115 30.260 224.456 19.912 -17.34058      36.22405 
1 1 1 -1  15 10 o 644.097 16.003 1118.82   55.262  1139.82   78.211  1097.88   78.092  648.215 22.505 636.043 22.901 12.17188       32.10803 
1 1 1 -1  15 12 o 271.921 19.682 201.338   28.499  190.820   40.355  211.803   40.254  262.237 29.199 276.950 27.473 -14.71274      40.09174 
1 1 1 -1  15 14 o 170.627 15.986 79.357    14.453  91.729    21.844  69.724    19.275  182.100 22.880 158.269 23.424 23.83099       32.74367 
1 1 1 -1  15 16 o 143.448 17.160 56.542    12.935  50.851    19.133  61.333    17.555  133.500 27.642 148.184 22.829 -14.68414      35.85036 
1 1 1 -1  15 18 o 165.183 25.684 76.907    22.006  76.907    22.006  0.0000    0.0000  165.183 25.684 ?       ?      0.000000       25.68366 
1 1 1 -1  15 20 o 110.134 23.249 34.623    13.297  43.209    15.912  14.753    24.207  122.888 25.003 88.649  34.826 34.23891       42.87221 
1 1 1 -1  15 22 o 128.035 23.761 46.830    15.710  46.830    15.710  0.0000    0.0000  128.035 23.761 ?       ?      0.000000       23.76088 
1 1 1 -1  15 24 o 329.218 20.183 301.092   35.453  244.513   47.254  373.950   53.623  289.814 30.888 361.456 27.886 -71.64224      41.61408 
1 1 1 -1  15 26 o 218.545 19.118 133.762   22.175  127.442   25.768  151.798   43.532  211.221 23.133 219.977 38.303 -8.756348      44.74647 
1 1 1 -1  15 28 o 322.075 15.603 286.377   26.942  286.377   26.942  0.0000    0.0000  322.075 15.603 ?       ?      0.000000       15.60267 
1 1 1 -1  15 30 o 380.971 15.503 402.004   31.665  395.060   36.299  424.113   64.769  375.543 18.029 370.044 32.993 5.499573       37.59779 
1 1 1 -1  15 32 o 309.369 16.767 269.213   27.706  267.389   32.131  274.501   54.710  305.598 19.716 289.480 36.031 16.11801       41.07261 
1 1 1 -1  15 34 o 115.446 42.001 51.315    33.664  70.841    50.219  35.381    45.366  125.256 49.857 103.932 44.802 21.32381       67.02924 
1 1 1 -1  16 1  o 398.405 14.186 427.471   30.302  411.030   42.854  443.910   42.851  389.138 20.614 405.117 19.729 -15.97861      28.53422 
1 1 1 -1  16 3  o 303.298 14.085 247.749   22.903  258.595   32.056  236.438   32.735  308.616 19.474 294.763 20.849 13.85236       28.52894 
1 1 1 -1  16 5  o 283.728 14.178 216.872   21.566  208.659   29.887  225.795   31.152  276.869 20.275 288.065 20.301 -11.19586      28.69132 
1 1 1 -1  16 7  o 262.004 20.291 187.103   28.280  193.878   39.471  179.956   40.539  264.740 28.245 254.348 30.327 10.39275       41.44273 
1 1 1 -1  16 9  o 275.990 20.222 207.672   29.713  186.518   41.456  230.021   42.610  258.682 30.476 288.439 27.903 -29.75705      41.32050 
1 1 1 -1  16 11 o 151.169 18.880 62.889    14.968  66.528    18.473  55.936    25.537  154.630 22.983 139.154 34.420 15.47572       41.38769 
1 1 1 -1  16 13 o 239.118 17.927 155.901   22.815  162.732   28.432  143.551   38.233  243.304 22.036 225.038 32.642 18.26590       39.38382 
1 1 1 -1  16 15 o 188.089 23.418 98.363    23.103  98.363    23.103  0.0000    0.0000  188.089 23.418 ?       ?      0.000000       23.41773 
1 1 1 -1  16 17 o 50.019  21.965 -2.5641   11.338  -9.5877   14.399  8.8996    18.395  50.901  23.329 75.506  30.137 -24.60551      38.11125 
1 1 1 -1  16 19 o 375.070 23.145 389.698   46.315  404.239   68.650  377.552   62.745  374.784 34.555 363.522 32.538 11.26132       47.46345 
1 1 1 -1  16 21 f 204.894 23.480 118.099   25.328  112.658   32.144  127.009   41.132  196.458 31.589 204.848 38.874 -8.390350      50.09076 
1 1 1 -1  16 23 o 167.331 18.794 78.199    16.569  67.862    18.797  114.222   35.088  153.997 23.512 194.366 34.958 -40.36862      42.12872 
1 1 1 -1  16 25 o 108.945 25.261 35.092    14.468  31.386    16.306  48.807    31.366  102.343 28.607 124.174 40.767 -21.83108      49.80262 
1 1 1 -1  16 27 o 253.709 18.010 179.698   24.339  153.824   27.923  261.533   49.658  231.910 22.751 294.602 31.952 -62.69217      39.22425 
1 1 1 -1  16 29 o 109.223 29.527 36.876    17.704  32.277    20.244  51.831    36.506  102.162 32.690 124.009 43.906 -21.84760      54.73921 
1 1 1 -1  16 31 o 59.310  25.608 1.3793    14.869  4.8342    16.425  -14.3087  35.000  65.135  27.477 76.027  35.379 -10.89140      44.79547 
1 1 1 -1  16 33 o 128.782 50.798 75.524    51.697  75.524    51.697  0.0000    0.0000  128.782 50.798 ?       ?      0.000000       50.79818 
1 1 1 -1  17 2  o 243.529 17.091 161.110   22.173  199.282   37.618  140.788   27.448  268.690 26.457 226.324 22.937 42.36595       35.01568 
1 1 1 -1  17 4  o 146.874 21.040 59.737    16.094  57.247    25.504  61.385    20.746  140.968 34.114 147.483 27.241 -6.514938      43.65641 
1 1 1 -1  17 6  o 411.536 14.313 456.937   31.580  418.478   44.461  496.096   44.864  391.773 21.247 427.614 19.569 -35.84082      28.88589 
1 1 1 -1  17 8  f 317.390 14.290 271.895   24.316  279.621   34.916  264.619   33.883  320.103 20.452 311.374 20.410 8.728668       28.89364 
1 1 1 -1  17 10 o 207.098 15.159 116.536   16.714  109.769   24.587  122.350   22.790  199.078 23.489 211.115 20.389 -12.03694      31.10353 
1 1 1 -1  17 12 o 239.956 16.926 156.854   21.635  156.015   27.424  158.237   35.207  238.091 21.723 237.738 28.170 0.3533173      35.57343 
1 1 1 -1  17 14 o 333.983 14.203 301.704   25.431  332.543   37.111  274.401   34.918  348.594 19.940 316.295 20.706 32.29959       28.74594 
1 1 1 -1  17 16 o 175.476 19.065 85.014    17.647  83.950    22.657  86.656    28.137  172.525 25.242 173.120 31.475 -0.5945892     40.34638 
1 1 1 -1  17 18 o 261.042 16.993 186.654   23.653  176.734   38.914  192.466   29.787  248.596 29.791 263.527 21.264 -14.93053      36.60122 
1 1 1 -1  17 20 o 208.502 20.167 121.071   22.262  123.606   27.211  115.940   38.716  208.747 24.799 195.015 38.396 13.73212       45.70833 
1 1 1 -1  17 22 o 151.945 22.080 65.651    17.461  65.729    19.723  65.370    37.550  150.749 25.299 142.539 44.383 8.209717       51.08683 
1 1 1 -1  17 24 o 55.309  24.052 -0.9424   13.307  -0.9424   13.307  0.0000    0.0000  55.309  24.052 ?       ?      0.000000       24.05186 
1 1 1 -1  17 26 o 206.831 20.891 121.090   22.848  120.370   26.346  123.271   45.887  204.208 24.557 191.356 45.410 12.85165       51.62459 
1 1 1 -1  17 28 o 150.528 27.113 67.907    21.076  60.040    24.147  93.068    43.185  137.970 33.074 161.167 47.050 -23.19664      57.51152 
1 1 1 -1  17 30 o 121.763 40.841 51.742    31.435  77.018    55.158  39.585    38.255  137.075 52.929 110.818 43.702 26.25761       68.63967 
1 1 1 -1  17 32 o 53.550  24.585 -7.1743   16.085  -7.1743   16.085  0.0000    0.0000  53.550  24.585 ?       ?      0.000000       24.58473 
1 1 1 -1  18 1  o 446.846 16.822 540.441   40.301  569.918   70.209  525.956   49.217  453.746 29.013 439.677 20.879 14.06845       35.74426 
1 1 1 -1  18 3  o 399.418 14.272 430.684   30.562  407.716   42.980  454.176   43.467  386.559 20.815 408.831 19.831 -22.27249      28.74962 
1 1 1 -1  18 5  o 190.386 18.402 99.226    18.549  96.516    31.198  100.708   23.069  183.739 32.878 190.717 23.027 -6.977921      40.13982 
1 1 1 -1  18 7  o 44.737  20.125 -4.8298   10.117  38.706    21.730  -16.8782  11.431  116.216 33.215 38.868  18.694 77.34773       38.11402 
1 1 1 -1  18 9  o 83.554  34.024 8.9753    23.971  8.9753    23.971  0.0000    0.0000  83.554  34.024 ?       ?      0.000000       34.02390 
1 1 1 -1  18 11 o 308.401 16.904 258.967   27.843  264.689   34.219  247.757   47.897  310.624 20.665 296.496 30.570 14.12762       36.89954 
1 1 1 -1  18 13 o 373.723 14.740 378.534   29.533  409.018   42.060  348.889   41.478  386.057 20.393 355.857 21.846 30.20029       29.88541 
1 1 1 -1  18 15 o 188.998 22.726 99.936    22.566  0.0000    0.0000  99.936    22.566  ?       ?      188.998 22.726 0.000000       22.72618 
1 1 1 -1  18 17 o 162.065 18.528 72.904    15.809  79.301    22.730  66.910    22.004  166.385 26.359 151.932 28.047 14.45317       38.48931 
1 1 1 -1  18 19 o 175.186 17.881 85.061    16.559  92.602    24.165  78.385    22.736  179.852 25.800 164.887 26.626 14.96515       37.07517 
1 1 1 -1  18 21 o 108.106 28.878 34.635    17.055  46.271    22.677  19.484    25.877  123.646 33.414 93.260  36.185 30.38586       49.25343 
1 1 1 -1  18 23 o 117.070 38.572 41.625    28.069  39.442    40.976  43.554    38.530  119.256 45.731 121.678 44.833 -2.421394      64.04148 
1 1 1 -1  18 25 o 157.016 31.448 74.880    25.550  59.825    34.357  93.511    38.218  135.113 42.517 168.553 42.346 -33.43997      60.00737 
1 1 1 -1  18 27 o 179.043 48.531 115.878   47.751  0.0000    0.0000  115.878   47.751  ?       ?      179.043 48.531 0.000000       48.53101 
1 1 1 -1  18 29 o 181.889 33.399 106.087   31.369  106.087   31.369  0.0000    0.0000  181.889 33.399 ?       ?      0.000000       33.39914 
1 1 1 -1  19 2  o 160.520 16.776 70.616    14.224  62.841    21.086  77.108    19.268  148.618 27.476 166.538 22.128 -17.91992      35.27826 
1 1 1 -1  19 4  o 64.724  25.130 7.5174    12.487  10.838    14.993  0.0001    22.558  73.062  27.747 73.760  31.692 -0.6985168     42.12202 
1 1 1 -1  19 6  o 74.114  24.416 14.545    11.248  5.7440    15.635  23.986    16.193  67.786  27.526 92.989  29.177 -25.20281      40.11227 
1 1 1 -1  19 8  o 248.516 15.093 167.989   20.014  192.657   28.799  144.946   27.834  264.658 20.455 228.531 23.032 36.12680       30.80369 
1 1 1 -1  19 10 o 118.325 21.207 39.506    12.959  48.005    19.032  32.161    17.694  128.791 28.333 105.556 29.904 23.23531       41.19471 
1 1 1 -1  19 12 o 222.834 17.533 136.257   20.777  122.846   35.020  143.542   25.811  205.681 32.864 227.488 21.415 -21.80719      39.22570 
1 1 1 -1  19 14 o 195.666 16.702 105.137   17.353  108.584   24.833  101.848   24.259  196.425 24.086 190.047 24.370 6.378311       34.26428 
1 1 1 -1  19 16 o 263.464 19.110 191.542   26.810  193.539   31.949  186.790   49.290  263.241 22.865 250.193 37.936 13.04843       44.29364 
1 1 1 -1  19 18 o 166.487 21.092 77.753    18.404  82.254    24.514  71.939    27.860  168.583 28.113 154.770 34.461 13.81367       44.47309 
1 1 1 -1  19 20 o 153.931 31.315 70.425    24.964  70.425    24.964  0.0000    0.0000  153.931 31.315 ?       ?      0.000000       31.31510 
1 1 1 -1  19 22 o 314.236 17.399 272.697   29.198  269.337   34.519  281.147   54.739  310.309 20.870 307.107 33.806 3.202301       39.72897 
1 1 1 -1  19 24 o 92.993  33.642 23.673    21.554  23.161    25.697  24.889    39.583  95.199  36.284 106.012 43.508 -10.81318      56.65223 
1 1 1 -1  19 26 o 165.048 29.065 82.633    24.779  100.848   29.825  42.046    44.521  180.617 31.970 117.534 46.893 63.08286       56.75432 
1 1 1 -1  20 1  o 189.221 22.634 99.717    22.506  118.844   31.665  80.189    31.994  204.227 29.797 164.470 37.160 39.75717       47.63114 
1 1 1 -1  20 3  o 345.098 14.517 322.645   26.859  336.659   38.411  309.237   37.571  350.102 20.554 335.314 21.005 14.78806       29.38851 
1 1 1 -1  20 5  o 81.306  28.464 16.721    15.310  20.310    17.788  6.4649    30.073  88.544  30.699 88.629  37.272 -0.8554077E-01 48.28670 
1 1 1 -1  20 7  o 122.687 26.638 43.364    17.019  49.394    19.783  26.187    33.387  130.482 29.028 107.738 41.288 22.74425       50.47125 
1 1 1 -1  20 9  o 217.406 18.202 129.862   21.021  140.984   34.872  123.514   26.345  222.174 30.047 210.186 23.799 11.98712       38.33033 
1 1 1 -1  20 11 o 303.503 17.861 252.244   28.936  299.145   52.345  231.605   34.723  324.375 30.456 288.949 22.594 35.42563       37.92164 
1 1 1 -1  20 13 o 105.243 23.768 31.840    13.094  47.985    21.143  21.796    16.677  127.717 31.155 89.469  29.743 38.24824       43.07349 
1 1 1 -1  20 15 o 129.521 25.064 48.205    16.776  24.865    23.264  73.490    24.214  97.818  35.004 159.014 29.488 -61.19516      45.76967 
1 1 1 -1  20 17 o 275.160 16.437 207.544   24.137  213.374   35.342  202.447   33.043  275.552 24.167 268.865 23.149 6.686981       33.46530 
1 1 1 -1  20 19 o 156.158 23.326 69.502    18.930  47.132    31.874  81.692    23.529  124.567 41.105 167.957 27.048 -43.38999      49.20636 
1 1 1 -1  20 21 o 220.520 20.536 136.505   24.000  175.976   40.371  114.931   29.847  243.622 31.657 197.853 28.998 45.76836       42.93073 
1 1 1 -1  20 23 o 247.661 22.205 174.557   29.171  166.703   35.100  192.094   52.452  237.994 28.047 243.629 41.653 -5.634842      50.21608 
1 1 1 -1  21 2  o 117.483 23.228 39.234    14.112  27.697    19.352  52.337    20.623  99.733  31.967 134.435 29.430 -34.70187      43.45127 
1 1 1 -1  21 4  o 143.854 21.083 57.835    15.778  77.174    21.362  34.623    23.403  165.444 24.852 110.490 35.127 54.95355       43.02919 
1 1 1 -1  21 6  o 322.282 18.194 284.067   31.307  306.333   52.723  271.940   38.910  329.144 30.215 313.312 23.331 15.83209       38.17432 
1 1 1 -1  21 8  o 150.139 19.952 62.728    15.663  58.003    23.015  66.803    21.377  140.913 31.280 152.848 27.077 -11.93439      41.37180 
1 1 1 -1  21 10 o 135.957 21.112 51.904    14.890  47.019    22.080  55.977    20.164  126.361 32.430 139.206 27.988 -12.84522      42.83734 
1 1 1 -1  21 12 o 119.727 32.693 42.295    21.576  42.295    21.576  0.0000    0.0000  119.727 32.693 ?       ?      0.000000       32.69325 
1 1 1 -1  21 14 o 310.400 18.380 264.963   30.451  295.209   37.954  210.320   51.015  326.033 21.839 266.584 36.664 59.44907       42.67559 
1 1 1 -1  21 16 o 216.955 22.011 131.922   25.248  121.481   30.418  155.046   45.269  205.201 28.411 225.967 38.762 -20.76619      48.05914 
1 1 1 -1  21 18 o 169.812 30.927 85.566    27.119  67.379    35.414  111.353   42.169  145.237 42.666 186.722 43.010 -41.48557      60.58241 
1 1 1 -1  21 20 o 119.523 36.523 44.365    25.564  40.457    33.898  49.519    38.927  116.505 42.183 125.939 45.258 -9.433968      61.86840 
1 1 1 -1  22 1  o 260.100 18.251 185.438   25.289  161.992   41.897  198.876   31.719  236.663 33.996 267.990 22.278 -31.32657      40.64549 
1 1 1 -1  22 3  o 215.167 20.072 127.835   22.887  123.692   37.306  130.336   28.982  205.739 35.080 215.362 25.603 -9.623352      43.42907 
1 1 1 -1  22 5  o 88.545  30.732 20.403    17.829  21.191    31.411  20.028    21.656  101.557 39.738 91.434  33.623 10.12241       52.05409 
1 1 1 -1  22 7  o 94.721  31.190 24.717    18.355  -8.4090   32.739  39.902    22.166  81.936  36.579 116.649 33.610 -34.71310      49.67536 
1 1 1 -1  22 9  o 177.353 21.917 87.992    20.396  89.275    26.388  86.087    32.145  176.049 28.966 169.674 36.426 6.374924       46.53861 
1 1 1 -1  22 11 o 184.699 19.204 94.610    18.738  94.569    26.346  94.652    26.656  181.391 27.992 181.324 28.348 0.6747437E-01  39.83915 
1 1 1 -1  22 13 o 133.494 23.469 50.965    16.184  54.123    24.403  48.486    21.623  134.096 33.919 127.512 31.751 6.583839       46.46097 
1 1 1 -1  22 15 o 107.685 29.731 34.408    17.729  38.078    32.869  32.903    21.055  115.625 41.583 105.751 33.284 9.873833       53.26363 
1 1 1 -1  23 2  o 83.353  27.617 18.823    14.382  30.790    19.192  3.4923    21.721  103.408 31.653 74.665  31.553 28.74277       44.69340 
1 1 1 -1  23 4  o 172.575 22.585 83.664    20.395  90.773    24.526  67.731    36.719  178.438 26.437 148.114 43.426 30.32324       50.84045 
1 1 1 -1  23 6  o 79.773  30.577 13.374    18.313  1.5729    24.556  28.162    27.489  77.027  33.080 104.229 37.949 -27.20114      50.34262 
1 1 1 0   0  2  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 0   0  4  o 1254.31 32.923 4240.35   221.055 4240.35   221.055 4240.35   221.055 1254.31 32.923 1254.31 32.923 0.000000       0.000000 
1 1 1 0   0  6  o 897.970 26.391 2172.26   126.805 2172.26   126.805 2172.26   126.805 897.970 26.391 897.970 26.391 0.000000       0.000000 
1 1 1 0   0  8  o 625.279 31.452 1060.19   104.830 1060.19   104.830 1060.19   104.830 625.279 31.452 625.279 31.452 0.000000       0.000000 
1 1 1 0   0  10 f 89.487  31.683 28.346    13.827  28.346    13.827  28.346    13.827  89.487  31.683 89.487  31.683 0.000000       0.000000 
1 1 1 0   0  12 o 191.674 17.985 101.320   18.108  101.320   18.108  101.320   18.108  191.674 17.985 191.674 17.985 0.000000       0.000000 
1 1 1 0   0  14 o 398.936 19.543 431.432   41.570  431.432   41.570  431.432   41.570  398.936 19.543 398.936 19.543 0.000000       0.000000 
1 1 1 0   0  16 o 156.734 19.784 69.165    15.904  69.165    15.904  69.165    15.904  156.734 19.784 156.734 19.784 0.000000       0.000000 
1 1 1 0   0  18 o 312.778 27.444 269.452   45.206  269.452   45.206  269.452   45.206  312.778 27.444 312.778 27.444 0.000000       0.000000 
1 1 1 0   0  20 o 219.684 19.699 132.675   22.772  132.675   22.772  132.675   22.772  219.684 19.699 219.684 19.699 0.000000       0.000000 
1 1 1 0   0  22 o 723.688 23.757 1411.84   91.950  1411.84   91.950  1411.84   91.950  723.688 23.757 723.688 23.757 0.000000       0.000000 
1 1 1 0   0  24 o 554.386 21.610 829.656   64.009  829.656   64.009  829.656   64.009  554.386 21.610 554.386 21.610 0.000000       0.000000 
1 1 1 0   0  26 o 88.739  35.816 29.498    16.632  29.498    16.632  29.498    16.632  88.739  35.816 88.739  35.816 0.000000       0.000000 
1 1 1 0   0  28 o 915.666 38.790 2286.42   189.649 2286.42   189.649 2286.42   189.649 915.666 38.790 915.666 38.790 0.000000       0.000000 
1 1 1 0   0  30 o 366.327 22.194 365.794   43.223  365.794   43.223  365.794   43.223  366.327 22.194 366.327 22.194 0.000000       0.000000 
1 1 1 0   0  32 o 65.327  41.910 2.7829    33.307  2.7829    33.307  2.7829    33.307  65.327  41.910 65.327  41.910 0.000000       0.000000 
1 1 1 0   0  34 o ?       ?      -75.8672  19.115  -75.8672  19.115  -75.8672  19.115  ?       ?      ?       ?      0.000000       0.000000 
1 1 1 0   0  36 o 588.051 23.749 948.543   74.597  948.543   74.597  948.543   74.597  588.051 23.749 588.051 23.749 0.000000       0.000000 
1 1 1 0   0  38 o 443.398 24.063 544.491   56.818  544.491   56.818  544.491   56.818  443.398 24.063 443.398 24.063 0.000000       0.000000 
1 1 1 0   0  40 o 103.835 51.634 48.855    34.818  48.855    34.818  48.855    34.818  103.835 51.634 103.835 51.634 0.000000       0.000000 
1 1 1 0   0  42 f 267.095 34.515 213.366   47.152  213.366   47.152  213.366   47.152  267.095 34.515 267.095 34.515 0.000000       0.000000 
1 1 1 0   0  44 o 63.763  45.176 -56.3058  64.201  -56.3058  64.201  -56.3058  64.201  63.763  45.176 63.763  45.176 0.000000       0.000000 
1 1 1 0   0  46 o 54.045  38.442 -48.2047  48.138  -48.2047  48.138  -48.2047  48.138  54.045  38.442 54.045  38.442 0.000000       0.000000 
1 1 1 0   1  1  o 1007.64 23.081 2730.46   124.691 2764.71   152.720 2661.97   215.956 1013.16 28.116 991.612 40.621 21.54572       49.40219 
1 1 1 0   1  3  o 245.734 14.749 162.671   19.342  152.986   33.514  167.508   23.684  236.864 26.866 249.093 17.853 -12.22853      32.25727 
1 1 1 0   1  5  o 170.144 12.347 78.089    11.186  70.060    15.812  86.134    15.827  160.393 18.741 178.304 16.753 -17.91106      25.13797 
1 1 1 0   1  7  o 326.321 15.086 285.957   26.394  276.651   45.698  290.616   32.332  319.231 26.953 328.310 18.443 -9.079163      32.65881 
1 1 1 0   1  9  o 242.788 14.472 158.927   18.752  169.829   22.993  137.275   32.403  250.719 17.210 223.736 27.599 26.98282       32.52475 
1 1 1 0   1  11 o 155.077 12.623 65.057    10.404  62.105    14.749  67.980    14.677  150.659 18.659 157.885 17.640 -7.226257      25.67799 
1 1 1 0   1  13 o 277.841 18.437 209.419   27.307  0.0000    0.0000  209.419   27.307  ?       ?      277.841 18.437 0.000000       18.43663 
1 1 1 0   1  15 o 231.126 12.804 144.218   15.804  156.765   22.409  131.803   22.291  240.288 17.515 219.939 19.093 20.34898       25.91043 
1 1 1 0   1  17 o 704.620 33.283 1358.20   125.732 1358.20   125.732 0.0000    0.0000  704.620 33.283 ?       ?      0.000000       33.28279 
1 1 1 0   1  19 o 891.377 21.438 2141.86   102.451 2235.62   125.502 1954.59   177.380 909.559 25.736 846.045 39.106 63.51392       46.81470 
1 1 1 0   1  21 o 436.459 14.074 511.770   32.933  495.802   46.465  527.888   46.683  429.100 20.198 442.819 19.664 -13.71884      28.18869 
1 1 1 0   1  23 o 637.175 18.374 1093.29   62.769  1138.60   108.886 1070.74   76.817  647.435 31.369 629.808 22.750 17.62622       38.75041 
1 1 1 0   1  25 o 485.405 14.710 634.037   38.280  624.653   54.232  643.356   54.042  480.839 21.037 488.053 20.654 -7.214111      29.48096 
1 1 1 0   1  27 o 480.567 17.581 623.429   45.298  645.217   78.368  612.497   55.510  484.686 30.311 475.450 21.777 9.235626       37.32249 
1 1 1 0   1  29 o 299.108 16.152 242.608   25.805  240.330   36.328  244.927   36.661  295.944 23.079 298.778 23.065 -2.834076      32.62867 
1 1 1 0   1  31 o 378.900 18.276 392.329   37.126  372.189   45.478  432.562   64.280  366.214 23.284 389.920 31.005 -23.70599      38.77425 
1 1 1 0   1  33 o 154.838 27.787 70.476    22.220  37.382    36.999  89.143    27.789  115.695 43.671 172.799 31.141 -57.10362      53.63717 
1 1 1 0   1  35 o 345.334 16.280 330.828   30.142  344.869   42.604  316.755   42.651  346.137 23.090 330.532 24.237 15.60501       33.47563 
1 1 1 0   1  37 o 84.631  33.021 19.336    21.641  27.438    26.762  4.0249    36.789  95.249  36.843 85.284  38.371 9.964561       53.19482 
1 1 1 0   1  39 o 73.621  30.872 12.551    20.535  12.334    30.154  12.739    28.043  80.086  35.466 79.040  34.631 1.046265       49.56928 
1 1 1 0   1  41 o 135.910 39.110 80.619    30.033  65.046    37.535  108.326   50.068  110.163 43.338 127.670 50.109 -17.50684      66.25013 
1 1 1 0   1  43 o 75.991  35.064 17.943    33.300  154.314   57.467  -50.9962  40.859  131.527 52.995 59.385  29.775 72.14160       60.78644 
1 1 1 0   1  45 o 141.867 52.722 200.540   53.504  97.748    72.879  320.711   78.799  81.323  40.623 130.379 57.555 -49.05582      70.44733 
1 1 1 0   2  0  o 1634.02 40.384 7193.46   353.781 6846.11   500.314 7540.84   500.330 1589.66 58.704 1669.19 55.909 -79.52576      81.06761 
1 1 1 0   2  2  o 1128.84 21.759 3426.07   131.688 3350.15   186.232 3502.00   186.239 1114.52 31.167 1139.65 30.481 -25.12976      43.59430 
1 1 1 0   2  4  o 99.824  14.222 27.286    7.3960  22.701    12.760  29.606    9.0761  90.564  25.303 103.659 16.915 -13.09512      30.43641 
1 1 1 0   2  6  f 428.893 13.888 493.828   31.934  486.193   45.169  501.458   45.153  425.241 19.812 431.885 19.501 -6.644318      27.79926 
1 1 1 0   2  8  o 606.127 17.802 987.909   57.849  986.227   70.830  991.278   100.255 605.137 21.832 604.476 31.040 0.6609497      37.94880 
1 1 1 0   2  10 o 336.729 15.063 304.929   27.193  259.699   33.301  395.450   47.111  309.715 20.165 381.953 23.115 -72.23758      30.67427 
1 1 1 0   2  12 o 261.865 14.862 185.245   20.780  166.778   35.976  194.491   25.455  245.997 27.764 267.900 17.825 -21.90364      32.99305 
1 1 1 0   2  14 o 306.362 15.226 253.039   25.009  250.063   43.470  254.511   30.575  301.532 27.182 306.251 18.712 -4.719879      32.99969 
1 1 1 0   2  16 o 746.799 19.632 1506.94   78.604  1475.49   136.085 1522.69   96.290  732.870 34.635 749.238 23.971 -16.36829      42.12124 
1 1 1 0   2  18 o 1134.82 21.635 3474.67   131.630 3417.74   186.139 3531.61   186.166 1121.69 30.952 1140.47 30.447 -18.77576      43.41743 
1 1 1 0   2  20 o 641.591 15.722 1106.42   54.082  1019.12   76.357  1194.31   76.609  614.795 23.166 665.816 21.461 -51.02051      31.57926 
1 1 1 0   2  22 o 532.435 17.327 762.669   49.462  757.068   85.461  765.491   60.653  527.682 30.336 532.940 21.228 -5.258850      37.02548 
1 1 1 0   2  24 o 300.866 20.195 245.301   32.386  241.490   45.687  249.151   45.915  296.795 29.086 301.583 28.745 -4.788422      40.89364 
1 1 1 0   2  26 o 408.093 16.932 449.027   37.045  456.108   64.158  445.486   45.373  407.891 29.539 405.334 20.951 2.557861       36.21412 
1 1 1 0   2  28 f 364.373 14.985 358.116   29.273  370.172   41.258  345.897   41.539  368.796 20.953 356.222 21.856 12.57404       30.27718 
1 1 1 0   2  30 o 571.558 18.419 889.460   56.441  887.421   69.146  893.531   97.703  568.638 22.681 562.938 32.511 5.700439       39.64056 
1 1 1 0   2  32 o 391.273 15.739 418.228   33.015  454.760   47.078  382.872   46.314  404.012 21.815 369.491 23.502 34.52118       32.06609 
1 1 1 0   2  34 f 106.141 36.331 34.037    24.880  96.740    35.461  -26.7504  34.915  173.054 39.138 72.967  34.394 100.0876       52.10294 
1 1 1 0   2  36 o 338.482 19.638 326.407   35.484  318.139   44.593  340.677   58.586  327.525 25.599 327.693 33.834 -0.1683044     42.42688 
1 1 1 0   2  38 o 135.536 34.164 64.057    24.817  64.757    30.238  62.612    43.441  130.333 39.699 120.092 46.804 10.24146       61.37228 
1 1 1 0   2  40 o 111.196 37.297 51.594    26.216  33.466    31.927  89.108    45.930  91.769  38.488 124.449 48.230 -32.67981      61.70497 
1 1 1 0   2  42 o 105.733 37.198 50.953    26.163  58.383    37.438  43.861    36.577  102.263 42.181 93.115  40.183 9.148468       58.25738 
1 1 1 0   2  44 o 94.947  41.537 67.035    40.206  91.385    63.041  50.339    52.201  90.828  43.739 83.083  39.957 7.744865       59.24173 
1 1 1 0   2  46 o 70.725  33.198 34.925    31.938  62.768    50.466  16.322    41.251  73.315  36.121 64.085  31.771 9.229782       48.10494 
1 1 1 0   3  1  o 1376.60 24.935 5101.22   184.027 5001.10   260.247 5201.34   260.259 1360.05 35.691 1387.24 34.993 -27.18933      49.98377 
1 1 1 0   3  3  o 1429.06 29.970 5509.50   229.622 5809.59   397.687 5359.42   281.238 1458.78 50.849 1407.02 37.282 51.76221       63.05226 
1 1 1 0   3  5  o 698.067 16.483 1309.12   61.688  1297.30   87.238  1320.95   87.242  694.136 23.442 700.461 23.231 -6.324951      33.00295 
1 1 1 0   3  7  o 789.325 19.831 1676.93   83.922  1601.81   102.746 1827.48   145.462 770.552 24.871 821.051 33.045 -50.49896      41.35885 
1 1 1 0   3  9  o 360.844 15.471 350.233   29.930  333.234   36.675  384.134   51.790  351.084 19.562 375.898 25.856 -24.81375      32.42218 
1 1 1 0   3  11 o 205.316 12.770 113.798   13.987  110.089   19.775  117.511   19.787  201.136 18.547 207.961 17.922 -6.824493      25.79124 
1 1 1 0   3  13 o 84.462  17.010 19.938    7.4361  20.749    9.0175  18.215    13.145  85.874  19.965 82.536  26.335 3.338470       33.04763 
1 1 1 0   3  15 o 472.632 14.293 601.414   36.218  620.322   51.259  582.562   51.182  479.020 19.959 464.090 20.570 14.92963       28.66201 
1 1 1 0   3  17 o 676.013 16.271 1229.83   58.973  1226.21   83.404  1233.46   83.397  673.686 23.092 675.690 23.021 -2.004578      32.60685 
1 1 1 0   3  19 f 569.030 21.480 872.329   65.530  872.329   65.530  0.0000    0.0000  569.030 21.480 ?       ?      0.000000       21.47991 
1 1 1 0   3  21 o 907.100 21.785 2217.36   105.945 2159.86   129.782 2332.22   183.429 893.984 27.078 925.749 36.958 -31.76447      45.81552 
1 1 1 0   3  23 o 386.601 15.963 402.114   33.087  348.682   56.547  429.933   40.801  357.198 29.800 399.441 19.052 -42.24387      35.36962 
1 1 1 0   3  25 o 485.257 17.010 634.599   44.255  588.270   76.198  658.181   54.363  463.429 30.845 493.590 20.543 -30.16098      37.05958 
1 1 1 0   3  27 o 291.476 15.163 229.610   23.613  246.388   33.338  212.719   33.450  300.919 20.792 279.124 22.545 21.79556       30.66901 
1 1 1 0   3  29 o 674.712 23.821 1246.27   86.167  1246.27   86.167  0.0000    0.0000  674.712 23.821 ?       ?      0.000000       23.82056 
1 1 1 0   3  31 f 70.751  26.709 10.723    13.841  5.1451    19.769  16.086    19.385  73.178  30.456 84.229  31.649 -11.05041      43.92300 
1 1 1 0   3  33 f 57.647  25.715 -4.5100   16.145  21.574    33.085  -12.6623  18.496  99.937  40.230 56.212  26.006 43.72455       47.90402 
1 1 1 0   3  35 o 146.976 27.526 65.344    20.893  83.133    40.273  58.793    24.439  152.166 45.696 135.562 33.755 16.60399       56.81193 
1 1 1 0   3  37 o 210.590 23.239 132.113   25.800  129.905   47.495  133.037   30.730  180.145 48.221 206.356 28.540 -26.21062      56.03432 
1 1 1 0   3  39 o 204.272 26.300 134.507   28.134  141.850   36.750  124.110   43.728  196.072 36.296 164.223 47.173 31.84953       59.52100 
1 1 1 0   3  41 o 110.474 36.181 51.526    24.711  78.741    38.825  32.994    32.038  120.112 44.857 89.194  38.030 30.91789       58.80883 
1 1 1 0   3  43 o 93.290  40.011 50.244    35.838  0.0000    0.0000  50.244    35.838  ?       ?      93.290  40.011 0.000000       40.01076 
1 1 1 0   3  45 o 94.821  38.893 64.670    31.609  39.520    49.795  81.644    40.908  74.122  36.391 93.501  41.362 -19.37885      55.09244 
1 1 1 0   4  0  o 495.639 20.251 659.596   53.811  648.425   76.090  670.774   76.111  490.146 29.086 498.607 28.591 -8.460236      40.78531 
1 1 1 0   4  2  o 402.356 15.645 434.848   33.749  427.789   58.463  438.376   41.331  397.289 27.619 403.786 19.092 -6.496643      33.57560 
1 1 1 0   4  4  o 560.019 21.174 844.229   63.573  828.035   89.970  860.378   89.843  552.569 30.488 563.423 29.849 -10.85419      42.66674 
1 1 1 0   4  6  o 242.538 18.046 159.146   23.298  161.448   33.047  156.871   32.851  243.156 25.741 239.603 25.990 3.553085       36.57975 
1 1 1 0   4  8  o 567.109 21.293 868.130   64.739  882.907   91.536  853.342   91.573  569.194 30.103 559.389 30.651 9.804749       42.96094 
1 1 1 0   4  10 o 170.243 13.019 78.409    11.793  77.432    16.682  79.385    16.674  168.334 18.805 170.514 18.538 -2.179306      26.40666 
1 1 1 0   4  12 o 129.911 19.291 46.600    13.028  0.0000    0.0000  46.600    13.028  ?       ?      129.911 19.291 0.000000       19.29072 
1 1 1 0   4  14 o 783.355 20.274 1658.98   85.146  1646.54   147.574 1665.19   104.248 773.646 35.579 783.169 24.828 -9.523376      43.38555 
1 1 1 0   4  16 o 224.959 13.079 136.456   15.706  140.855   22.278  132.111   22.145  227.932 18.387 220.623 18.905 7.309326       26.37195 
1 1 1 0   4  18 o 296.555 19.322 237.692   30.553  199.786   43.570  274.367   42.857  269.955 30.647 317.831 25.362 -47.87650      39.78011 
1 1 1 0   4  20 o 385.815 15.962 400.095   33.018  433.602   40.473  333.424   57.090  401.438 18.805 349.628 30.770 51.80966       36.06167 
1 1 1 0   4  22 o 252.735 15.898 172.472   21.431  168.113   26.495  180.721   36.449  248.976 20.018 257.068 26.842 -8.092026      33.48490 
1 1 1 0   4  24 o 593.092 17.931 948.100   57.017  981.835   98.613  931.159   69.882  599.637 30.778 586.918 22.208 12.71967       37.95384 
1 1 1 0   4  26 o 163.841 17.709 73.274    15.308  61.656    21.494  85.235    21.808  148.058 28.106 175.713 23.759 -27.65446      36.80257 
1 1 1 0   4  28 o 68.843  27.613 6.5135    15.525  22.220    18.711  -28.1899  27.812  92.708  31.507 65.605  30.854 27.10291       44.09862 
1 1 1 0   4  30 o 225.711 23.643 142.070   28.186  146.894   40.277  137.441   39.457  224.877 34.509 217.113 35.094 7.764633       49.21912 
1 1 1 0   4  32 o 129.998 27.632 49.789    18.665  70.484    34.299  41.082    22.248  148.963 41.438 116.588 33.694 32.37505       53.40757 
1 1 1 0   4  34 o 317.674 16.306 279.820   27.678  260.820   40.615  296.294   37.820  299.580 25.531 322.594 21.998 -23.01422      33.70083 
1 1 1 0   4  36 o 126.304 28.160 49.756    18.582  65.054    27.745  37.311    25.024  138.522 36.752 106.489 36.436 32.03230       51.75253 
1 1 1 0   4  38 o 122.908 32.565 52.694    21.802  86.509    37.520  35.455    26.790  143.190 44.329 99.098  37.212 44.09185       57.87713 
1 1 1 0   4  40 o 183.321 27.056 112.254   25.792  99.038    39.334  122.222   34.162  141.487 45.599 176.568 37.259 -35.08101      58.88510 
1 1 1 0   4  42 o 124.403 39.516 72.717    29.622  158.233   58.169  42.777    34.419  141.226 54.404 92.802  39.490 48.42373       67.22540 
1 1 1 0   4  44 o 43.259  22.030 -75.4948  28.338  -71.7097  58.138  -76.6743  32.454  61.731  31.448 46.780  23.799 14.95044       39.43879 
1 1 1 0   5  1  o 683.842 16.149 1257.23   59.208  1244.03   83.727  1270.43   83.737  679.233 22.992 686.443 22.753 -7.209717      32.34721 
1 1 1 0   5  3  o 889.743 18.399 2130.78   87.767  2109.00   124.122 2152.57   124.121 883.337 26.209 892.489 25.940 -9.151367      36.87548 
1 1 1 0   5  5  o 494.563 16.657 658.289   44.166  638.768   54.104  697.279   76.463  486.642 20.737 506.342 28.280 -19.70007      35.06832 
1 1 1 0   5  7  o 479.543 14.251 618.612   36.640  610.484   51.798  626.753   51.836  475.523 20.318 481.860 20.065 -6.336884      28.55535 
1 1 1 0   5  9  o 317.828 13.117 271.756   22.351  276.751   25.789  256.680   44.807  320.558 15.006 305.829 27.625 14.72922       31.43778 
1 1 1 0   5  11 o 143.987 14.288 56.371    10.884  44.934    18.627  62.300    13.412  125.939 28.279 151.053 16.848 -25.11416      32.91772 
1 1 1 0   5  13 o 882.440 21.472 2105.68   101.586 2124.09   176.027 2096.49   124.391 878.597 37.370 878.562 26.409 0.3558350E-01  45.75917 
1 1 1 0   5  15 o 442.092 13.953 525.317   33.070  561.553   46.699  488.867   46.838  456.557 19.079 425.821 20.516 30.73642       28.01626 
1 1 1 0   5  17 o 194.007 15.426 101.778   15.912  98.088    19.693  108.718   27.008  189.912 19.624 199.061 25.921 -9.149185      32.51213 
1 1 1 0   5  19 o 807.526 24.894 1758.94   107.778 1675.49   152.261 1842.73   152.580 785.446 36.158 824.185 34.531 -38.73822      49.99742 
1 1 1 0   5  21 o 878.289 21.439 2079.63   100.953 1997.27   174.686 2120.93   123.701 855.510 38.086 885.772 26.048 -30.26184      46.14154 
1 1 1 0   5  23 o 989.623 20.039 2642.06   106.319 2531.61   150.346 2752.54   150.370 965.353 29.049 1007.13 27.849 -41.77948      40.24176 
1 1 1 0   5  25 o 322.499 16.537 281.043   28.497  236.239   49.250  303.593   34.940  292.279 31.950 334.701 19.556 -42.42197      37.45995 
1 1 1 0   5  27 o 724.230 23.970 1428.73   93.070  1500.60   132.293 1358.31   130.957 736.664 33.496 699.956 34.897 36.70807       48.37154 
1 1 1 0   5  29 o 346.404 14.678 324.946   27.259  359.876   39.294  292.540   37.847  362.346 20.309 326.032 21.778 36.31418       29.77757 
1 1 1 0   5  31 o 698.055 19.557 1343.68   73.193  1416.24   127.655 1308.14   89.336  697.013 34.161 683.508 24.379 13.50555       41.96758 
1 1 1 0   5  33 o 97.405  26.462 28.263    14.178  42.025    21.540  17.741    18.834  116.641 32.976 83.938  31.263 32.70300       45.44052 
1 1 1 0   5  35 o 262.785 19.372 196.073   27.101  187.773   49.111  199.708   32.497  237.283 40.029 261.946 23.385 -24.66301      46.35957 
1 1 1 0   5  37 o 192.314 22.864 110.953   23.112  103.302   42.031  114.269   27.672  158.948 46.421 190.497 27.923 -31.54933      54.17237 
1 1 1 0   5  39 o 202.991 27.528 135.883   29.186  134.813   36.355  137.824   48.950  188.399 37.312 164.197 50.600 24.20204       62.86953 
1 1 1 0   5  41 o 68.458  31.781 0.6109    27.973  0.0000    0.0000  0.6109    27.973  ?       ?      68.458  31.781 0.000000       31.78070 
1 1 1 0   5  43 o 131.807 38.982 84.425    29.474  142.779   45.150  41.090    38.908  147.759 48.931 85.835  38.958 61.92377       62.54521 
1 1 1 0   5  45 o 81.402  39.912 93.063    59.258  0.0000    0.0000  93.063    59.258  ?       ?      81.402  39.912 0.000000       39.91177 
1 1 1 0   6  0  o 450.580 28.278 549.773   67.965  549.773   67.965  0.0000    0.0000  450.580 28.278 ?       ?      0.000000       28.27794 
1 1 1 0   6  2  o 318.097 13.079 271.999   22.305  269.596   31.525  274.408   31.564  315.687 18.710 318.522 18.564 -2.835693      26.35661 
1 1 1 0   6  4  o 628.091 18.137 1063.72   61.075  1051.73   105.852 1069.71   74.778  619.967 31.955 628.948 22.176 -8.981812      38.89612 
1 1 1 0   6  6  o 685.977 16.259 1268.01   59.796  1237.04   84.545  1299.00   84.583  675.692 23.338 692.581 22.779 -16.88885      32.61258 
1 1 1 0   6  8  o 274.231 17.997 203.831   26.313  180.241   36.921  228.180   37.510  255.897 27.335 288.935 24.444 -33.03783      36.66997 
1 1 1 0   6  10 o 353.609 15.798 336.883   29.951  347.199   36.642  316.115   51.988  358.060 19.157 339.391 28.845 18.66943       34.62710 
1 1 1 0   6  12 f 386.815 15.886 402.738   32.944  427.512   40.369  353.336   57.005  398.197 18.909 359.281 29.865 38.91614       35.34780 
1 1 1 0   6  14 o 539.587 17.124 783.208   49.538  797.706   60.707  754.314   85.701  544.107 20.811 526.706 30.480 17.40094       36.90642 
1 1 1 0   6  16 o 208.903 12.909 117.616   14.387  125.052   20.285  110.089   20.408  214.937 17.763 201.405 19.130 13.53166       26.10470 
1 1 1 0   6  18 o 693.042 18.883 1291.97   70.164  1311.47   85.768  1252.49   121.998 697.688 22.929 679.882 33.469 17.80603       40.57045 
1 1 1 0   6  20 o 262.310 16.033 185.697   22.439  210.777   38.780  173.073   27.513  278.049 26.328 252.644 20.489 25.40546       33.36093 
1 1 1 0   6  22 o 782.238 17.419 1647.78   73.053  1643.44   103.243 1652.13   103.383 779.415 24.707 781.483 24.675 -2.068604      34.91843 
1 1 1 0   6  24 o 390.715 14.303 410.786   29.961  418.160   42.628  403.586   42.119  392.936 20.304 385.986 20.426 6.949402       28.80087 
1 1 1 0   6  26 o 627.871 18.491 1066.09   62.246  1046.16   76.471  1105.22   107.158 620.497 22.987 634.031 31.524 -13.53412      39.01492 
1 1 1 0   6  28 o 491.812 17.413 656.718   45.914  691.601   80.709  640.027   55.827  497.470 30.407 483.909 21.518 13.56122       37.25103 
1 1 1 0   6  30 o 324.841 21.704 293.010   37.582  295.501   53.760  290.630   52.558  320.076 31.747 317.749 31.257 2.327332       44.55165 
1 1 1 0   6  32 o 189.846 18.308 100.557   18.403  106.606   28.535  96.249    24.080  190.299 28.875 182.548 25.283 7.751007       38.37966 
1 1 1 0   6  34 o 307.369 18.639 265.566   30.571  267.542   39.272  262.526   48.700  303.657 24.327 293.556 31.432 10.10040       39.74624 
1 1 1 0   6  36 o 244.362 25.777 180.749   33.261  0.0000    0.0000  180.749   33.261  ?       ?      244.362 25.777 0.000000       25.77737 
1 1 1 0   6  38 o 97.971  34.976 35.080    23.212  37.837    30.096  31.032    36.469  99.493  38.907 94.765  40.495 4.728119       56.15634 
1 1 1 0   6  40 o 232.676 26.901 179.574   32.939  190.559   41.474  160.805   54.210  224.986 35.565 166.988 53.501 57.99738       64.24377 
1 1 1 0   6  42 o 71.050  31.848 11.875    25.086  3.4058    41.916  16.602    31.313  74.593  35.856 76.293  34.751 -1.699966      49.93285 
1 1 1 0   6  44 f 68.572  32.569 14.112    32.448  102.086   63.161  -17.4315  37.821  88.554  42.920 60.919  30.239 27.63444       52.50262 
1 1 1 0   7  1  o 97.901  13.808 26.293    7.0463  27.499    9.9291  25.069    10.001  99.244  19.356 94.538  20.336 4.705170       28.07502 
1 1 1 0   7  3  o 259.802 14.960 182.338   20.750  193.646   36.196  176.802   25.324  265.835 25.718 255.269 18.633 10.56613       31.75844 
1 1 1 0   7  5  o 715.247 23.600 1386.56   90.499  1417.83   127.881 1355.18   128.091 719.442 33.154 702.984 33.986 16.45801       47.47897 
1 1 1 0   7  7  o 849.798 20.624 1951.43   93.965  1871.73   115.018 2111.36   162.936 830.379 25.836 877.589 34.630 -47.20917      43.20557 
1 1 1 0   7  9  o 159.932 12.498 69.155    10.631  82.564    15.080  55.908    14.989  174.372 16.321 142.566 20.174 31.80566       25.94905 
1 1 1 0   7  11 o 763.391 17.142 1568.09   70.160  1576.86   80.968  1541.67   140.563 765.053 19.740 752.516 34.841 12.53668       40.04416 
1 1 1 0   7  13 o 609.804 17.856 999.920   58.377  999.920   58.377  0.0000    0.0000  609.804 17.856 ?       ?      0.000000       17.85600 
1 1 1 0   7  15 o 474.024 16.524 603.784   41.993  585.416   51.342  640.904   72.988  466.456 20.530 486.485 28.104 -20.02899      34.80399 
1 1 1 0   7  17 o 430.164 16.315 497.270   37.625  503.315   45.814  484.746   65.946  432.519 19.757 422.555 29.290 9.964111       35.33078 
1 1 1 0   7  19 o 438.726 16.402 517.592   38.580  536.287   66.101  507.934   47.512  444.418 27.884 434.242 20.408 10.17636       34.55392 
1 1 1 0   7  21 o 599.519 15.578 966.879   50.072  952.373   70.640  981.529   70.988  593.936 22.184 603.002 21.958 -9.066345      31.21351 
1 1 1 0   7  23 o 426.310 16.575 489.567   37.883  482.704   46.353  503.372   65.742  422.774 20.450 429.271 28.731 -6.497040      35.26615 
1 1 1 0   7  25 o 354.651 16.641 339.442   31.641  273.851   54.310  373.146   38.931  313.979 32.745 370.847 19.651 -56.86798      38.18866 
1 1 1 0   7  27 o 509.230 17.498 703.492   47.771  690.421   58.707  729.106   82.184  502.840 21.777 511.715 30.089 -8.874847      37.14223 
1 1 1 0   7  29 o 374.048 14.882 380.212   29.844  412.657   42.778  349.445   41.657  386.727 20.707 355.141 21.986 31.58566       30.20240 
1 1 1 0   7  31 o 149.754 20.755 63.430    16.216  48.844    24.959  74.083    21.330  126.047 35.450 159.974 25.743 -33.92691      43.81079 
1 1 1 0   7  33 o 146.272 32.107 66.265    24.488  42.396    43.229  77.544    29.716  118.798 46.581 155.854 36.248 -37.05608      59.02257 
1 1 1 0   7  35 o 102.089 30.908 33.229    18.370  14.868    43.626  37.186    20.253  96.947  42.809 107.148 32.457 -10.20078      53.72223 
1 1 1 0   7  37 o 134.091 35.780 65.114    26.199  0.0000    0.0000  65.114    26.199  ?       ?      134.091 35.780 0.000000       35.77973 
1 1 1 0   7  39 o 90.065  31.728 28.890    19.040  21.565    30.255  33.693    24.500  84.837  36.579 94.375  35.557 -9.537750      51.01303 
1 1 1 0   7  41 o 204.160 33.045 155.870   34.934  129.715   47.222  187.490   51.922  147.995 50.055 186.546 50.623 -38.55022      71.19121 
1 1 1 0   7  43 o 111.558 35.959 59.888    24.461  77.366    44.117  52.131    29.392  98.620  43.317 95.887  38.150 2.733665       57.72193 
1 1 1 0   8  0  o 865.026 25.885 2017.16   120.047 2024.49   169.822 2009.84   169.723 864.164 36.654 861.002 36.768 3.162048       51.91720 
1 1 1 0   8  2  o 362.445 15.506 353.540   30.131  382.156   52.132  339.184   36.924  374.597 26.121 354.074 19.526 20.52310       32.61275 
1 1 1 0   8  4  o 214.346 14.935 124.179   17.056  128.202   20.878  116.105   29.575  217.401 18.076 205.139 27.590 12.26236       32.98460 
1 1 1 0   8  6  o 784.825 17.148 1657.83   72.152  1711.51   102.078 1604.23   101.999 795.916 23.922 770.370 24.696 25.54541       34.38231 
1 1 1 0   8  8  o 573.218 14.958 883.092   45.968  849.849   64.961  916.432   65.056  561.541 21.578 583.233 20.805 -21.69275      29.97429 
1 1 1 0   8  10 o 790.933 19.578 1683.02   83.021  1797.26   101.801 1456.15   143.454 816.734 23.249 732.431 36.532 84.30341       43.30238 
1 1 1 0   8  12 o 52.873  18.755 6.4668    6.6639  5.0991    7.9468  9.7069    12.231  52.804  20.165 68.190  25.235 -15.38624      32.30212 
1 1 1 0   8  14 o 933.013 19.089 2340.58   95.485  2325.05   110.183 2387.43   191.354 929.435 22.112 938.122 38.046 -8.687012      44.00476 
1 1 1 0   8  16 o 393.795 19.976 418.332   42.036  528.637   59.300  306.925   59.596  442.057 25.125 334.958 33.641 107.1000       41.98755 
1 1 1 0   8  18 o 220.806 13.622 131.473   16.047  122.758   18.504  157.905   32.226  213.046 16.325 240.501 25.376 -27.45459      30.17317 
1 1 1 0   8  20 o 709.939 16.669 1356.40   63.444  1429.48   89.716  1283.29   89.731  727.527 23.001 689.027 24.290 38.49939       33.45267 
1 1 1 0   8  22 o 276.457 16.118 206.489   23.786  212.528   28.821  193.590   42.123  280.015 19.316 265.022 30.185 14.99280       35.83590 
1 1 1 0   8  24 o 145.220 20.612 58.205    15.598  26.128    25.350  77.746    19.786  103.380 36.589 167.840 22.560 -64.46021      42.98463 
1 1 1 0   8  26 o 430.211 17.063 501.638   39.357  653.923   69.247  428.973   47.834  486.706 26.639 395.579 22.648 91.12671       34.96534 
1 1 1 0   8  28 o 313.671 15.109 267.265   25.408  271.901   36.558  262.934   35.338  313.423 21.894 308.357 21.510 5.066101       30.69257 
1 1 1 0   8  30 o 189.310 21.575 100.857   21.506  104.228   27.167  95.200    35.197  189.798 27.499 175.406 38.485 14.39166       47.30001 
1 1 1 0   8  32 o 281.315 32.369 238.479   47.930  0.0000    0.0000  238.479   47.930  ?       ?      281.315 32.369 0.000000       32.36899 
1 1 1 0   8  34 o 278.682 20.005 221.569   29.691  260.273   37.407  155.668   48.812  298.750 23.546 209.700 44.778 89.05000       50.59140 
1 1 1 0   8  36 o 225.894 25.944 157.763   30.850  0.0000    0.0000  157.763   30.850  ?       ?      225.894 25.944 0.000000       25.94371 
1 1 1 0   8  38 o 127.366 33.622 58.739    23.296  55.989    54.516  59.353    25.767  107.836 47.724 124.908 36.309 -17.07119      59.96601 
1 1 1 0   8  40 o 69.969  33.350 -9.5587   34.633  -9.5587   34.633  0.0000    0.0000  69.969  33.350 ?       ?      0.000000       33.34978 
1 1 1 0   8  42 o 165.450 35.223 113.729   30.286  139.241   62.088  105.763   34.693  116.436 51.260 144.030 42.207 -27.59401      66.39979 
1 1 1 0   9  1  o 432.205 16.047 502.101   37.184  537.360   64.666  484.683   45.450  445.186 27.224 424.329 19.978 20.85773       33.76804 
1 1 1 0   9  3  o 628.224 18.034 1061.43   60.739  1114.06   105.384 1035.25   74.326  641.639 30.635 619.884 22.365 21.75519       37.92973 
1 1 1 0   9  5  o 618.374 17.864 1028.02   59.225  1060.05   102.755 1012.08   72.474  626.187 30.607 613.099 22.049 13.08813       37.72207 
1 1 1 0   9  7  o 639.706 22.208 1101.42   76.167  1136.21   108.048 1067.04   107.389 648.483 31.077 627.487 32.028 20.99628       44.62756 
1 1 1 0   9  9  o 581.602 17.702 908.927   55.196  859.000   95.622  933.876   67.595  563.033 31.808 589.207 21.398 -26.17365      38.33562 
1 1 1 0   9  11 o 329.957 15.559 292.384   27.524  265.781   47.944  305.462   33.616  312.574 28.938 336.603 18.701 -24.02826      34.45502 
1 1 1 0   9  13 o 530.991 30.047 763.822   85.187  0.0000    0.0000  763.822   85.187  ?       ?      530.991 30.047 0.000000       30.04695 
1 1 1 0   9  15 o 809.713 20.451 1764.76   88.781  1740.42   108.644 1813.68   154.031 803.252 25.228 817.597 35.140 -14.34467      43.25797 
1 1 1 0   9  17 o 881.155 18.582 2089.81   87.782  2072.82   101.276 2141.12   176.012 876.957 21.541 886.593 37.030 -9.636047      42.83903 
1 1 1 0   9  19 o 824.057 20.516 1831.05   90.640  1831.05   90.640  0.0000    0.0000  824.057 20.516 ?       ?      0.000000       20.51602 
1 1 1 0   9  21 o 357.564 16.022 344.242   30.714  370.463   37.869  293.835   52.506  370.097 19.151 327.176 30.277 42.92163       35.82520 
1 1 1 0   9  23 o 482.410 17.189 628.290   44.457  731.246   77.114  577.035   54.410  516.731 27.939 461.273 22.001 55.45789       35.56199 
1 1 1 0   9  25 o 221.661 18.084 134.187   21.303  149.508   36.937  126.550   26.078  230.305 30.678 213.963 23.100 16.34166       38.40215 
1 1 1 0   9  27 o 724.756 17.100 1431.33   66.443  1544.65   94.239  1319.31   93.692  747.510 23.515 689.140 25.358 58.36981       34.58328 
1 1 1 0   9  29 o 227.144 19.717 143.445   23.773  154.583   29.650  123.397   39.779  233.913 23.982 200.999 38.313 32.91411       45.19960 
1 1 1 0   9  31 o 289.975 18.330 233.994   28.351  276.363   35.747  162.167   46.544  313.171 21.419 226.376 39.803 86.79488       45.20032 
1 1 1 0   9  33 o 78.397  31.877 11.856    21.003  -13.7566  31.982  31.277    27.850  74.047  34.236 102.306 38.034 -28.25932      51.17300 
1 1 1 0   9  35 o 164.017 30.928 87.191    26.199  0.0000    0.0000  87.191    26.199  ?       ?      164.017 30.928 0.000000       30.92769 
1 1 1 0   9  37 o 85.970  32.283 23.861    20.163  34.868    39.679  20.029    23.411  99.069  42.284 83.224  33.722 15.84496       54.08446 
1 1 1 0   9  39 o 63.926  30.148 -10.6970  26.892  11.620    41.914  -26.3108  35.059  84.063  38.981 65.682  31.868 18.38084       50.34974 
1 1 1 0   9  41 o 91.540  36.820 38.057    27.689  -8.8466   67.820  47.439    30.332  79.536  39.645 98.167  38.851 -18.63106      55.50743 
1 1 1 0   9  43 o 73.318  33.194 24.165    28.036  56.695    69.790  17.905    30.615  78.911  39.469 70.252  32.824 8.659126       51.33430 
1 1 1 0   10 0  o 1458.52 52.537 5757.52   410.814 5757.52   410.814 0.0000    0.0000  1458.52 52.537 ?       ?      0.000000       52.53655 
1 1 1 0   10 2  o 528.105 14.794 748.761   41.887  743.825   59.265  753.689   59.211  525.953 21.017 529.441 20.860 -3.487732      29.61193 
1 1 1 0   10 4  o 1171.91 25.399 3697.97   159.583 3831.17   195.532 3432.24   276.173 1191.64 30.606 1123.41 45.854 68.23169       55.12950 
1 1 1 0   10 6  o 1159.69 21.975 3617.24   136.632 3509.81   193.208 3724.71   193.245 1140.31 31.603 1174.94 30.678 -34.62378      44.04408 
1 1 1 0   10 8  o 536.340 14.526 772.277   41.770  790.485   59.118  754.127   59.024  542.236 20.336 529.584 20.789 12.65198       29.08111 
1 1 1 0   10 10 o 1168.08 22.055 3671.22   138.117 3675.92   195.323 3666.52   195.332 1166.65 31.228 1165.14 31.270 1.504517       44.19253 
1 1 1 0   10 12 f 699.280 16.599 1314.02   62.230  1307.17   87.978  1320.89   88.035  696.593 23.557 700.255 23.449 -3.662354      33.23873 
1 1 1 0   10 14 o 363.290 13.673 354.473   26.630  378.918   37.594  329.854   37.728  375.295 18.684 349.471 20.223 25.82352       27.53308 
1 1 1 0   10 16 o 288.874 13.660 224.196   21.157  219.886   24.346  237.489   42.758  285.525 15.968 295.100 27.336 -9.575134      31.65829 
1 1 1 0   10 18 o 880.459 21.453 2091.49   101.269 2091.49   101.269 0.0000    0.0000  880.459 21.453 ?       ?      0.000000       21.45347 
1 1 1 0   10 20 o 459.382 14.674 567.873   36.141  554.485   41.673  608.504   72.594  453.620 17.135 472.124 28.818 -18.50391      33.52729 
1 1 1 0   10 22 o 100.292 24.096 28.444    12.795  23.003    15.389  40.626    23.027  91.746  28.388 119.773 34.178 -28.02694      44.42967 
1 1 1 0   10 24 o 434.125 16.948 510.850   39.447  530.143   48.299  472.200   68.362  441.148 20.421 410.915 31.265 30.23285       37.34361 
1 1 1 0   10 26 o 342.113 17.058 318.811   31.287  332.622   38.942  293.669   52.544  347.439 21.005 321.355 30.878 26.08392       37.34504 
1 1 1 0   10 28 o 470.633 32.986 644.271   82.705  644.271   82.705  0.0000    0.0000  470.633 32.986 ?       ?      0.000000       32.98626 
1 1 1 0   10 30 o 468.756 15.223 602.269   38.257  701.379   55.416  512.019   52.881  501.277 20.620 425.469 23.271 75.80759       31.09193 
1 1 1 0   10 32 o 355.352 17.608 352.213   33.546  443.366   42.973  210.005   53.675  395.710 20.324 252.169 41.119 143.5406       45.86755 
1 1 1 0   10 34 o 320.876 18.577 294.342   31.821  371.901   59.851  263.778   37.571  338.583 33.407 297.962 23.716 40.62119       40.96860 
1 1 1 0   10 36 o 95.550  32.086 30.840    19.402  4.3336    32.480  45.546    24.193  79.373  35.850 112.321 35.715 -32.94832      50.60424 
1 1 1 0   10 38 o 88.723  35.991 26.250    26.701  27.936    37.288  24.476    38.251  92.469  40.237 90.748  40.078 1.721016       56.79124 
1 1 1 0   10 40 o 267.676 28.588 248.627   40.391  297.282   57.913  202.543   56.363  259.611 43.122 187.684 53.442 71.92741       68.66958 
1 1 1 0   10 42 o 138.556 39.776 97.387    31.098  105.612   79.349  95.895    33.802  89.531  44.328 129.374 42.313 -39.84361      61.28092 
1 1 1 0   11 1  o 1058.43 23.917 3014.65   135.719 3061.62   166.248 2920.79   234.995 1065.67 29.098 1037.62 42.243 28.04773       51.29446 
1 1 1 0   11 3  o 735.574 16.774 1453.22   66.152  1416.80   93.531  1489.67   93.576  725.562 24.044 744.057 23.458 -18.49561      33.59159 
1 1 1 0   11 5  o 1017.38 23.326 2785.51   127.229 2625.37   220.193 2865.77   155.885 983.485 41.760 1031.01 28.202 -47.52112      50.39102 
1 1 1 0   11 7  o 1039.34 20.453 2905.16   113.971 2995.98   161.254 2814.49   161.106 1053.85 28.540 1021.23 29.425 32.62085       40.99248 
1 1 1 0   11 9  o 572.333 17.486 880.383   53.656  852.690   92.735  894.319   65.785  560.868 30.960 576.483 21.285 -15.61548      37.57063 
1 1 1 0   11 11 o 514.513 14.744 711.111   40.670  713.642   57.507  708.578   57.525  514.895 20.832 513.057 20.913 1.838257       29.51824 
1 1 1 0   11 13 o 562.057 15.327 848.987   46.186  837.329   65.305  860.655   65.329  557.458 21.851 565.207 21.559 -7.749817      30.69582 
1 1 1 0   11 15 o 691.314 19.053 1286.82   70.619  1243.70   86.420  1373.50   122.514 678.800 23.747 711.319 32.126 -32.51880      39.94936 
1 1 1 0   11 17 o 230.057 14.331 142.852   17.588  140.518   20.238  150.050   35.548  227.884 16.681 233.421 29.033 -5.536484      33.48392 
1 1 1 0   11 19 o 827.450 20.809 1850.73   92.314  1928.64   113.031 1694.66   159.978 843.136 25.005 784.204 38.050 58.93243       45.53121 
1 1 1 0   11 21 f 732.120 19.645 1452.51   77.108  1583.60   94.446  1190.45   133.532 762.875 23.092 651.977 38.371 110.8982       44.78332 
1 1 1 0   11 23 o 124.642 19.120 43.198    12.369  47.149    14.574  33.022    23.389  129.721 21.723 109.110 35.162 20.61135       41.33082 
1 1 1 0   11 25 o 565.987 15.011 869.453   45.549  909.843   52.712  750.404   90.498  577.972 17.011 512.875 33.089 65.09637       37.20533 
1 1 1 0   11 27 o 384.983 16.015 404.711   33.056  419.946   40.814  375.663   56.357  390.444 19.498 362.286 29.265 28.15790       35.16507 
1 1 1 0   11 29 o 372.490 17.995 383.153   35.937  406.018   43.992  337.289   62.306  380.424 21.659 334.668 35.255 45.75577       41.37687 
1 1 1 0   11 31 o 336.848 17.827 317.048   32.079  348.740   56.094  301.646   39.105  339.706 31.146 324.569 22.614 15.13705       38.49004 
1 1 1 0   11 33 o 98.940  30.159 31.202    17.447  54.455    28.722  17.605    21.964  124.476 38.826 83.474  33.052 41.00115       50.98914 
1 1 1 0   11 35 f 231.538 22.278 159.595   27.313  209.961   52.959  141.344   31.880  236.945 43.284 210.939 28.954 26.00612       52.07544 
1 1 1 0   11 37 o 94.933  35.072 31.679    23.607  -6.5264   54.966  40.320    26.140  87.057  41.638 103.818 37.110 -16.76084      55.77540 
1 1 1 0   11 39 o 209.117 24.225 140.488   26.656  148.076   45.249  136.455   32.988  175.698 47.083 193.550 32.972 -17.85199      57.48015 
1 1 1 0   11 41 o 123.712 45.778 99.802    40.252  159.304   80.758  80.134    46.431  104.976 50.277 102.349 44.709 2.627869       67.28088 
1 1 1 0   12 0  o 1976.15 47.715 10562.95  505.532 11008.64  715.010 10117.46  714.851 2009.02 66.383 1924.51 69.283 84.50842       95.95190 
1 1 1 0   12 2  o 1085.08 21.080 3167.43   122.633 3184.18   173.419 3150.67   173.439 1086.02 29.784 1080.25 29.947 5.769897       42.23651 
1 1 1 0   12 4  o 1985.92 48.339 10777.50  514.668 11138.06  727.973 10417.17  727.728 2000.44 67.876 1932.08 70.254 68.35852       97.68755 
1 1 1 0   12 6  o 262.074 15.698 185.171   21.955  169.538   26.755  217.403   38.417  250.242 20.112 282.831 25.613 -32.58826      32.56617 
1 1 1 0   12 8  o 652.545 18.509 1145.14   64.753  1110.24   79.180  1215.60   112.513 641.964 23.006 670.321 31.308 -28.35760      38.85131 
1 1 1 0   12 10 o 534.453 17.310 768.048   49.600  756.237   60.630  791.947   86.244  529.907 21.341 540.269 29.891 -10.36224      36.72759 
1 1 1 0   12 12 o 277.466 19.616 208.298   28.992  208.298   28.992  0.0000    0.0000  277.466 19.616 ?       ?      0.000000       19.61554 
1 1 1 0   12 14 o 630.864 18.554 1071.71   62.753  1097.00   76.748  1020.71   109.000 637.596 22.452 611.722 33.361 25.87299       40.21275 
1 1 1 0   12 16 o 180.889 18.107 89.055    17.324  100.188   20.929  64.825    30.876  191.555 20.709 150.833 38.154 40.72189       43.41213 
1 1 1 0   12 18 o 520.843 17.299 732.113   48.307  736.563   59.069  723.127   83.938  521.565 21.124 513.111 30.653 8.453613       37.22651 
1 1 1 0   12 20 o 388.186 14.256 406.552   29.670  422.941   34.293  357.765   59.166  395.570 16.170 358.642 31.078 36.92761       35.03334 
1 1 1 0   12 22 o 86.748  22.720 21.370    10.692  17.378    13.017  29.649    18.746  80.529  26.254 102.550 31.263 -22.02126      40.82441 
1 1 1 0   12 24 o 143.790 30.642 60.293    22.899  60.293    22.899  0.0000    0.0000  143.790 30.642 ?       ?      0.000000       30.64169 
1 1 1 0   12 26 o 315.914 17.625 274.255   29.733  301.247   37.602  229.221   48.569  329.251 21.418 280.294 32.949 48.95761       39.29881 
1 1 1 0   12 28 o 296.844 17.711 243.724   28.058  241.830   33.840  247.889   50.186  293.466 21.661 288.827 33.002 4.638672       39.47625 
1 1 1 0   12 30 o 61.453  24.105 7.3169    11.580  10.447    12.434  -13.1642  31.806  67.159  25.325 74.859  34.443 -7.700775      42.75092 
1 1 1 0   12 32 f 492.707 19.150 689.833   50.586  737.293   62.510  599.774   86.110  502.775 23.190 424.304 38.265 78.47092       44.74382 
1 1 1 0   12 34 o 110.503 47.044 41.797    48.887  41.797    48.887  0.0000    0.0000  110.503 47.044 ?       ?      0.000000       47.04366 
1 1 1 0   12 36 o 113.352 34.288 45.639    22.613  94.219    34.917  10.544    29.678  156.367 41.108 80.754  35.498 75.61369       54.31330 
1 1 1 0   12 38 o 77.423  34.825 10.395    30.280  0.0000    0.0000  10.395    30.280  ?       ?      77.423  34.825 0.000000       34.82473 
1 1 1 0   13 1  f 616.859 22.279 1024.65   73.680  0.0000    0.0000  1024.65   73.680  ?       ?      616.859 22.279 0.000000       22.27889 
1 1 1 0   13 3  o 663.562 16.172 1183.20   57.533  1184.51   81.359  1181.88   81.369  663.126 22.884 662.386 22.913 0.7401733      32.38355 
1 1 1 0   13 5  o 534.169 17.268 767.085   49.453  747.939   60.416  805.956   86.086  527.059 21.381 545.252 29.559 -18.19275      36.48128 
1 1 1 0   13 7  o 842.852 18.033 1910.67   81.489  1906.38   115.248 1914.96   115.237 840.497 25.576 842.401 25.515 -1.904053      36.12688 
1 1 1 0   13 9  o 912.986 26.875 2252.50   131.547 2182.79   186.063 2322.17   186.007 894.873 38.782 923.472 37.570 -28.59839      53.99535 
1 1 1 0   13 11 o 659.351 16.261 1169.35   57.482  1122.68   81.203  1216.22   81.383  644.879 23.487 671.378 22.610 -26.49957      32.60089 
1 1 1 0   13 13 o 963.235 19.787 2502.28   102.183 2431.88   144.515 2572.67   144.503 946.532 28.478 973.882 27.676 -27.34985      39.71065 
1 1 1 0   13 15 o 438.316 14.471 517.191   34.006  509.645   48.251  524.638   47.935  434.145 20.730 440.563 20.294 -6.418518      29.01008 
1 1 1 0   13 17 o 577.995 17.717 903.142   54.903  934.320   67.282  841.008   94.981  586.760 21.388 551.554 32.261 35.20667       38.70640 
1 1 1 0   13 19 o 303.659 14.036 248.917   22.851  261.429   26.641  214.082   44.452  310.460 16.060 276.549 30.488 33.91071       34.45915 
1 1 1 0   13 21 o 469.638 14.582 596.950   36.717  622.657   42.586  522.490   72.476  478.972 16.584 430.835 31.597 48.13727       35.68503 
1 1 1 0   13 23 o 82.637  29.484 16.971    16.493  49.490    29.656  2.4094    19.845  129.144 39.310 71.023  30.094 58.12120       49.50693 
1 1 1 0   13 25 o 331.099 18.417 301.767   32.563  298.904   39.743  307.616   56.800  327.265 22.794 325.165 33.041 2.100281       40.14030 
1 1 1 0   13 27 o 287.033 17.626 227.835   26.993  225.067   32.267  234.289   49.265  283.239 21.407 280.430 33.426 2.808838       39.69350 
1 1 1 0   13 29 o 113.736 23.690 38.209    13.976  27.083    15.260  96.105    34.812  94.827  28.051 171.786 38.724 -76.95909      47.81628 
1 1 1 0   13 31 o 243.534 18.027 167.725   23.370  180.610   26.685  125.319   48.412  251.297 19.972 181.736 48.701 69.56154       52.63657 
1 1 1 0   13 33 o 109.634 30.793 38.953    18.846  23.892    21.606  86.858    38.534  89.773  33.476 151.347 44.519 -61.57407      55.70037 
1 1 1 0   13 35 o 78.940  30.735 17.119    18.718  23.220    21.147  -4.9574   40.226  86.986  32.972 81.513  37.931 5.472336       50.25868 
1 1 1 0   13 37 o 274.334 56.281 378.091   80.002  378.091   80.002  0.0000    0.0000  274.334 56.281 ?       ?      0.000000       56.28128 
1 1 1 0   14 0  o 2035.08 49.185 11247.14  536.644 10824.90  758.834 11669.60  759.025 1982.41 71.397 2060.34 68.714 -77.93018      99.09203 
1 1 1 0   14 2  o 1470.73 26.430 5842.70   208.402 5731.64   294.724 5953.76   294.725 1450.89 37.889 1479.16 37.165 -28.27954      53.07333 
1 1 1 0   14 4  o 455.783 16.710 558.655   40.833  536.151   70.767  569.887   49.996  443.979 29.904 459.996 20.272 -16.01721      36.12823 
1 1 1 0   14 6  o 1185.71 32.058 3816.61   203.793 3686.01   288.353 3946.95   288.060 1157.28 46.475 1198.63 44.826 -41.34814      64.56973 
1 1 1 0   14 8  o 338.306 19.681 309.487   35.543  329.714   51.109  290.542   49.462  347.802 27.637 326.162 28.574 21.64008       39.75251 
1 1 1 0   14 10 o 977.391 19.836 2577.47   103.941 2593.02   147.025 2561.93   146.963 977.178 28.064 971.232 28.224 5.945984       39.80151 
1 1 1 0   14 12 o 681.119 16.461 1250.49   60.112  1232.57   85.044  1268.37   84.979  674.298 23.524 684.133 23.169 -9.834961      33.01805 
1 1 1 0   14 14 o 326.544 16.171 287.746   28.311  298.150   48.597  282.401   34.832  329.172 27.797 322.275 20.263 6.897644       34.39853 
1 1 1 0   14 16 o 356.699 13.795 343.135   26.381  375.016   37.891  313.139   36.753  371.408 19.093 338.979 20.317 32.42841       27.88067 
1 1 1 0   14 18 o 81.954  30.426 14.855    17.810  -19.8756  34.041  27.946    20.899  78.619  35.973 101.447 33.275 -22.82757      49.00286 
1 1 1 0   14 20 o 136.795 29.697 54.118    21.155  54.118    21.155  0.0000    0.0000  136.795 29.697 ?       ?      0.000000       29.69670 
1 1 1 0   14 22 o 250.723 18.985 172.953   25.331  176.813   31.332  165.669   43.039  251.841 23.476 238.464 34.680 13.37694       41.87904 
1 1 1 0   14 24 o 66.525  24.084 10.539    11.049  10.404    11.810  11.491    31.289  67.332  24.819 92.456  38.384 -25.12449      45.70908 
1 1 1 0   14 26 o 155.179 19.276 67.670    15.692  61.677    17.253  96.358    37.746  146.780 22.654 173.622 41.174 -26.84277      46.99469 
1 1 1 0   14 28 o 173.784 20.182 85.899    18.453  85.489    20.695  87.489    40.764  171.921 23.031 158.411 45.559 13.51053       51.04994 
1 1 1 0   14 30 o 259.137 23.446 195.424   32.221  195.424   32.221  0.0000    0.0000  259.137 23.446 ?       ?      0.000000       23.44566 
1 1 1 0   14 32 o 265.914 20.063 203.031   28.393  217.557   33.821  168.352   52.255  272.113 23.410 212.934 47.029 59.17897       52.53349 
1 1 1 0   14 34 o 189.675 21.999 106.929   21.955  100.496   25.598  124.826   42.700  179.111 27.539 179.769 44.534 -0.6580505     52.36086 
1 1 1 0   14 36 o 130.686 32.067 60.029    22.299  36.006    25.517  137.669   45.873  98.224  36.428 175.371 47.580 -77.14703      59.92355 
1 1 1 0   15 1  o 657.517 18.615 1165.21   65.621  1172.69   80.430  1150.34   113.488 658.740 22.774 648.873 32.728 9.866516       39.87196 
1 1 1 0   15 3  o 744.783 19.737 1496.40   78.808  1484.47   96.529  1520.22   136.475 740.604 24.311 746.027 34.121 -5.423157      41.89623 
1 1 1 0   15 5  o 331.962 14.157 296.445   25.195  295.770   35.367  297.142   35.902  330.405 20.060 331.127 20.322 -0.7214050     28.55500 
1 1 1 0   15 7  o 510.382 14.979 701.338   40.988  704.306   57.825  698.340   58.107  510.362 21.133 508.155 21.329 2.207031       30.02525 
1 1 1 0   15 9  o 277.092 16.063 207.694   23.760  218.285   29.470  188.023   40.163  283.498 19.508 260.823 29.224 22.67484       35.13703 
1 1 1 0   15 11 f 351.751 16.239 333.952   30.625  326.408   52.571  337.828   37.678  344.138 28.757 352.614 20.013 -8.475220      35.03526 
1 1 1 0   15 13 f 405.580 16.372 444.562   35.599  459.894   61.223  436.731   43.757  408.394 28.134 400.583 20.442 7.810852       34.77620 
1 1 1 0   15 15 o 185.642 15.850 93.875    15.624  106.036   23.020  83.489    21.274  195.949 22.310 173.287 23.505 22.66225       32.40710 
1 1 1 0   15 17 o 175.896 18.268 84.974    16.976  87.414    21.966  81.354    26.751  177.018 23.744 168.524 30.740 8.493912       38.84230 
1 1 1 0   15 19 o 145.647 29.832 61.324    22.511  79.876    39.770  52.577    27.307  161.965 44.452 133.379 36.927 28.58592       57.78920 
1 1 1 0   15 21 o 241.426 15.525 159.118   19.988  143.728   22.532  215.961   43.302  228.511 18.552 275.276 29.817 -46.76515      35.11760 
1 1 1 0   15 23 o 350.626 16.957 336.595   31.877  312.411   37.876  395.324   59.023  335.241 21.182 370.909 29.936 -35.66736      36.67235 
1 1 1 0   15 25 o 329.217 20.652 303.493   36.266  303.493   36.266  0.0000    0.0000  329.217 20.652 ?       ?      0.000000       20.65153 
1 1 1 0   15 27 o 77.108  26.763 16.227    13.522  12.853    14.714  34.554    34.293  73.346  27.571 109.569 41.879 -36.22276      50.13971 
1 1 1 0   15 29 o 116.441 28.970 41.801    18.012  46.257    20.997  29.382    35.050  121.198 31.884 104.272 41.605 16.92571       52.41769 
1 1 1 0   15 31 o 113.161 28.828 40.125    17.538  38.942    20.046  43.989    36.217  110.107 32.030 114.315 43.193 -4.208313      53.77353 
1 1 1 0   15 33 o 130.541 30.606 55.619    21.048  52.999    23.873  64.767    44.604  124.278 34.570 125.171 47.781 -0.8928528     58.97557 
1 1 1 0   15 35 o 55.669  25.810 -8.1214   18.363  -8.1214   18.363  0.0000    0.0000  55.669  25.810 ?       ?      0.000000       25.81004 
1 1 1 0   16 0  o 682.836 23.268 1257.62   85.183  1254.52   120.404 1260.73   120.529 679.877 33.032 681.569 32.985 -1.692810      46.68097 
1 1 1 0   16 2  o 363.736 20.131 359.055   39.105  345.696   55.763  371.981   54.853  354.361 29.623 368.174 27.999 -13.81281      40.76142 
1 1 1 0   16 4  o 114.262 21.780 36.545    12.855  31.976    15.651  46.018    22.537  106.271 27.319 127.019 32.849 -20.74806      42.72461 
1 1 1 0   16 6  o 580.443 17.986 910.674   55.972  960.067   96.738  885.818   68.625  590.612 30.656 571.165 22.410 19.44647       37.97405 
1 1 1 0   16 8  o 91.137  21.064 23.429    10.086  29.502    14.254  17.339    14.273  102.013 25.989 81.971  27.520 20.04223       37.85199 
1 1 1 0   16 10 o 142.023 16.892 55.296    12.610  70.932    18.369  41.360    17.342  160.047 21.989 120.504 27.456 39.54366       35.17534 
1 1 1 0   16 12 o 550.748 17.773 822.056   52.480  820.084   64.602  825.881   89.991  548.514 21.968 545.267 30.911 3.247498       37.92183 
1 1 1 0   16 14 o 221.224 19.798 134.234   23.234  140.178   33.207  128.535   32.518  223.547 28.344 213.649 29.150 9.897980       40.65847 
1 1 1 0   16 16 o 273.056 14.629 202.357   21.338  220.745   31.130  186.061   29.306  283.551 20.619 260.021 21.207 23.52963       29.57825 
1 1 1 0   16 18 o 145.558 18.375 58.664    14.020  30.708    20.013  85.608    19.647  104.028 32.403 175.425 21.329 -71.39679      38.79253 
1 1 1 0   16 20 o 135.274 24.806 52.386    17.327  53.837    19.921  47.878    35.115  136.068 28.233 127.806 43.165 8.262169       51.57811 
1 1 1 0   16 22 o 183.664 17.548 93.426    17.069  90.521    19.419  103.297   35.797  179.715 20.523 183.646 37.623 -3.931015      42.85620 
1 1 1 0   16 24 f 234.383 19.536 153.658   24.325  155.745   29.188  148.914   44.015  233.787 23.611 218.034 39.089 15.75302       45.66642 
1 1 1 0   16 26 o 253.269 23.585 183.771   31.657  183.771   31.657  0.0000    0.0000  253.269 23.585 ?       ?      0.000000       23.58495 
1 1 1 0   16 28 o 233.055 19.434 153.350   24.061  160.925   27.629  129.574   48.951  237.139 21.982 191.046 47.885 46.09267       52.68947 
1 1 1 0   16 30 o 80.353  29.713 17.381    16.952  17.381    16.952  0.0000    0.0000  80.353  29.713 ?       ?      0.000000       29.71290 
1 1 1 0   16 32 o 270.106 19.605 210.702   28.197  193.911   33.712  249.803   51.444  253.350 25.152 272.730 36.068 -19.38013      43.97151 
1 1 1 0   17 1  o 622.714 15.871 1047.10   52.987  1009.76   74.842  1084.62   75.029  609.112 22.918 631.600 22.157 -22.48792      31.87768 
1 1 1 0   17 3  o 519.932 17.463 731.217   48.678  720.512   84.345  736.563   59.607  510.371 30.971 520.675 21.353 -10.30405      37.61888 
1 1 1 0   17 5  o 120.663 18.619 40.338    11.657  46.961    16.130  33.096    16.866  129.203 24.174 107.852 28.675 21.35116       37.50515 
1 1 1 0   17 7  o 94.272  21.940 25.148    10.881  27.014    15.082  23.123    15.713  97.818  27.573 91.867  28.728 5.950523       39.81866 
1 1 1 0   17 9  o 316.957 16.517 272.610   27.970  274.227   34.852  269.684   46.885  316.830 20.630 311.610 28.375 5.220245       35.08183 
1 1 1 0   17 11 o 179.661 23.288 89.700    21.903  89.700    21.903  0.0000    0.0000  179.661 23.288 ?       ?      0.000000       23.28778 
1 1 1 0   17 13 o 132.765 27.380 50.419    18.841  50.419    18.841  0.0000    0.0000  132.765 27.380 ?       ?      0.000000       27.37958 
1 1 1 0   17 15 o 198.364 26.599 110.838   27.575  130.743   41.035  94.449    37.235  211.094 37.638 177.797 40.027 33.29729       54.94360 
1 1 1 0   17 17 o 508.925 21.673 713.115   59.136  675.273   81.334  755.556   86.135  487.493 31.285 515.737 31.300 -28.24408      44.25367 
1 1 1 0   17 19 o 320.452 17.660 282.097   30.224  283.842   36.274  278.135   54.661  319.714 21.284 308.752 33.562 10.96176       39.74194 
1 1 1 0   17 21 f 192.739 21.655 104.586   21.989  118.511   25.961  69.229    41.367  204.146 24.190 146.291 46.722 57.85513       52.61250 
1 1 1 0   17 23 o 205.091 23.420 119.800   25.290  119.800   25.290  0.0000    0.0000  205.091 23.420 ?       ?      0.000000       23.41996 
1 1 1 0   17 25 o 80.051  30.038 15.502    17.450  33.495    20.935  -25.4517  31.585  105.322 33.196 69.716  32.816 35.60642       46.67808 
1 1 1 0   17 27 o 229.145 20.110 148.559   24.456  152.822   28.189  135.588   49.174  230.529 23.120 197.162 47.155 33.36702       52.51777 
1 1 1 0   17 29 o 350.855 19.482 349.374   36.502  337.865   44.090  374.452   65.080  339.775 24.365 341.467 36.096 -1.692566      43.55008 
1 1 1 0   17 31 o 188.355 31.227 113.841   30.429  113.841   30.429  0.0000    0.0000  188.355 31.227 ?       ?      0.000000       31.22711 
1 1 1 0   18 0  o 126.498 24.171 44.735    15.795  25.773    22.000  64.905    22.690  100.645 34.165 152.101 28.881 -51.45587      44.73670 
1 1 1 0   18 2  o 207.873 16.928 117.725   18.702  109.303   31.785  122.185   23.130  196.491 31.217 210.977 20.716 -14.48592      37.46480 
1 1 1 0   18 4  o 264.146 17.066 189.721   24.040  191.025   39.951  188.980   30.099  261.648 28.966 262.524 21.576 -0.8760986     36.11845 
1 1 1 0   18 6  o 82.199  23.206 18.972    10.675  1.3675    14.351  40.780    15.972  60.855  25.678 119.715 25.657 -58.85977      36.29912 
1 1 1 0   18 8  o 385.862 16.684 403.510   34.514  398.423   42.648  413.164   58.755  381.695 20.920 385.438 28.637 -3.742645      35.46476 
1 1 1 0   18 10 o 365.343 14.491 361.046   28.383  377.896   40.539  344.845   39.752  371.597 20.427 354.720 20.996 16.87692       29.29322 
1 1 1 0   18 12 o 54.062  22.184 2.8959    10.289  -12.5704  17.148  11.595    12.860  54.598  25.182 71.061  25.944 -16.46346      36.15553 
1 1 1 0   18 14 o 207.211 17.367 117.816   19.115  100.273   32.356  127.222   23.692  185.164 33.840 214.309 20.885 -29.14511      39.76625 
1 1 1 0   18 16 o 215.296 20.127 128.527   22.963  145.561   27.115  85.333    43.177  228.344 22.438 164.281 46.774 64.06360       51.87768 
1 1 1 0   18 18 o 168.345 19.871 79.143    17.589  69.349    27.957  85.560    22.628  151.495 35.107 173.163 25.106 -21.66798      43.16014 
1 1 1 0   18 20 o 127.570 34.880 49.507    24.540  49.507    24.540  0.0000    0.0000  127.570 34.880 ?       ?      0.000000       34.87960 
1 1 1 0   18 22 o 195.789 20.868 107.733   21.568  114.881   25.478  89.658    40.515  200.726 24.160 165.850 44.597 34.87663       50.72088 
1 1 1 0   18 24 o 315.626 17.415 275.916   29.355  252.228   33.938  346.286   58.495  299.370 21.284 340.877 32.397 -41.50684      38.76287 
1 1 1 0   18 26 o 144.303 31.280 64.163    23.502  61.500    28.358  70.005    41.999  137.757 37.424 141.380 47.209 -3.623199      60.24294 
1 1 1 0   18 28 o 167.041 29.258 85.789    25.248  88.405    30.123  79.611    46.290  165.127 35.107 143.826 49.541 21.30098       60.71921 
1 1 1 0   19 1  o 85.456  21.827 20.716    10.036  31.756    14.463  10.466    13.937  105.359 25.809 71.093  26.811 34.26602       37.21454 
1 1 1 0   19 3  f 232.735 16.941 147.708   20.993  157.391   25.773  128.617   36.188  239.428 20.268 212.102 32.888 27.32594       38.63194 
1 1 1 0   19 5  o 128.305 20.253 45.960    13.470  47.714    18.131  43.799    20.122  129.088 27.063 122.956 30.637 6.131889       40.87798 
1 1 1 0   19 7  o 228.544 15.545 142.249   18.934  122.400   26.006  164.637   27.620  209.744 23.533 244.348 21.296 -34.60350      31.73839 
1 1 1 0   19 9  o 59.366  24.197 4.0729    12.138  -3.6792   25.001  6.4635    13.884  74.441  32.655 65.535  26.174 8.905838       41.85013 
1 1 1 0   19 11 o 142.425 26.291 58.069    19.336  0.0000    0.0000  58.069    19.336  ?       ?      142.425 26.291 0.000000       26.29057 
1 1 1 0   19 13 o 195.684 26.448 108.680   27.036  136.811   38.393  81.010    38.077  216.223 34.262 161.940 43.098 54.28317       55.05739 
1 1 1 0   19 15 o 218.816 16.324 131.278   19.012  121.795   27.981  139.410   25.913  207.330 25.726 223.591 21.898 -16.26135      33.78369 
1 1 1 0   19 17 o 118.718 25.563 40.869    15.790  33.807    21.380  49.341    23.418  107.686 33.483 128.344 33.629 -20.65845      47.45562 
1 1 1 0   19 19 o 223.056 17.269 137.161   20.491  213.145   33.091  89.906    26.096  275.858 22.572 175.864 28.665 99.99437       36.48548 
1 1 1 0   19 21 o 199.515 23.019 112.827   24.170  121.116   43.202  109.050   29.162  195.171 42.492 193.115 29.067 2.055893       51.48283 
1 1 1 0   19 23 o 392.148 24.717 439.051   51.700  355.380   73.715  520.051   72.530  334.222 42.071 417.668 32.650 -83.44662      53.25402 
1 1 1 0   19 25 o 283.120 27.991 236.949   41.931  172.264   60.265  297.650   58.379  216.745 52.432 308.707 35.946 -91.96147      63.57081 
1 1 1 0   20 0  o 447.854 20.977 543.565   50.367  594.357   71.071  492.320   71.388  465.317 28.628 422.167 31.774 43.14963       42.76801 
1 1 1 0   20 2  o 231.820 17.149 146.945   21.163  175.727   26.117  91.914    36.113  252.956 19.406 175.456 39.360 77.50012       43.88385 
1 1 1 0   20 4  o 294.450 15.048 235.697   23.676  254.500   33.467  216.860   33.498  304.169 20.645 279.989 22.506 24.18051       30.54042 
1 1 1 0   20 6  o 502.773 15.246 685.910   41.097  678.620   57.622  693.457   58.630  497.065 21.623 502.388 21.768 -5.323029      30.68167 
1 1 1 0   20 8  o 243.962 18.069 163.219   23.466  165.572   40.565  162.036   28.768  240.008 32.349 241.607 22.466 -1.598923      39.38508 
1 1 1 0   20 10 o 117.529 24.861 39.654    15.176  37.143    25.620  41.011    18.837  113.954 36.808 118.529 29.702 -4.574615      47.29758 
1 1 1 0   20 12 o 200.156 20.538 111.117   21.727  118.611   26.068  94.064    39.324  205.606 24.106 175.171 42.341 30.43495       48.72200 
1 1 1 0   20 14 o 61.847  24.307 6.5729    11.797  32.414    16.138  -23.0760  17.287  105.505 28.048 48.498  23.237 57.00699       36.42310 
1 1 1 0   20 16 o 252.168 16.017 174.119   21.542  192.826   32.214  158.986   28.973  262.524 23.124 238.279 22.964 24.24530       32.58945 
1 1 1 0   20 18 o 431.592 15.817 508.952   36.599  557.375   52.844  464.313   50.737  447.707 22.016 407.143 23.341 40.56476       32.08596 
1 1 1 0   20 20 o 183.643 23.130 95.946    22.268  144.445   42.210  77.243    26.212  216.826 37.678 160.586 31.571 56.23940       49.15647 
1 1 1 0   20 22 o 103.195 37.705 30.040    27.171  33.331    35.977  25.671    41.454  110.542 42.729 107.934 44.437 2.608231       61.64751 
1 1 1 0   21 1  o 226.379 15.965 139.787   19.253  160.650   26.856  117.729   27.614  241.322 20.966 204.773 25.720 36.54895       33.18304 
1 1 1 0   21 3  o 141.921 22.785 56.675    16.750  65.436    27.237  51.346    21.242  149.035 34.731 132.861 30.470 16.17384       46.20233 
1 1 1 0   21 5  o 169.523 18.629 79.300    16.652  67.319    23.033  92.421    24.103  152.897 29.162 181.071 25.538 -28.17462      38.76358 
1 1 1 0   21 7  o 94.262  33.636 22.477    21.465  3.3201    28.014  49.717    33.406  83.632  35.608 130.394 42.022 -46.76199      55.07975 
1 1 1 0   21 9  o 167.084 24.284 78.726    21.117  72.871    24.776  94.272    40.372  158.583 30.245 175.434 43.208 -16.85013      52.74155 
1 1 1 0   21 11 o 75.220  30.171 8.8289    18.535  8.8289    18.535  0.0000    0.0000  75.220  30.171 ?       ?      0.000000       30.17118 
1 1 1 0   21 13 o 67.981  25.804 9.6372    12.962  -8.8181   19.056  25.531    17.684  60.521  27.386 95.240  30.562 -34.71870      41.03690 
1 1 1 0   21 15 o 316.864 15.721 273.926   26.706  266.747   39.162  280.167   36.513  308.385 23.873 317.353 21.589 -8.968109      32.18655 
1 1 1 0   21 17 o 201.549 20.197 113.506   21.530  135.639   37.646  102.748   26.247  213.179 34.087 188.867 26.662 24.31261       43.27585 
1 1 1 0   21 19 o 233.475 19.603 152.350   24.311  176.474   41.383  139.638   30.041  243.234 32.551 220.135 25.953 23.09981       41.63025 
1 1 1 0   22 0  o 566.007 32.299 885.263   97.607  0.0000    0.0000  885.263   97.607  ?       ?      566.007 32.299 0.000000       32.29918 
1 1 1 0   22 2  o 77.510  28.126 14.261    15.082  -3.3735   24.162  25.518    19.305  73.288  32.127 96.565  31.996 -23.27705      45.34172 
1 1 1 0   22 4  o 93.794  29.274 24.706    16.325  36.376    26.764  17.792    20.600  113.607 37.676 87.881  32.703 25.72543       49.88950 
1 1 1 0   22 6  o 169.419 19.998 79.701    17.814  87.774    23.991  69.782    26.594  175.838 26.253 153.980 33.192 21.85764       42.31969 
1 1 1 0   22 8  o 113.428 28.418 37.515    17.246  28.979    22.788  48.958    26.385  102.635 34.771 128.156 36.591 -25.52109      50.47707 
1 1 1 0   22 10 o 149.411 22.643 63.058    17.569  66.265    25.606  60.206    24.151  149.559 32.835 142.600 32.334 6.958145       46.08280 
1 1 1 0   22 12 f 199.431 18.590 110.079   19.648  142.985   29.286  83.146    26.495  225.010 24.682 168.579 30.435 56.43132       39.18573 
1 1 1 0   22 14 o 76.201  27.742 14.147    14.690  11.456    32.458  14.840    16.474  93.143  38.917 79.061  29.280 14.08141       48.70149 
1 1 1 0   23 1  o 61.313  25.841 1.9940    14.507  23.770    22.679  -13.0880  18.874  96.286  34.550 57.380  26.449 38.90551       43.51197 
1 1 1 0   23 3  f 214.333 20.222 127.324   22.962  131.493   27.217  117.026   42.772  216.492 23.845 195.420 42.069 21.07112       48.35691 
1 1 1 0   23 5  o 204.025 20.675 115.739   22.302  118.117   26.093  109.291   42.964  204.794 24.235 187.587 43.556 17.20633       49.84478 
1 1 1 1   0  1  o 798.751 24.675 1718.28   105.438 1718.28   105.438 1718.28   105.438 798.751 24.675 798.751 24.675 0.000000       0.000000 
1 1 1 1   0  3  o 84.476  30.355 25.366    12.579  25.366    12.579  25.366    12.579  84.476  30.355 84.476  30.355 0.000000       0.000000 
1 1 1 1   0  5  f 152.524 18.267 65.064    14.371  65.064    14.371  65.064    14.371  152.524 18.267 152.524 18.267 0.000000       0.000000 
1 1 1 1   0  7  o 398.841 19.249 430.015   40.942  430.015   40.942  430.015   40.942  398.841 19.249 398.841 19.249 0.000000       0.000000 
1 1 1 1   0  9  o 29.495  16.901 2.9562    4.2360  2.9562    4.2360  2.9562    4.2360  29.495  16.901 29.495  16.901 0.000000       0.000000 
1 1 1 1   0  11 o 319.867 18.825 277.863   32.027  277.863   32.027  277.863   32.027  319.867 18.825 319.867 18.825 0.000000       0.000000 
1 1 1 1   0  13 o 291.812 26.864 235.679   41.209  235.679   41.209  235.679   41.209  291.812 26.864 291.812 26.864 0.000000       0.000000 
1 1 1 1   0  15 o 114.384 21.633 38.750    11.883  38.750    11.883  38.750    11.883  114.384 21.633 114.384 21.633 0.000000       0.000000 
1 1 1 1   0  17 o 822.124 25.161 1825.05   110.666 1825.05   110.666 1825.05   110.666 822.124 25.161 822.124 25.161 0.000000       0.000000 
1 1 1 1   0  19 o 74.239  33.292 21.448    14.138  21.448    14.138  21.448    14.138  74.239  33.292 74.239  33.292 0.000000       0.000000 
1 1 1 1   0  21 o 623.955 21.959 1049.60   73.250  1049.60   73.250  1049.60   73.250  623.955 21.959 623.955 21.959 0.000000       0.000000 
1 1 1 1   0  23 o 239.993 28.969 161.625   35.833  161.625   35.833  161.625   35.833  239.993 28.969 239.993 28.969 0.000000       0.000000 
1 1 1 1   0  25 o 35.967  24.424 -7.7304   14.206  -7.7304   14.206  -7.7304   14.206  35.967  24.424 35.967  24.424 0.000000       0.000000 
1 1 1 1   0  27 o 60.461  34.635 12.614    17.782  12.614    17.782  12.614    17.782  60.461  34.635 60.461  34.635 0.000000       0.000000 
1 1 1 1   0  29 o 591.696 22.977 947.956   72.640  947.956   72.640  947.956   72.640  591.696 22.977 591.696 22.977 0.000000       0.000000 
1 1 1 1   0  31 o 86.440  42.842 30.365    23.938  30.365    23.938  30.365    23.938  86.440  42.842 86.440  42.842 0.000000       0.000000 
1 1 1 1   0  33 o 110.396 53.914 51.224    37.680  51.224    37.680  51.224    37.680  110.396 53.914 110.396 53.914 0.000000       0.000000 
1 1 1 1   0  35 o 327.316 23.896 296.716   41.420  296.716   41.420  296.716   41.420  327.316 23.896 327.316 23.896 0.000000       0.000000 
1 1 1 1   0  37 o 102.163 54.685 46.072    41.014  46.072    41.014  46.072    41.014  102.163 54.685 102.163 54.685 0.000000       0.000000 
1 1 1 1   0  39 o 269.580 29.132 209.816   40.860  209.816   40.860  209.816   40.860  269.580 29.132 269.580 29.132 0.000000       0.000000 
1 1 1 1   0  41 o 54.684  36.867 -8.8975   31.231  -8.8975   31.231  -8.8975   31.231  54.684  36.867 54.684  36.867 0.000000       0.000000 
1 1 1 1   0  43 o 83.593  49.561 29.713    38.523  29.713    38.523  29.713    38.523  83.593  49.561 83.593  49.561 0.000000       0.000000 
1 1 1 1   0  45 o 188.569 74.068 171.217   71.785  171.217   71.785  171.217   71.785  188.569 74.068 188.569 74.068 0.000000       0.000000 
1 1 1 1   1  0  o 577.614 15.589 895.682   48.277  907.090   68.273  884.274   68.274  580.863 21.923 573.490 22.205 7.373291       31.20443 
1 1 1 1   1  2  o 406.604 19.187 444.196   41.826  431.681   59.146  456.716   59.155  399.382 27.796 410.962 26.999 -11.57932      38.74968 
1 1 1 1   1  4  o 549.870 17.451 812.142   51.446  760.677   89.134  837.851   62.999  530.045 31.508 558.251 21.049 -28.20612      37.89221 
1 1 1 1   1  6  o 444.621 16.165 530.972   38.533  564.726   66.730  514.087   47.198  456.896 27.368 437.258 20.133 19.63760       33.97559 
1 1 1 1   1  8  o 316.156 12.947 268.376   21.945  279.024   31.050  257.751   31.019  321.616 18.081 308.991 18.814 12.62552       26.09377 
1 1 1 1   1  10 o 147.243 12.584 58.673    9.8383  60.912    13.936  56.449    13.891  149.367 17.751 143.598 18.471 5.768997       25.61765 
1 1 1 1   1  12 o 305.480 18.567 252.882   30.264  247.807   42.853  257.931   42.748  300.619 26.872 306.900 26.232 -6.280640      37.55290 
1 1 1 1   1  14 o 301.239 26.726 249.421   42.715  249.421   42.715  0.0000    0.0000  301.239 26.726 ?       ?      0.000000       26.72599 
1 1 1 1   1  16 o 208.382 12.929 117.244   14.373  123.880   20.505  110.834   20.153  213.511 18.083 201.746 18.851 11.76486       26.12162 
1 1 1 1   1  18 o 313.945 15.278 265.053   25.715  289.044   44.666  253.160   31.450  325.900 25.774 305.936 19.273 19.96350       32.18292 
1 1 1 1   1  20 f 483.184 14.394 627.264   37.287  634.222   52.818  620.351   52.645  485.313 20.300 479.960 20.459 5.353210       28.82091 
1 1 1 1   1  22 o 550.979 17.399 816.870   51.395  817.500   62.977  815.615   88.930  550.669 21.332 547.623 30.409 3.046692       37.14526 
1 1 1 1   1  24 o 448.793 16.801 542.451   40.426  512.562   69.588  557.676   49.666  433.016 30.164 454.549 20.380 -21.53259      36.40313 
1 1 1 1   1  26 o 175.926 17.529 84.316    16.313  79.558    22.443  89.646    23.754  169.307 25.517 179.968 25.319 -10.66125      35.94711 
1 1 1 1   1  28 o 408.159 15.083 449.591   33.006  454.689   46.447  444.390   46.911  408.584 21.277 403.774 21.750 4.809448       30.42691 
1 1 1 1   1  30 o 454.449 15.414 560.273   37.555  596.166   52.882  523.752   53.342  466.341 21.151 435.716 22.915 30.62558       31.18440 
1 1 1 1   1  32 o 93.066  32.233 23.756    19.608  25.915    24.050  19.476    33.865  98.453  35.549 100.091 40.558 -1.638145      53.93190 
1 1 1 1   1  34 o 72.151  29.879 7.3145    18.891  14.888    30.808  2.7505    23.915  91.271  38.006 74.819  32.390 16.45190       49.93522 
1 1 1 1   1  36 o 204.455 24.133 123.983   25.944  85.858    45.010  142.952   31.749  147.020 48.863 216.220 28.049 -69.19987      56.34075 
1 1 1 1   1  38 o 140.398 34.107 69.564    25.419  80.546    32.018  50.844    41.805  144.219 40.007 110.011 44.880 34.20811       60.12256 
1 1 1 1   1  40 o 90.409  38.178 33.133    31.765  75.692    48.012  -0.0000   42.362  111.721 47.045 77.310  36.859 34.41084       59.76399 
1 1 1 1   1  42 o 63.418  29.056 2.7203    22.312  19.975    34.784  -9.3417   29.083  78.829  36.176 63.028  30.183 15.80035       47.11398 
1 1 1 1   1  44 o 98.497  38.579 59.466    29.627  37.535    42.538  80.129    41.289  78.430  37.262 98.362  42.570 -19.93223      56.57453 
1 1 1 1   1  46 o 79.477  36.951 70.292    38.042  79.061    67.971  66.292    45.905  68.994  35.034 72.992  35.648 -3.997925      49.98168 
1 1 1 1   2  1  o 813.956 20.240 1780.62   88.324  1791.05   108.163 1759.75   153.012 815.815 24.730 807.025 35.365 8.790100       43.15323 
1 1 1 1   2  3  o 996.284 23.057 2670.17   123.158 2588.41   150.809 2833.87   213.397 979.965 28.704 1023.05 38.906 -43.08337      48.34910 
1 1 1 1   2  5  o 308.037 14.755 254.769   24.368  238.821   42.132  262.785   29.871  296.501 26.794 312.215 17.920 -15.71393      32.23437 
1 1 1 1   2  7  o 555.510 14.754 828.880   43.940  822.941   62.134  834.821   62.147  552.954 20.959 556.947 20.813 -3.992493      29.53754 
1 1 1 1   2  9  o 312.956 18.562 264.646   31.006  256.822   43.857  272.465   43.840  306.927 26.924 316.359 26.080 -9.432495      37.48443 
1 1 1 1   2  11 o 207.135 14.573 116.044   16.081  113.004   19.724  122.072   27.771  203.872 18.238 210.702 25.076 -6.830368      31.00730 
1 1 1 1   2  13 o 593.877 15.324 950.830   48.792  956.819   69.008  944.842   68.998  594.065 21.667 590.293 21.802 3.771362       30.73707 
1 1 1 1   2  15 o 609.473 17.741 1002.74   57.969  1031.39   100.506 988.450   70.962  613.937 30.535 604.010 21.914 9.926880       37.58426 
1 1 1 1   2  17 o 102.678 14.673 28.924    7.8475  19.448    11.226  37.981    10.975  83.784  23.848 117.404 18.011 -33.62074      29.88478 
1 1 1 1   2  19 o 341.639 15.484 313.713   28.361  342.434   49.263  299.475   34.685  355.142 26.055 332.973 19.515 22.16870       32.55285 
1 1 1 1   2  21 o 332.305 19.338 298.269   34.304  333.179   48.660  263.777   48.368  350.246 26.101 310.824 29.373 39.42151       39.29425 
1 1 1 1   2  23 o 654.165 18.550 1152.96   65.059  1092.61   112.569 1183.22   79.723  632.439 33.317 661.916 22.465 -29.47662      40.18327 
1 1 1 1   2  25 o 320.960 16.426 278.283   28.170  269.113   48.598  282.923   34.570  312.994 29.302 323.029 20.060 -10.03470      35.51063 
1 1 1 1   2  27 o 315.330 14.808 268.004   25.035  270.089   35.641  265.974   35.173  314.962 21.231 312.569 21.113 2.393097       29.94134 
1 1 1 1   2  29 f 449.806 15.205 547.338   36.668  581.936   52.633  514.711   51.113  461.805 21.258 433.493 22.065 28.31262       30.63996 
1 1 1 1   2  31 o 230.803 20.779 148.062   25.436  153.576   31.388  137.515   43.414  233.038 25.541 213.026 39.466 20.01189       47.00937 
1 1 1 1   2  33 o 95.791  27.786 27.248    15.105  16.711    23.575  34.586    19.674  87.331  34.350 106.825 31.907 -19.49438      46.88217 
1 1 1 1   2  35 o 268.422 23.547 209.607   33.543  0.0000    0.0000  209.607   33.543  ?       ?      268.422 23.547 0.000000       23.54662 
1 1 1 1   2  37 o 68.031  28.409 7.6599    17.282  20.521    27.532  -0.7032   22.202  88.319  36.271 67.271  30.071 21.04851       47.11478 
1 1 1 1   2  39 o 60.529  28.387 -9.4553   23.261  0.8920    38.507  -15.4007  29.189  77.983  36.556 64.176  30.596 13.80640       47.67086 
1 1 1 1   2  41 o 161.241 30.075 93.531    25.042  105.142   38.285  84.848    33.107  143.622 44.831 133.367 41.699 10.25508       61.22581 
1 1 1 1   2  43 o 77.226  33.848 24.341    26.809  33.978    40.794  17.015    35.569  81.937  38.151 74.577  35.016 7.359238       51.78430 
1 1 1 1   2  45 o 71.554  34.249 32.116    37.349  -18.7529  47.825  111.638   59.796  61.145  30.858 84.999  41.327 -23.85375      51.57632 
1 1 1 1   3  0  o 1382.03 35.671 5164.91   264.303 0.0000    0.0000  5164.91   264.303 ?       ?      1382.03 35.671 0.000000       35.67085 
1 1 1 1   3  2  o 561.473 17.153 846.855   51.635  857.523   89.382  841.511   63.258  563.051 29.715 559.399 21.092 3.651550       36.43970 
1 1 1 1   3  4  o 189.666 14.165 97.121    14.300  100.654   17.545  90.130    24.680  192.792 17.154 181.031 26.190 11.76117       31.30753 
1 1 1 1   3  6  o 754.271 16.361 1529.07   66.164  1460.15   76.359  1736.71   132.539 736.696 19.333 801.193 30.856 -64.49725      36.41211 
1 1 1 1   3  8  o 382.473 18.929 393.982   38.814  403.440   54.992  384.593   54.791  385.232 26.793 375.967 27.370 9.264954       38.30152 
1 1 1 1   3  10 o 233.173 14.733 146.900   18.323  147.750   22.413  145.187   31.819  233.391 18.052 229.838 26.296 3.552094       31.89579 
1 1 1 1   3  12 f 186.910 12.614 94.420    12.566  99.536    17.834  89.376    17.710  191.214 17.594 180.950 18.516 10.26315       25.54159 
1 1 1 1   3  14 o 286.059 15.078 221.085   23.042  227.731   39.872  217.753   28.235  288.138 26.093 283.293 18.695 4.844788       32.09933 
1 1 1 1   3  16 o 451.789 16.294 549.563   39.467  516.057   68.415  566.276   48.317  434.671 29.533 458.148 19.671 -23.47659      35.48425 
1 1 1 1   3  18 o 694.951 18.886 1299.92   70.367  1303.65   86.248  1292.49   121.693 695.242 23.139 690.122 32.890 5.120056       40.21418 
1 1 1 1   3  20 o 281.773 19.118 214.640   28.710  214.640   28.710  0.0000    0.0000  281.773 19.118 ?       ?      0.000000       19.11801 
1 1 1 1   3  22 f 442.413 14.259 526.107   33.822  534.653   47.684  517.454   47.980  445.412 19.968 438.136 20.426 7.276581       28.56490 
1 1 1 1   3  24 o 493.279 17.059 655.558   45.114  692.650   78.024  636.930   55.294  503.858 29.006 485.549 21.241 18.30881       35.95184 
1 1 1 1   3  26 o 57.460  23.680 2.7394    11.786  18.299    19.268  -6.5642   14.899  88.561  31.839 54.807  24.557 33.75390       40.20918 
1 1 1 1   3  28 o 236.525 19.152 152.706   24.078  90.548    43.079  180.948   29.038  174.793 45.519 257.094 21.258 -82.30023      50.23842 
1 1 1 1   3  30 o 229.588 25.500 147.994   30.858  147.994   30.858  0.0000    0.0000  229.588 25.500 ?       ?      0.000000       25.50020 
1 1 1 1   3  32 o 267.289 16.354 196.687   23.323  194.375   33.940  198.755   32.103  261.517 24.493 265.475 22.776 -3.957703      33.44566 
1 1 1 1   3  34 o 265.160 19.266 198.094   27.202  256.310   49.457  172.844   32.571  289.714 32.396 243.362 25.335 46.35269       41.12590 
1 1 1 1   3  36 o 218.056 22.410 139.481   25.826  164.058   50.798  130.914   29.991  209.898 46.376 206.634 27.775 3.263794       54.05744 
1 1 1 1   3  38 o 153.223 26.046 74.804    20.630  74.843    30.980  74.772    27.653  137.902 39.734 142.580 36.131 -4.677902      53.70477 
1 1 1 1   3  40 o 91.642  34.624 33.145    23.271  36.009    31.085  29.494    35.098  92.530  38.324 88.128  38.674 4.402206       54.44636 
1 1 1 1   3  42 o 61.429  28.747 -2.6823   23.640  0.1130    34.493  -5.1581   32.462  70.032  33.353 66.881  31.991 3.151108       46.21524 
1 1 1 1   3  44 o 61.956  30.051 -3.0777   31.113  -5.6252   58.527  -2.0741   36.734  69.080  34.770 64.600  31.621 4.479523       46.99804 
1 1 1 1   4  1  o 1173.81 22.076 3708.62   138.930 3590.08   196.469 3827.17   196.483 1152.39 31.800 1190.14 30.793 -37.75500      44.26576 
1 1 1 1   4  3  o 1081.33 20.675 3146.75   119.859 3075.78   169.499 3217.74   169.515 1066.87 29.634 1091.41 28.970 -24.53638      41.44170 
1 1 1 1   4  5  o 420.322 15.705 474.883   35.391  535.629   61.446  444.728   43.293  444.622 25.889 406.426 19.869 38.19568       32.63451 
1 1 1 1   4  7  o 437.653 15.747 515.315   36.948  515.315   36.948  0.0000    0.0000  437.653 15.747 ?       ?      0.000000       15.74673 
1 1 1 1   4  9  o 208.592 14.097 117.603   15.672  111.059   19.120  131.001   27.358  202.167 17.823 218.663 23.716 -16.49609      29.66693 
1 1 1 1   4  11 o 388.594 13.341 406.441   27.794  411.627   39.333  401.270   39.279  390.286 18.798 385.309 19.014 4.977325       26.73750 
1 1 1 1   4  13 o 322.541 15.226 280.284   26.329  275.120   45.512  282.882   32.280  316.746 27.060 323.090 18.715 -6.344208      32.90155 
1 1 1 1   4  15 o 887.234 21.703 2126.25   103.236 2140.92   178.933 2118.93   126.395 883.538 37.774 884.003 26.669 -0.4651489     46.23971 
1 1 1 1   4  17 o 983.214 19.749 2602.68   104.102 2675.26   147.228 2530.12   147.215 994.777 27.605 967.180 28.391 27.59637       39.59904 
1 1 1 1   4  19 o 305.402 15.259 250.623   24.984  259.402   30.720  233.473   42.937  309.977 18.570 292.695 27.691 17.28247       33.34106 
1 1 1 1   4  21 o 441.939 16.467 525.306   39.017  552.233   47.805  471.586   67.523  452.800 19.692 415.980 30.489 36.82086       36.29556 
1 1 1 1   4  23 o 269.551 16.247 196.292   23.369  204.575   40.034  192.012   28.782  273.231 27.713 265.996 20.337 7.234833       34.37399 
1 1 1 1   4  25 o 492.102 14.762 652.002   38.946  622.016   54.884  682.415   55.274  479.514 21.349 502.429 20.520 -22.91516      29.61126 
1 1 1 1   4  27 o 541.576 15.439 791.512   44.829  821.122   63.572  762.224   63.226  549.879 21.564 529.563 22.269 20.31506       30.99880 
1 1 1 1   4  29 o 476.424 15.206 615.111   38.841  579.230   54.238  652.880   55.647  459.605 22.012 488.320 21.255 -28.71506      30.59888 
1 1 1 1   4  31 o 210.607 21.310 124.128   23.730  143.250   28.235  78.129    43.792  225.296 23.733 155.363 47.857 69.93320       53.41862 
1 1 1 1   4  33 o 78.198  30.670 12.963    18.745  -10.5538  33.057  24.109    22.758  78.327  35.688 94.088  34.488 -15.76077      49.62910 
1 1 1 1   4  35 o 296.005 16.738 245.411   26.454  222.451   36.847  269.833   38.003  274.336 25.339 304.262 23.478 -29.92526      34.54397 
1 1 1 1   4  37 o 198.273 24.598 120.195   25.586  126.292   31.282  107.870   44.475  197.066 30.600 158.920 48.088 38.14531       56.99861 
1 1 1 1   4  39 o 99.020  36.468 39.110    25.489  22.880    30.577  76.079    46.149  85.155  36.744 117.343 47.416 -32.18797      59.98697 
1 1 1 1   4  41 o 171.678 28.405 102.978   25.230  157.109   36.260  52.174    35.128  201.484 34.827 101.027 41.169 100.4565       53.92425 
1 1 1 1   4  43 o 109.885 38.999 65.007    28.819  99.303    47.279  44.731    36.353  108.646 46.259 87.002  38.715 21.64392       60.32135 
1 1 1 1   4  45 o 72.646  35.547 45.777    46.303  59.980    75.605  37.253    58.572  71.015  36.148 69.529  34.968 1.486626       50.29335 
1 1 1 1   5  0  o 1067.96 20.816 3072.65   119.187 3031.74   168.547 3113.57   168.564 1058.11 29.711 1072.43 29.317 -14.32617      41.74041 
1 1 1 1   5  2  o 704.862 18.870 1337.57   71.310  1349.69   87.360  1313.36   123.449 707.306 23.037 695.359 33.114 11.94659       40.33909 
1 1 1 1   5  4  o 573.803 20.957 888.086   64.471  958.013   91.328  818.627   91.023  594.372 28.660 548.031 31.108 46.34045       42.29766 
1 1 1 1   5  6  o 532.708 16.330 764.078   46.637  814.915   80.918  738.791   57.070  547.218 27.671 523.182 20.346 24.03613       34.34610 
1 1 1 1   5  8  o 443.723 13.925 529.870   33.127  526.830   38.224  539.040   66.393  442.153 16.125 444.058 28.032 -1.905273      32.33859 
1 1 1 1   5  10 o 202.584 18.144 111.689   19.498  111.689   19.498  0.0000    0.0000  202.584 18.144 ?       ?      0.000000       18.14387 
1 1 1 1   5  12 o 323.203 13.000 280.973   22.526  286.339   31.943  275.665   31.771  325.216 18.396 319.030 18.656 6.184937       26.20022 
1 1 1 1   5  14 o 306.578 13.235 252.612   21.754  256.756   30.845  248.511   30.686  308.116 18.762 303.078 18.981 5.038086       26.68858 
1 1 1 1   5  16 o 171.949 19.296 80.560    17.481  56.738    24.638  104.708   24.807  141.870 33.013 195.573 24.173 -53.70261      40.91695 
1 1 1 1   5  18 o 280.559 13.391 211.375   20.143  206.407   28.286  216.487   28.691  276.325 19.213 283.046 19.017 -6.721527      27.03276 
1 1 1 1   5  20 o 699.947 16.339 1317.38   61.315  1280.18   86.626  1354.73   86.798  688.869 23.455 708.758 22.842 -19.88928      32.74025 
1 1 1 1   5  22 o 251.750 16.323 171.278   21.912  164.691   38.240  174.499   26.737  244.517 29.785 253.636 19.820 -9.118286      35.77689 
1 1 1 1   5  24 o 597.222 17.840 961.792   57.123  911.469   98.899  986.984   69.975  576.749 32.111 604.162 21.603 -27.41309      38.70197 
1 1 1 1   5  26 o 248.327 20.797 168.235   27.434  175.951   40.323  161.586   37.433  251.557 30.523 241.198 29.567 10.35873       42.49532 
1 1 1 1   5  28 o 260.504 14.945 184.166   20.785  175.242   29.908  192.502   28.907  252.185 22.352 264.951 20.510 -12.76581      30.33610 
1 1 1 1   5  30 o 116.015 24.265 38.774    14.607  41.866    22.059  36.359    19.493  118.749 33.302 111.162 31.351 7.587196       45.73752 
1 1 1 1   5  32 o 243.203 20.167 165.820   26.058  165.305   45.615  166.070   31.748  230.621 38.231 240.640 24.972 -10.01874      45.66444 
1 1 1 1   5  34 o 264.520 19.741 198.230   27.795  165.100   45.113  218.499   35.288  225.148 38.773 274.113 24.262 -48.96449      45.73820 
1 1 1 1   5  36 o 87.841  34.034 21.986    22.867  0.0000    31.388  46.851    33.380  78.202  35.289 113.794 41.759 -35.59195      54.67309 
1 1 1 1   5  38 o 113.982 35.872 49.548    24.457  39.278    41.699  54.933    30.196  99.567  42.936 115.174 39.993 -15.60748      58.67690 
1 1 1 1   5  40 o 73.613  32.610 11.224    25.512  23.841    50.816  6.9716    29.500  88.270  41.572 73.537  33.586 14.73285       53.44418 
1 1 1 1   5  42 o 68.478  31.772 5.7756    27.902  32.575    36.098  -33.9965  43.975  84.402  37.988 65.120  32.372 19.28214       49.91009 
1 1 1 1   5  44 o 55.489  27.216 -14.2211  27.636  37.195    44.661  -46.1267  35.181  75.615  36.513 52.909  26.672 22.70548       45.21735 
1 1 1 1   6  1  o 154.177 12.782 64.329    10.470  70.880    14.766  57.706    14.848  161.289 17.349 144.967 19.607 16.32133       26.18024 
1 1 1 1   6  3  o 364.583 13.370 357.444   26.133  368.332   36.969  346.568   36.947  369.066 18.745 357.868 19.329 11.19861       26.92559 
1 1 1 1   6  5  o 341.024 15.104 313.138   27.616  334.453   33.840  270.639   47.782  351.660 18.009 313.988 28.702 37.67194       33.88397 
1 1 1 1   6  7  o 178.518 14.780 86.402    14.019  82.715    24.156  88.274    17.215  172.364 27.029 179.960 18.087 -7.596207      32.52234 
1 1 1 1   6  9  o 279.125 15.164 210.458   22.607  207.177   27.629  217.107   39.325  276.373 18.758 281.384 26.375 -5.010925      32.36478 
1 1 1 1   6  11 o 320.606 13.251 276.362   22.776  291.953   26.307  229.695   45.514  329.396 14.896 289.089 29.793 40.30753       33.30943 
1 1 1 1   6  13 f 494.137 14.178 656.227   37.560  626.564   43.296  746.440   75.506  482.596 16.734 524.579 26.938 -41.98346      31.71239 
1 1 1 1   6  15 o 591.096 17.724 939.523   56.170  898.866   97.402  959.781   68.753  575.358 31.698 597.000 21.481 -21.64252      38.29110 
1 1 1 1   6  17 o 706.138 16.511 1340.08   62.509  1321.80   88.346  1358.41   88.456  700.383 23.528 710.062 23.236 -9.679260      33.06742 
1 1 1 1   6  19 o 352.433 15.885 333.900   30.015  314.429   51.472  343.932   36.947  339.780 28.519 356.923 19.381 -17.14355      34.48140 
1 1 1 1   6  21 f 358.149 16.072 345.110   30.860  346.888   37.502  341.381   54.311  358.225 19.601 353.633 28.899 4.591980       34.91896 
1 1 1 1   6  23 o 367.973 16.201 364.644   31.962  337.839   39.189  417.902   55.239  353.067 20.795 391.573 26.468 -38.50620      33.65945 
1 1 1 1   6  25 o 536.673 17.391 777.505   50.037  809.237   61.433  714.961   86.247  546.651 20.961 509.596 31.725 37.05518       38.02473 
1 1 1 1   6  27 o 368.462 16.796 367.707   33.179  394.718   57.657  354.334   40.569  377.058 28.738 360.047 21.109 17.01151       35.65763 
1 1 1 1   6  29 o 231.710 15.959 146.785   19.704  144.598   28.335  148.833   27.420  227.385 23.586 231.182 22.404 -3.797562      32.53056 
1 1 1 1   6  31 o 106.019 28.859 33.427    16.843  49.458    21.301  6.6786    27.515  128.077 31.289 83.658  35.441 44.41892       47.27648 
1 1 1 1   6  33 o 198.832 21.626 113.019   22.682  79.462    44.972  124.467   26.267  148.823 48.813 207.257 24.089 -58.43440      54.43296 
1 1 1 1   6  35 o 123.885 36.505 52.090    25.890  52.090    25.890  0.0000    0.0000  123.885 36.505 ?       ?      0.000000       36.50545 
1 1 1 1   6  37 o 76.947  30.368 16.322    18.486  -47.7799  37.622  36.724    21.224  63.762  31.370 101.932 33.538 -38.16991      45.92281 
1 1 1 1   6  39 o 137.866 37.486 75.847    28.437  0.0000    0.0000  75.847    28.437  ?       ?      137.866 37.486 0.000000       37.48567 
1 1 1 1   6  41 o 56.743  27.982 -34.4703  30.519  -19.3249  47.147  -45.3932  40.039  72.042  35.378 61.851  30.770 10.19054       46.88723 
1 1 1 1   6  43 o 59.158  28.733 -10.9866  28.707  2.7497    37.821  -29.6543  44.091  68.151  33.073 62.840  31.421 5.310852       45.61961 
1 1 1 1   7  0  o 175.306 14.824 83.322    13.802  86.369    23.906  81.799    16.905  176.504 26.045 173.136 18.498 3.367691       31.94539 
1 1 1 1   7  2  o 374.335 15.542 377.433   31.191  378.585   38.178  375.121   54.089  373.972 19.106 370.351 27.436 3.621094       33.43323 
1 1 1 1   7  4  o 333.212 15.192 299.000   27.139  275.741   46.835  310.757   33.300  317.131 27.827 338.851 18.399 -21.71921      33.35997 
1 1 1 1   7  6  o 304.472 15.063 249.592   24.588  247.176   42.446  250.813   30.164  300.481 26.623 304.316 18.577 -3.834351      32.46412 
1 1 1 1   7  8  o 320.720 12.875 276.502   22.138  292.228   31.409  260.978   31.207  328.812 17.884 310.536 18.833 18.27563       25.97194 
1 1 1 1   7  10 o 538.025 17.155 779.103   49.483  782.251   60.517  772.753   85.954  538.578 20.958 532.758 30.217 5.820068       36.77424 
1 1 1 1   7  12 o 539.938 20.563 784.911   59.526  784.911   59.526  0.0000    0.0000  539.938 20.563 ?       ?      0.000000       20.56329 
1 1 1 1   7  14 o 185.870 13.670 93.262    13.526  98.144    15.544  78.039    27.451  190.531 15.347 167.169 31.791 23.36212       35.30161 
1 1 1 1   7  16 o 775.306 16.998 1615.57   70.656  1568.13   81.504  1759.04   141.749 763.468 19.912 806.135 32.798 -42.66620      38.36880 
1 1 1 1   7  18 o 992.828 22.885 2657.55   121.811 2550.10   210.614 2711.56   149.319 966.612 40.641 1001.50 27.809 -34.88904      49.24482 
1 1 1 1   7  20 o 499.384 16.907 671.135   45.265  639.594   55.327  734.985   78.719  486.965 21.192 520.017 28.342 -33.05206      35.38910 
1 1 1 1   7  22 o 89.833  22.097 22.672    10.569  25.372    14.287  19.409    15.708  95.408  26.816 86.771  28.867 8.637161       39.40045 
1 1 1 1   7  24 o 268.885 20.399 196.680   29.187  174.738   40.714  219.877   41.864  250.911 30.920 282.652 27.994 -31.74170      41.70993 
1 1 1 1   7  26 o 331.515 16.782 298.194   29.730  283.078   50.158  306.382   36.913  318.929 29.675 335.022 20.652 -16.09344      36.15380 
1 1 1 1   7  28 o 517.028 17.560 728.837   48.675  799.294   84.885  694.319   59.414  532.335 29.863 502.198 22.067 30.13678       37.13156 
1 1 1 1   7  30 o 109.132 24.680 34.698    14.102  48.148    21.464  24.481    18.706  126.648 31.688 93.607  31.505 33.04153       44.68438 
1 1 1 1   7  32 o 420.490 17.839 490.591   40.216  464.819   49.648  539.770   68.582  404.251 23.003 427.104 30.144 -22.85333      37.91834 
1 1 1 1   7  34 o 113.113 35.234 41.767    23.662  56.031    37.796  32.572    30.345  125.640 44.654 103.632 39.446 22.00835       59.58131 
1 1 1 1   7  36 o 64.658  27.047 6.6927    15.704  -32.1680  27.021  26.511    19.297  57.508  27.919 90.407  31.931 -32.89883      42.41524 
1 1 1 1   7  38 o 79.024  31.269 19.004    19.645  40.893    52.184  15.390    21.205  99.882  45.247 76.284  31.629 23.59801       55.20587 
1 1 1 1   7  40 o 71.533  30.369 13.000    20.272  32.721    35.093  3.1233    24.834  90.157  39.132 67.895  30.934 22.26220       49.88246 
1 1 1 1   7  42 o 74.587  35.879 10.523    42.153  10.523    42.153  0.0000    0.0000  74.587  35.879 ?       ?      0.000000       35.87937 
1 1 1 1   7  44 o 60.236  28.140 7.8170    22.489  -11.0891  44.620  14.255    26.038  62.103  31.134 64.664  30.232 -2.561489      43.39737 
1 1 1 1   8  1  o 121.754 19.579 40.974    12.347  45.583    17.395  36.294    17.529  127.399 26.338 113.437 28.777 13.96199       39.01054 
1 1 1 1   8  3  o 569.650 15.148 872.966   46.262  866.675   65.446  879.250   65.403  566.568 21.546 570.696 21.376 -4.127441      30.35015 
1 1 1 1   8  5  o 107.330 13.777 31.468    7.7449  34.923    11.037  28.115    10.871  112.330 19.004 100.263 20.901 12.06679       28.24898 
1 1 1 1   8  7  o 361.215 13.207 350.499   25.577  354.076   36.189  346.928   36.154  362.194 18.700 358.486 18.878 3.707642       26.57178 
1 1 1 1   8  9  o 789.700 19.448 1677.99   82.339  1792.09   100.983 1451.66   142.223 815.484 23.097 731.137 36.283 84.34705       43.01089 
1 1 1 1   8  11 o 699.289 16.111 1313.73   60.404  1319.62   85.420  1307.84   85.427  700.091 22.758 696.945 22.863 3.145630       32.25880 
1 1 1 1   8  13 f 338.275 13.478 307.203   24.444  312.840   28.153  289.941   49.267  341.287 15.386 326.587 28.421 14.70020       32.31871 
1 1 1 1   8  15 o 642.105 17.979 1108.45   61.893  1038.59   75.581  1250.66   107.839 621.008 22.701 680.372 29.564 -59.36371      37.27379 
1 1 1 1   8  17 o 314.677 13.536 265.978   22.837  258.598   26.271  288.807   46.202  309.760 15.872 325.895 26.677 -16.13483      31.04170 
1 1 1 1   8  19 o 978.553 23.072 2585.30   121.042 2586.36   148.135 2583.18   209.964 977.007 28.281 971.073 40.330 5.934570       49.25713 
1 1 1 1   8  21 o 630.112 18.137 1070.03   61.272  1061.15   75.003  1087.85   106.239 626.632 22.325 632.000 31.354 -5.368286      38.49025 
1 1 1 1   8  23 f 423.544 14.372 483.024   32.635  499.681   46.384  466.694   45.927  429.871 20.126 415.349 20.624 14.52164       28.81699 
1 1 1 1   8  25 o 323.363 14.412 282.237   24.985  274.459   35.627  289.765   35.050  316.970 21.085 325.983 20.154 -9.012482      29.16741 
1 1 1 1   8  27 o 238.710 21.641 157.685   27.395  0.0000    0.0000  157.685   27.395  ?       ?      238.710 21.641 0.000000       21.64095 
1 1 1 1   8  29 o 356.666 21.267 353.706   40.481  0.0000    0.0000  353.706   40.481  ?       ?      356.666 21.267 0.000000       21.26681 
1 1 1 1   8  31 o 388.410 22.508 426.472   46.670  426.472   46.670  0.0000    0.0000  388.410 22.508 ?       ?      0.000000       22.50831 
1 1 1 1   8  33 o 263.154 16.778 193.449   23.547  194.980   35.208  192.210   31.674  257.253 25.879 257.681 23.175 -0.4288635     34.73882 
1 1 1 1   8  35 o 71.967  28.330 12.414    16.048  -0.6033   25.546  20.900    20.626  71.422  32.068 85.056  32.486 -13.63406      45.64739 
1 1 1 1   8  37 o 171.976 27.387 95.622    24.404  235.720   58.673  66.315    26.836  234.359 48.303 133.078 36.511 101.2817       60.54940 
1 1 1 1   8  39 o 55.069  25.717 -8.4409   18.755  3.4436    34.389  -13.4724  22.376  76.162  35.315 57.212  27.136 18.95018       44.53653 
1 1 1 1   8  41 o 130.269 47.505 106.081   43.102  106.081   43.102  0.0000    0.0000  130.269 47.505 ?       ?      0.000000       47.50541 
1 1 1 1   8  43 o 52.662  25.745 -15.9721  24.120  -31.3755  51.884  -11.7256  27.242  63.554  32.081 56.595  27.601 6.958408       42.32037 
1 1 1 1   9  0  o 385.452 19.173 399.777   39.622  431.332   56.231  368.661   55.839  398.843 26.447 368.237 28.506 30.60583       38.88477 
1 1 1 1   9  2  o 840.691 17.964 1900.69   80.966  1927.78   114.550 1873.65   114.457 845.329 25.275 833.306 25.619 12.02289       35.98886 
1 1 1 1   9  4  o 393.407 13.457 415.573   28.384  442.531   40.175  388.707   40.107  405.668 18.472 379.602 19.775 26.06635       27.06049 
1 1 1 1   9  6  o 279.635 14.661 210.561   21.903  231.790   26.972  169.446   37.535  293.192 17.234 248.971 28.642 44.22144       33.42744 
1 1 1 1   9  8  o 709.418 16.110 1351.79   61.272  1409.88   86.699  1293.84   86.603  723.835 22.341 693.291 23.300 30.54401       32.27995 
1 1 1 1   9  10 o 845.609 17.373 1921.19   78.764  1969.51   111.417 1872.93   111.360 855.246 24.299 833.918 24.908 21.32727       34.79716 
1 1 1 1   9  12 o 384.755 13.573 397.420   27.997  400.901   39.545  393.922   39.644  386.157 19.101 382.275 19.407 3.881714       27.22997 
1 1 1 1   9  14 o 470.983 14.186 595.759   35.821  579.298   41.274  645.995   72.103  464.270 16.582 488.386 27.651 -24.11594      32.24172 
1 1 1 1   9  16 o 657.647 15.977 1162.71   56.334  1121.78   64.959  1286.89   113.138 645.615 18.767 689.243 30.617 -43.62756      35.91102 
1 1 1 1   9  18 o 362.248 15.948 352.961   30.972  340.677   37.825  377.954   53.955  354.996 19.955 372.690 27.191 -17.69376      33.72733 
1 1 1 1   9  20 o 429.206 16.392 495.966   37.719  495.966   37.719  0.0000    0.0000  429.206 16.392 ?       ?      0.000000       16.39173 
1 1 1 1   9  22 o 254.528 14.174 174.958   19.265  172.565   22.055  182.664   39.574  252.463 16.383 257.100 29.230 -4.637299      33.50827 
1 1 1 1   9  24 o 422.467 16.677 482.902   37.772  529.799   65.942  460.000   46.082  437.909 28.237 410.706 20.998 27.20294       35.18914 
1 1 1 1   9  26 o 188.707 18.467 97.997    18.444  92.265    32.440  100.736   22.421  177.270 35.373 190.215 22.416 -12.94466      41.87719 
1 1 1 1   9  28 o 131.337 29.863 50.915    20.552  51.194    35.271  50.771    25.289  130.204 43.254 129.666 35.389 0.5377502      55.88629 
1 1 1 1   9  30 o 237.858 25.272 162.345   31.734  162.345   31.734  0.0000    0.0000  237.858 25.272 ?       ?      0.000000       25.27221 
1 1 1 1   9  32 o 267.068 19.001 200.807   27.029  241.345   34.848  139.600   42.821  290.108 22.583 206.186 40.181 83.92273       46.09241 
1 1 1 1   9  34 o 164.745 24.843 82.019    21.261  31.281    43.010  98.426    24.458  104.184 44.233 179.643 26.163 -75.45962      51.39144 
1 1 1 1   9  36 o 142.259 27.402 65.070    20.141  146.423   34.524  23.095    24.799  209.260 31.771 87.217  34.929 122.0432       47.21666 
1 1 1 1   9  38 o 87.233  32.182 26.140    19.863  68.229    34.170  4.6599    24.411  124.406 42.577 70.575  31.541 53.83169       52.98661 
1 1 1 1   9  40 o 138.806 32.212 72.360    23.509  74.002    39.225  71.440    29.368  115.111 44.582 126.239 39.242 -11.12788      59.39257 
1 1 1 1   9  42 o 127.135 40.505 87.495    31.105  130.561   44.158  45.082    43.822  133.555 48.178 83.667  39.150 49.88851       62.07948 
1 1 1 1   10 1  o 1118.06 30.385 3372.44   182.136 3469.85   257.656 3275.14   257.502 1130.65 42.505 1098.07 43.740 32.58240       60.99079 
1 1 1 1   10 3  f 74.389  19.013 15.440    7.6116  20.646    9.8167  7.5926    12.053  85.943  21.390 64.797  24.814 21.14565       32.76041 
1 1 1 1   10 5  o 883.959 21.123 2101.09   100.105 2020.69   173.437 2141.25   122.585 864.037 37.440 891.718 25.641 -27.68091      45.37888 
1 1 1 1   10 7  f 948.768 22.224 2421.42   113.048 2301.10   195.826 2481.56   138.447 921.416 39.641 959.704 26.908 -38.28741      47.91056 
1 1 1 1   10 9  o 360.650 15.798 349.323   30.547  328.827   53.207  359.400   37.308  347.987 28.777 365.159 19.123 -17.17227      34.55165 
1 1 1 1   10 11 o 268.514 19.220 194.870   27.486  0.0000    0.0000  194.870   27.486  ?       ?      268.514 19.220 0.000000       19.21993 
1 1 1 1   10 13 o 536.657 16.956 774.230   48.785  769.196   84.811  776.719   59.639  532.516 29.826 537.144 20.709 -4.628357      36.31091 
1 1 1 1   10 15 o 300.489 15.950 243.434   25.604  233.916   31.400  262.320   44.231  294.046 20.037 310.403 26.842 -16.35703      33.49619 
1 1 1 1   10 17 o 522.996 17.077 736.091   47.883  736.091   47.883  0.0000    0.0000  522.996 17.077 ?       ?      0.000000       17.07701 
1 1 1 1   10 19 o 418.630 14.256 471.369   31.997  459.032   36.838  509.271   64.569  412.864 16.642 432.196 28.017 -19.33145      32.58681 
1 1 1 1   10 21 o 331.351 14.242 295.687   25.300  298.029   29.329  288.876   50.015  332.403 16.457 323.912 29.112 8.490997       33.44141 
1 1 1 1   10 23 o 181.313 17.876 89.939    17.151  97.891    20.615  72.057    30.914  188.605 20.729 157.226 37.246 31.37833       42.62580 
1 1 1 1   10 25 o 210.456 23.132 123.300   25.670  140.315   39.224  110.553   33.950  220.120 34.360 195.209 33.655 24.91176       48.09610 
1 1 1 1   10 27 o 87.362  24.835 21.912    12.182  -2.5276   20.197  35.890    15.274  67.089  29.392 111.034 26.098 -43.94501      39.30666 
1 1 1 1   10 29 o 276.811 18.091 212.301   26.700  226.371   33.883  189.251   43.368  283.416 22.484 252.187 32.856 31.22969       39.81265 
1 1 1 1   10 31 o 145.135 27.516 63.097    20.627  61.390    25.133  66.618    36.101  139.594 33.917 139.943 43.509 -0.3491974     55.16656 
1 1 1 1   10 33 o 154.273 26.516 72.672    21.141  72.198    40.009  72.855    24.902  137.072 46.075 150.540 31.848 -13.46791      56.01102 
1 1 1 1   10 35 o 107.999 31.517 39.457    19.381  38.487    32.596  39.988    24.105  103.609 40.497 106.258 35.764 -2.648369      54.02842 
1 1 1 1   10 37 o 97.580  37.298 34.819    27.201  2.6564    46.712  51.320    33.459  85.679  40.196 111.318 41.629 -25.63881      57.86747 
1 1 1 1   10 39 o 129.831 34.183 64.645    24.120  55.560    44.055  68.535    28.825  103.124 44.299 126.768 38.790 -23.64358      58.88126 
1 1 1 1   10 41 f 94.113  37.027 44.783    27.400  22.728    42.230  60.818    36.008  78.656  37.299 99.586  41.246 -20.92989      55.61008 
1 1 1 1   11 0  o 144.158 14.407 56.341    10.985  47.365    15.486  65.435    15.586  130.800 22.918 154.871 19.182 -24.07083      29.88634 
1 1 1 1   11 2  o 410.815 15.979 453.204   35.194  476.487   60.979  441.575   43.096  419.667 27.250 405.319 19.832 14.34732       33.70251 
1 1 1 1   11 4  o 1259.83 23.174 4270.94   156.524 4287.21   221.380 4254.69   221.337 1259.82 32.776 1255.00 32.896 4.822754       46.43702 
1 1 1 1   11 6  o 560.691 17.261 844.648   51.888  868.742   89.700  832.531   63.611  566.620 29.630 556.322 21.327 10.29877       36.50775 
1 1 1 1   11 8  o 343.874 15.512 317.624   28.599  344.246   49.427  304.226   35.064  356.409 26.047 335.779 19.563 20.62973       32.57536 
1 1 1 1   11 10 o 236.931 13.769 151.255   17.415  140.598   24.570  162.015   24.689  227.683 20.342 244.704 18.967 -17.02170      27.81255 
1 1 1 1   11 12 f 470.297 14.296 594.174   36.046  579.287   50.953  609.089   51.000  463.845 20.489 475.677 19.998 -11.83105      28.63099 
1 1 1 1   11 14 o 362.108 15.851 352.538   30.772  362.831   37.899  332.624   52.716  366.585 19.352 349.473 28.381 17.11224       34.35097 
1 1 1 1   11 16 o 320.604 13.928 276.281   23.941  272.349   27.578  288.308   48.230  317.750 16.243 325.026 27.950 -7.275848      32.32658 
1 1 1 1   11 18 o 220.243 14.425 131.067   16.939  145.111   19.568  89.083    33.833  231.610 15.854 177.045 36.843 54.56468       40.10884 
1 1 1 1   11 20 f 317.160 14.975 271.191   25.463  255.208   30.955  304.643   44.781  306.584 18.925 333.508 25.231 -26.92444      31.54020 
1 1 1 1   11 22 o 114.020 22.753 36.720    13.422  38.430    16.502  33.378    23.068  115.929 27.046 109.644 34.876 6.285080       44.13411 
1 1 1 1   11 24 o 214.260 22.641 127.582   25.614  152.599   39.626  109.626   33.571  230.290 33.041 194.436 33.408 35.85323       46.98755 
1 1 1 1   11 26 o 365.810 16.069 364.990   31.514  364.990   31.514  0.0000    0.0000  365.810 16.069 ?       ?      0.000000       16.06851 
1 1 1 1   11 28 o 150.359 22.670 64.505    17.707  70.998    22.953  54.962    27.827  155.319 28.619 133.026 37.437 22.29308       47.12294 
1 1 1 1   11 30 o 85.696  31.277 19.531    18.689  24.818    23.233  9.8360    31.460  94.885  34.836 88.545  37.718 6.340477       51.34389 
1 1 1 1   11 32 o 80.216  29.059 17.986    16.089  17.487    26.016  18.295    20.473  87.044  35.445 83.669  32.264 3.375313       47.93031 
1 1 1 1   11 34 o 70.806  29.253 9.5712    18.046  -7.7909   38.307  14.524    20.459  79.740  37.075 78.056  31.560 1.683807       48.68927 
1 1 1 1   11 36 o 91.297  41.800 13.549    46.063  13.549    46.063  0.0000    0.0000  91.297  41.800 ?       ?      0.000000       41.79966 
1 1 1 1   11 38 o 89.540  33.552 29.113    21.757  46.015    42.857  23.244    25.254  100.680 43.472 84.161  34.670 16.51873       55.60442 
1 1 1 1   11 40 o 62.729  29.041 0.5638    23.124  51.940    70.366  -5.6563   24.484  89.480  43.792 60.683  28.664 28.79720       52.33920 
1 1 1 1   12 1  o 416.461 16.070 465.897   35.880  459.748   43.919  478.237   62.215  413.481 19.812 420.174 27.775 -6.693939      34.11659 
1 1 1 1   12 3  o 459.375 20.427 567.639   50.308  591.627   70.804  543.181   71.494  467.390 28.390 447.502 29.972 19.88815       41.28376 
1 1 1 1   12 5  o 307.705 19.564 255.673   32.107  255.673   32.107  0.0000    0.0000  307.705 19.564 ?       ?      0.000000       19.56375 
1 1 1 1   12 7  o 359.451 15.961 347.170   30.758  344.020   52.634  348.804   37.903  355.905 27.805 359.536 19.739 -3.630737      34.09926 
1 1 1 1   12 9  o 436.472 14.206 511.718   33.242  529.123   47.148  494.512   46.877  443.408 19.833 428.612 20.400 14.79584       28.45156 
1 1 1 1   12 11 o 1140.75 25.203 3512.76   154.137 3520.57   188.883 3497.19   266.678 1140.02 30.904 1130.20 44.011 9.822021       53.77728 
1 1 1 1   12 13 o 291.122 13.754 227.734   21.467  210.661   30.067  245.485   30.659  278.886 20.247 301.329 19.076 -22.44241      27.81816 
1 1 1 1   12 15 o 381.587 13.984 391.508   28.608  410.878   40.357  371.943   40.559  390.382 19.282 370.735 20.485 19.64703       28.13264 
1 1 1 1   12 17 o 429.668 14.434 497.030   33.250  500.040   38.358  487.930   66.690  430.666 16.613 421.810 29.679 8.856140       34.01193 
1 1 1 1   12 19 o 247.260 16.801 165.977   22.140  168.176   27.003  161.467   38.672  248.149 20.480 240.368 30.711 7.781342       36.91320 
1 1 1 1   12 21 o 253.411 20.231 176.018   27.257  176.018   27.257  0.0000    0.0000  253.411 20.231 ?       ?      0.000000       20.23057 
1 1 1 1   12 23 o 275.974 16.912 207.962   24.902  207.962   24.902  0.0000    0.0000  275.974 16.912 ?       ?      0.000000       16.91220 
1 1 1 1   12 25 o 292.082 14.210 231.791   22.251  237.325   26.003  216.656   43.002  294.414 16.541 275.001 29.635 19.41324       33.93835 
1 1 1 1   12 27 o 277.544 15.052 211.033   22.314  210.690   25.144  212.308   48.411  276.483 17.046 266.637 34.686 9.846039       38.64856 
1 1 1 1   12 29 o 120.562 33.908 45.460    22.836  71.412    29.790  8.4810    35.560  149.312 37.317 91.647  39.585 57.66525       54.40167 
1 1 1 1   12 31 o 192.946 19.460 106.449   19.855  110.622   22.752  93.122    40.661  194.971 22.159 159.143 45.418 35.82697       50.53579 
1 1 1 1   12 33 f 350.234 26.690 373.544   49.739  373.544   49.739  0.0000    0.0000  350.234 26.690 ?       ?      0.000000       26.69002 
1 1 1 1   12 35 o 64.629  30.619 -18.2959  28.327  -29.0681  49.315  -12.9912  34.607  79.691  38.453 73.450  34.503 6.240318       51.66372 
1 1 1 1   12 37 o 96.388  37.182 35.196    27.199  87.197    60.046  21.772    30.509  119.730 51.578 85.988  36.899 33.74288       63.41742 
1 1 1 1   12 39 o 112.933 41.280 64.779    32.572  0.0000    0.0000  64.779    32.572  ?       ?      112.933 41.280 0.000000       41.27980 
1 1 1 1   13 0  o 316.445 13.715 268.896   23.269  251.977   32.867  285.897   32.947  305.361 20.190 325.493 18.962 -20.13181      27.69806 
1 1 1 1   13 2  o 354.375 13.872 337.241   26.355  312.594   37.334  361.725   37.210  340.202 20.566 366.238 19.016 -26.03629      28.01008 
1 1 1 1   13 4  o 520.244 14.838 727.055   41.387  735.888   58.525  718.219   58.536  522.856 20.878 516.515 21.138 6.341736       29.71044 
1 1 1 1   13 6  o 591.313 17.990 940.354   57.031  1026.90   98.551  896.774   69.930  616.175 29.832 576.906 22.609 39.26984       37.43199 
1 1 1 1   13 8  o 404.897 16.289 440.749   35.361  442.392   43.486  437.541   60.752  405.353 20.010 401.255 28.424 4.097504       34.76125 
1 1 1 1   13 10 o 297.477 16.066 238.663   25.528  236.849   31.221  242.321   44.339  295.876 19.796 297.927 28.091 -2.050995      34.36523 
1 1 1 1   13 12 o 248.811 16.536 167.346   21.933  168.153   26.514  165.597   39.033  248.928 20.037 245.095 30.354 3.833725       36.37055 
1 1 1 1   13 14 o 419.728 16.511 474.694   37.154  487.971   45.464  448.002   64.465  425.056 19.951 404.335 29.951 20.72076       35.98720 
1 1 1 1   13 16 o 468.350 20.735 594.360   52.065  591.380   72.842  597.472   74.446  463.791 29.447 465.981 29.958 -2.189819      42.00723 
1 1 1 1   13 18 o 162.802 17.219 72.527    14.801  77.897    17.632  59.713    27.237  168.227 19.937 143.518 35.577 24.70874       40.78226 
1 1 1 1   13 20 o 63.402  26.484 2.6642    15.027  18.191    32.887  -1.4328   16.894  101.487 40.362 62.892  27.225 38.59432       48.68535 
1 1 1 1   13 22 o 69.840  24.634 12.012    11.482  12.012    11.482  0.0000    0.0000  69.840  24.634 ?       ?      0.000000       24.63439 
1 1 1 1   13 24 o 135.444 21.799 51.879    15.292  51.879    15.292  0.0000    0.0000  135.444 21.799 ?       ?      0.000000       21.79885 
1 1 1 1   13 26 o 253.810 15.522 176.803   21.021  174.872   24.090  182.966   43.034  251.418 17.991 248.462 33.131 2.955551       37.70073 
1 1 1 1   13 28 o 335.978 18.791 315.487   33.712  302.596   41.210  341.566   58.615  325.047 23.813 335.949 32.968 -10.90158      40.66917 
1 1 1 1   13 30 o 281.867 16.156 221.758   24.312  220.010   27.668  227.680   50.931  278.965 18.606 265.239 36.808 13.72583       41.24318 
1 1 1 1   13 32 f 219.117 21.397 139.705   24.816  139.705   24.816  0.0000    0.0000  219.117 21.397 ?       ?      0.000000       21.39723 
1 1 1 1   13 34 o 87.549  29.636 24.171    16.553  16.513    18.236  60.019    39.455  78.398  30.388 122.161 45.299 -43.76277      54.54773 
1 1 1 1   13 36 o 154.091 32.506 82.576    26.010  74.903    31.373  99.440    46.513  136.727 40.156 141.127 49.601 -4.399918      63.81819 
1 1 1 1   13 38 o 187.493 43.121 157.368   42.441  150.646   70.249  161.232   53.260  127.704 55.398 162.463 53.112 -34.75916      76.74532 
1 1 1 1   14 1  o 316.982 16.159 270.815   27.370  246.223   47.449  283.078   33.506  300.160 29.882 323.720 19.395 -23.55960      35.62459 
1 1 1 1   14 3  o 995.121 28.326 2678.83   151.122 2733.92   213.935 2623.97   213.504 1000.86 39.869 980.195 40.628 20.66736       56.92242 
1 1 1 1   14 5  o 716.256 19.348 1381.51   74.297  1397.78   91.116  1349.22   128.348 719.662 23.615 704.513 33.980 15.14807       41.38059 
1 1 1 1   14 7  o 238.130 14.444 152.994   18.353  140.065   25.732  166.381   26.184  226.893 21.407 247.686 19.885 -20.79379      29.21777 
1 1 1 1   14 9  o 488.290 14.592 641.294   38.200  657.806   54.043  624.808   54.002  493.742 20.416 481.117 20.936 12.62479       29.24227 
1 1 1 1   14 11 o 476.953 14.662 612.342   37.493  617.946   52.918  606.693   53.127  478.159 20.643 473.734 20.917 4.425446       29.38805 
1 1 1 1   14 13 o 540.409 17.226 788.452   49.907  831.917   86.323  766.630   61.166  550.672 29.345 531.840 21.452 18.83197       36.34958 
1 1 1 1   14 15 f 251.012 13.727 170.357   18.403  172.634   25.876  168.027   26.178  251.643 19.327 248.129 19.844 3.513779       27.70098 
1 1 1 1   14 17 o 69.973  24.544 11.958    11.387  16.217    13.630  2.1224    20.716  79.350  26.892 72.841  30.800 6.508980       40.88763 
1 1 1 1   14 19 o 153.880 25.276 66.866    20.128  66.866    20.128  0.0000    0.0000  153.880 25.276 ?       ?      0.000000       25.27596 
1 1 1 1   14 21 o 192.551 15.819 101.409   16.186  110.050   19.012  78.659    30.850  200.094 17.912 162.670 36.295 37.42303       40.47443 
1 1 1 1   14 23 o 64.923  23.659 9.8187    10.688  8.8808    11.454  16.132    29.718  64.561  24.315 94.821  38.143 -30.26018      45.23379 
1 1 1 1   14 25 o 93.063  33.038 23.311    20.684  -3.8762   29.351  50.133    29.152  78.795  34.937 127.235 39.023 -48.44056      52.37727 
1 1 1 1   14 27 o 172.054 31.428 90.103    27.922  90.103    27.922  0.0000    0.0000  172.054 31.428 ?       ?      0.000000       31.42753 
1 1 1 1   14 29 o 149.052 25.240 66.108    19.450  66.108    19.450  0.0000    0.0000  149.052 25.240 ?       ?      0.000000       25.24022 
1 1 1 1   14 31 o 192.996 20.883 107.665   21.263  113.880   24.036  85.294    45.602  196.914 23.213 147.406 49.192 49.50780       54.39409 
1 1 1 1   14 33 o 307.093 18.847 270.761   30.881  252.104   37.509  310.009   54.404  289.987 24.351 307.952 33.491 -17.96564      41.40859 
1 1 1 1   14 35 o 174.093 26.184 96.010    23.682  90.207    28.219  109.833   43.551  160.667 33.829 156.739 47.622 3.927963       58.41440 
1 1 1 1   15 0  o 380.202 16.213 389.114   33.048  390.792   40.509  385.776   57.147  380.102 19.948 375.884 28.571 4.217468       34.84599 
1 1 1 1   15 2  o 265.695 13.988 190.363   19.855  192.418   28.166  188.333   27.993  266.337 19.868 263.464 19.966 2.873260       28.16741 
1 1 1 1   15 4  o 535.888 15.145 772.885   43.512  791.501   61.477  754.197   61.595  541.277 21.185 528.258 21.748 13.01953       30.36084 
1 1 1 1   15 6  o 475.297 16.987 608.919   43.286  608.099   74.990  609.328   53.008  471.400 29.826 474.803 20.824 -3.402771      36.37570 
1 1 1 1   15 8  o 141.006 23.636 55.356    17.236  0.0000    0.0000  55.356    17.236  ?       ?      141.006 23.636 0.000000       23.63618 
1 1 1 1   15 10 o 159.119 22.040 69.956    18.298  0.0000    0.0000  69.956    18.298  ?       ?      159.119 22.040 0.000000       22.04042 
1 1 1 1   15 12 o 84.246  23.491 19.896    11.010  37.460    21.333  13.519    12.854  114.941 32.929 74.460  26.080 40.48039       42.00568 
1 1 1 1   15 14 o 124.714 17.501 42.928    11.379  49.389    16.813  37.467    15.457  132.360 24.599 114.740 25.759 17.61986       35.61781 
1 1 1 1   15 16 f 238.758 21.214 156.756   26.872  198.396   43.189  130.453   34.326  265.360 30.938 214.618 30.708 50.74217       43.59070 
1 1 1 1   15 18 o 220.730 23.775 135.552   27.691  122.358   42.853  145.011   36.284  202.722 40.840 225.729 30.784 -23.00655      51.14260 
1 1 1 1   15 20 o 124.511 26.949 44.792    17.468  54.517    21.644  26.624    29.583  136.646 30.335 104.890 39.159 31.75607       49.53444 
1 1 1 1   15 22 o 147.247 27.989 63.014    21.287  66.611    26.455  56.409    35.853  149.184 33.853 135.717 43.512 13.46724       55.13019 
1 1 1 1   15 24 o 240.593 17.052 159.961   21.853  176.022   24.899  106.114   45.592  251.745 18.580 178.655 46.976 73.08966       50.51646 
1 1 1 1   15 26 o 154.569 22.775 68.939    18.308  66.532    21.483  75.327    34.995  149.294 27.864 150.528 41.850 -1.233490      50.27733 
1 1 1 1   15 28 o 190.886 20.786 104.102   20.929  104.102   20.929  0.0000    0.0000  190.886 20.786 ?       ?      0.000000       20.78615 
1 1 1 1   15 30 o 160.288 23.494 75.646    19.590  69.171    22.148  98.918    41.992  150.065 28.573 164.459 45.885 -14.39418      54.05395 
1 1 1 1   15 32 o 85.066  31.932 20.809    19.724  11.784    22.648  49.148    40.133  78.161  32.570 115.662 45.012 -37.50050      55.55935 
1 1 1 1   15 34 o 181.877 25.197 103.014   23.910  86.209    28.456  143.376   44.098  156.548 34.805 189.701 44.182 -33.15277      56.24434 
1 1 1 1   16 1  o 192.736 17.068 101.023   17.454  104.967   21.348  93.071    30.314  195.860 20.641 181.604 32.319 14.25586       38.34790 
1 1 1 1   16 3  o 632.925 15.974 1080.44   54.205  1065.79   76.569  1095.15   76.746  626.648 22.791 635.310 22.532 -8.662231      32.04861 
1 1 1 1   16 5  o 333.181 16.234 299.572   28.998  296.437   50.134  301.148   35.549  327.918 28.808 332.901 20.010 -4.982178      35.07629 
1 1 1 1   16 7  f 224.096 14.561 135.964   17.399  140.490   24.202  131.122   25.032  226.813 20.111 218.740 21.628 8.073013       29.53385 
1 1 1 1   16 9  o 327.721 16.351 290.232   28.729  306.813   35.991  261.117   47.693  335.691 20.090 306.844 29.349 28.84692       35.56686 
1 1 1 1   16 11 o 181.246 18.481 89.967    17.707  82.445    33.479  92.888    20.864  168.231 38.014 183.496 21.623 -15.26443      43.73334 
1 1 1 1   16 13 o 137.613 19.029 52.399    13.664  63.444    17.604  35.659    21.671  150.845 22.452 112.059 33.492 38.78552       40.32092 
1 1 1 1   16 15 o 70.802  23.708 13.034    10.592  -17.0909  27.336  18.356    11.490  70.030  32.113 81.231  24.411 -11.20054      40.33827 
1 1 1 1   16 17 o 115.261 28.865 38.503    17.798  31.275    21.151  56.031    32.939  105.339 33.384 137.375 41.343 -32.03609      53.13886 
1 1 1 1   16 19 o 547.658 17.415 818.700   51.133  740.287   86.712  860.502   63.312  509.290 31.919 559.108 21.121 -49.81775      38.27409 
1 1 1 1   16 21 o 303.524 14.448 250.840   23.511  226.696   26.662  335.266   49.858  287.060 17.406 343.241 27.319 -56.18097      32.39344 
1 1 1 1   16 23 o 163.928 20.952 76.018    17.993  77.323    21.053  72.483    34.655  163.725 24.758 150.003 41.625 13.72153       48.43134 
1 1 1 1   16 25 o 77.979  30.478 12.963    18.462  12.963    18.462  0.0000    0.0000  77.979  30.478 ?       ?      0.000000       30.47830 
1 1 1 1   16 27 o 78.601  29.109 15.676    16.281  21.072    19.059  1.1091    31.317  87.658  31.647 82.371  36.327 5.286613       48.17889 
1 1 1 1   16 29 o 317.816 22.683 291.670   38.397  291.363   51.949  292.039   57.004  307.134 32.019 302.662 35.825 4.472321       48.04878 
1 1 1 1   16 31 o 81.161  30.650 18.091    18.231  20.095    20.416  10.204    40.500  84.876  32.343 91.441  40.763 -6.565079      52.03600 
1 1 1 1   16 33 o 112.330 33.286 44.168    21.475  44.168    21.475  0.0000    0.0000  112.330 33.286 ?       ?      0.000000       33.28635 
1 1 1 1   17 0  o 141.171 19.176 54.953    14.138  57.325    24.452  53.762    17.328  141.314 32.890 138.517 24.215 2.796448       40.84306 
1 1 1 1   17 2  o 400.014 14.199 431.497   30.451  404.249   42.947  459.045   43.182  385.311 20.867 411.487 19.574 -26.17551      28.61097 
1 1 1 1   17 4  o 97.500  20.577 26.764    10.418  22.140    14.451  31.768    15.034  89.674  27.470 105.696 26.562 -16.02113      38.21149 
1 1 1 1   17 6  o 55.096  23.456 0.2058    12.154  -6.2766   16.858  7.2228    17.539  58.941  26.285 72.893  29.310 -13.95231      39.36985 
1 1 1 1   17 8  o 323.443 16.980 283.995   29.341  300.283   36.307  253.331   49.816  331.673 20.519 300.876 31.343 30.79672       37.46169 
1 1 1 1   17 10 o 284.109 16.320 219.243   24.755  237.879   31.287  188.047   40.480  295.062 19.894 259.082 29.678 35.97980       35.72898 
1 1 1 1   17 12 o 414.695 16.557 466.250   36.811  509.819   65.396  446.043   44.538  427.991 28.666 403.854 20.639 24.13748       35.32267 
1 1 1 1   17 14 o 190.663 18.153 99.813    18.332  111.645   30.623  93.204    22.887  198.073 29.757 182.580 23.959 15.49280       38.20349 
1 1 1 1   17 16 o 272.297 16.837 202.594   24.459  201.097   40.376  203.462   30.742  266.586 28.702 271.356 21.302 -4.769989      35.74317 
1 1 1 1   17 18 o 416.104 14.497 470.652   32.341  484.976   46.183  456.868   45.305  419.475 20.536 406.479 20.859 12.99527       29.27149 
1 1 1 1   17 20 o 210.192 21.568 123.954   23.960  121.580   28.975  129.088   42.610  205.667 26.924 204.069 40.376 1.598297       48.52986 
1 1 1 1   17 22 o 263.160 19.780 193.214   27.702  193.214   27.702  0.0000    0.0000  263.160 19.780 ?       ?      0.000000       19.77952 
1 1 1 1   17 24 o 300.387 19.285 251.780   30.893  248.865   37.835  257.614   53.515  295.424 24.097 291.403 34.951 4.021576       42.45322 
1 1 1 1   17 26 o 148.322 30.129 66.868    23.141  64.728    27.910  71.574    41.395  142.324 36.425 143.706 46.816 -1.381546      59.31728 
1 1 1 1   17 28 o 126.349 35.277 51.983    24.811  60.947    31.300  36.825    40.701  133.726 40.314 111.553 44.721 22.17298       60.20968 
1 1 1 1   17 30 o 106.189 33.466 37.147    21.278  33.544    24.804  47.185    41.403  101.514 36.164 115.126 45.445 -13.61187      58.07795 
1 1 1 1   18 1  o 345.753 16.215 323.358   30.059  360.311   52.964  305.801   36.507  360.961 27.577 334.759 20.439 26.20218       34.32564 
1 1 1 1   18 3  o 305.071 13.978 251.197   22.863  248.281   32.212  254.156   32.455  301.578 20.037 305.164 19.947 -3.585907      28.27283 
1 1 1 1   18 5  o 199.077 17.821 108.299   18.819  117.269   22.840  89.335    33.212  206.503 20.919 175.406 36.504 31.09669       42.07298 
1 1 1 1   18 7  o 143.430 17.265 56.560    13.010  59.418    17.898  53.357    18.944  145.533 23.759 136.992 26.753 8.540329       35.78006 
1 1 1 1   18 9  o 402.300 14.517 437.713   31.311  449.943   45.037  426.272   43.561  405.506 20.786 394.718 20.656 10.78839       29.30384 
1 1 1 1   18 11 o 271.205 16.771 200.503   24.265  240.992   43.801  182.573   29.147  293.205 28.212 257.418 21.311 35.78674       35.35651 
1 1 1 1   18 13 o 296.374 29.124 248.235   45.679  248.235   45.679  0.0000    0.0000  296.374 29.124 ?       ?      0.000000       29.12399 
1 1 1 1   18 15 o 274.691 17.788 207.071   26.056  186.925   31.116  254.359   47.671  259.066 22.630 298.388 30.216 -39.32217      37.75029 
1 1 1 1   18 17 o 195.726 20.868 106.945   21.560  103.086   25.031  118.034   42.436  190.456 25.128 195.210 41.807 -4.753677      48.77745 
1 1 1 1   18 19 o 336.510 23.171 317.621   41.548  317.621   41.548  0.0000    0.0000  336.510 23.171 ?       ?      0.000000       23.17053 
1 1 1 1   18 21 o 139.285 29.096 57.479    21.027  55.114    25.869  62.083    36.097  133.933 35.466 139.589 43.524 -5.656570      56.14402 
1 1 1 1   18 23 o 111.642 30.486 37.632    18.761  41.070    22.267  29.218    34.833  115.855 33.774 107.361 41.892 8.494003       53.81078 
1 1 1 1   18 25 o 186.527 24.960 101.210   24.335  64.235    28.717  195.388   45.831  141.370 37.335 251.728 34.898 -110.3573      51.10577 
1 1 1 1   18 27 o 225.718 23.545 148.295   28.073  164.163   33.826  113.176   50.321  234.405 27.435 171.986 50.952 62.41872       57.86870 
1 1 1 1   18 29 o 85.437  34.921 17.134    25.370  17.134    25.370  0.0000    0.0000  85.437  34.921 ?       ?      0.000000       34.92065 
1 1 1 1   19 0  o 145.349 19.449 58.491    14.776  61.459    18.340  53.001    24.943  147.914 23.946 134.807 34.398 13.10706       41.91229 
1 1 1 1   19 2  o 226.505 16.675 139.870   20.108  140.759   24.680  138.113   34.679  226.254 20.570 221.028 30.043 5.225723       36.41056 
1 1 1 1   19 4  o 355.456 16.437 342.712   31.325  343.064   54.164  342.535   38.397  350.217 29.111 353.718 20.333 -3.500336      35.50903 
1 1 1 1   19 6  o 211.150 18.636 122.345   20.881  116.747   34.748  125.509   26.123  201.265 33.371 212.529 23.309 -11.26457      40.70583 
1 1 1 1   19 8  o 55.592  22.762 3.2352    10.802  -9.4194   21.098  7.7314    12.576  64.141  28.939 65.022  25.226 -0.8808441     38.39047 
1 1 1 1   19 10 o 121.792 22.462 42.054    14.126  19.842    23.880  54.011    17.521  93.352  35.117 137.789 24.621 -44.43626      42.88841 
1 1 1 1   19 12 o 108.785 21.805 33.703    12.275  36.136    18.105  31.633    16.698  111.233 29.771 104.385 28.868 6.848747       41.46889 
1 1 1 1   19 14 f 161.570 17.890 72.236    15.237  87.048    22.041  58.678    21.088  175.511 24.056 141.982 28.691 33.52962       37.44131 
1 1 1 1   19 16 o 156.727 21.556 69.078    17.633  63.905    24.266  74.866    25.668  146.945 31.731 159.596 31.116 -12.65070      44.44126 
1 1 1 1   19 18 o 154.568 22.258 67.591    17.913  71.558    29.906  65.371    22.371  153.088 36.875 149.413 28.972 3.674789       46.89552 
1 1 1 1   19 20 o 177.523 27.572 91.486    25.390  107.822   30.580  55.231    45.557  191.268 30.872 134.311 48.861 56.95683       57.79709 
1 1 1 1   19 22 o 80.693  31.986 12.889    20.590  14.494    24.358  8.8721    38.541  86.278  34.594 95.801  41.296 -9.523537      53.87066 
1 1 1 1   19 24 o 105.720 33.462 34.278    21.255  22.168    25.886  59.342    37.239  93.828  36.251 132.928 44.453 -39.09990      57.36043 
1 1 1 1   19 26 o 111.725 41.529 39.952    33.200  39.952    33.200  0.0000    0.0000  111.725 41.529 ?       ?      0.000000       41.52854 
1 1 1 1   20 1  o 157.692 17.455 68.463    14.510  59.769    19.872  78.390    21.235  144.714 26.593 166.922 24.454 -22.20781      36.12692 
1 1 1 1   20 3  o 205.246 15.430 114.915   16.854  118.239   23.616  111.464   24.062  206.520 21.651 200.080 22.841 6.439728       31.47162 
1 1 1 1   20 5  o 166.077 20.226 76.553    17.637  63.376    28.707  84.543    22.354  145.972 36.716 173.257 24.771 -27.28497      44.29057 
1 1 1 1   20 7  o 108.126 27.022 33.807    15.621  13.533    24.594  47.517    20.225  87.856  34.916 127.657 30.049 -39.80177      46.06588 
1 1 1 1   20 9  o 282.406 17.536 218.260   26.420  210.552   31.771  235.540   47.569  275.880 21.654 287.183 31.407 -11.30304      38.14885 
1 1 1 1   20 11 o 180.914 20.486 90.932    19.520  73.943    37.495  97.248    22.863  155.151 43.384 186.202 23.420 -31.05186      49.30189 
1 1 1 1   20 13 o 181.422 23.724 92.660    22.523  138.421   37.509  66.857    28.166  218.010 33.135 149.443 35.653 68.56729       48.67244 
1 1 1 1   20 15 o 218.687 19.267 132.315   22.358  106.195   40.744  143.570   26.745  185.402 41.967 226.707 22.292 -41.30516      47.52057 
1 1 1 1   20 17 f 128.162 31.142 48.923    21.188  29.541    39.776  56.601    25.035  112.918 44.552 136.930 34.203 -24.01251      56.16708 
1 1 1 1   20 19 o 329.431 17.952 299.722   31.587  416.666   65.284  263.978   36.093  376.451 32.671 306.790 22.092 69.66107       39.43855 
1 1 1 1   20 21 o 273.390 41.690 237.627   59.172  0.0000    0.0000  237.627   59.172  ?       ?      273.390 41.690 0.000000       41.68990 
1 1 1 1   20 23 o 144.079 52.233 75.757    51.997  75.757    51.997  0.0000    0.0000  144.079 52.233 ?       ?      0.000000       52.23320 
1 1 1 1   21 0  o 112.348 32.250 36.525    20.444  0.0000    0.0000  36.525    20.444  ?       ?      112.348 32.250 0.000000       32.25040 
1 1 1 1   21 2  o 298.543 17.307 243.295   27.582  251.726   46.270  238.648   34.353  298.832 29.255 294.072 21.947 4.760101       36.57250 
1 1 1 1   21 4  o 271.843 21.720 204.072   31.391  185.607   42.290  226.729   46.846  255.057 31.603 282.271 31.492 -27.21339      44.61509 
1 1 1 1   21 6  o 215.679 18.765 127.911   21.483  130.182   25.718  122.666   39.077  216.436 22.492 204.108 37.076 12.32796       43.36462 
1 1 1 1   21 8  o 98.094  25.550 27.695    13.570  36.929    19.736  19.413    18.690  112.596 31.472 88.008  31.388 24.58867       44.44870 
1 1 1 1   21 10 o 135.930 24.693 52.716    17.333  55.325    23.766  49.751    25.334  136.871 32.813 129.357 35.468 7.513443       48.31882 
1 1 1 1   21 12 o 95.085  25.915 26.099    13.572  33.876    21.093  20.604    17.731  108.081 33.200 88.433  30.650 19.64801       45.18466 
1 1 1 1   21 14 o 189.271 18.093 99.053    18.136  122.553   28.097  82.268    23.745  207.688 25.788 169.113 27.105 38.57472       37.41234 
1 1 1 1   21 16 o 153.265 24.256 67.245    19.268  65.701    36.082  67.861    22.789  144.145 43.246 152.041 29.015 -7.896393      52.07785 
1 1 1 1   21 18 o 190.357 20.905 102.024   20.983  111.078   36.263  97.466    25.728  189.869 36.953 183.168 27.010 6.700439       45.77194 
1 1 1 1   22 1  o 185.082 17.666 94.167    17.317  80.555    23.613  110.006   25.472  168.194 27.108 198.051 24.513 -29.85689      36.54746 
1 1 1 1   22 3  o 77.656  26.203 15.849    12.940  27.778    17.348  0.8872    19.429  98.823  30.063 69.088  29.541 29.73557       42.14738 
1 1 1 1   22 5  o 74.129  29.159 9.7309    16.990  9.7309    16.990  0.0000    0.0000  74.129  29.159 ?       ?      0.000000       29.15944 
1 1 1 1   22 7  o 155.364 19.504 67.124    15.888  58.899    22.153  75.837    22.800  142.086 30.021 162.800 27.072 -20.71416      40.42535 
1 1 1 1   22 9  o 156.949 20.635 68.870    16.943  86.923    24.862  53.217    23.151  174.117 27.550 133.973 32.552 40.14388       42.64532 
1 1 1 1   22 11 o 85.614  31.648 17.547    19.229  13.805    22.429  27.925    37.353  84.912  33.470 110.634 43.322 -25.72137      54.74536 
1 1 1 1   22 13 f 87.344  33.926 16.192    22.766  -12.3307  30.990  49.632    33.555  76.499  34.739 127.854 42.175 -51.35433      54.63959 
1 1 1 1   23 0  o 179.279 26.118 91.397    24.367  47.085    33.214  143.045   35.857  126.694 41.968 222.820 30.843 -96.12551      52.08253 
1 1 1 1   23 2  o 87.546  30.802 19.800    17.940  19.800    17.940  0.0000    0.0000  87.546  30.802 ?       ?      0.000000       30.80162 
1 1 1 1   23 4  o 101.938 30.525 30.042    17.989  51.821    28.056  14.838    23.442  131.186 37.816 87.281  34.277 43.90561       51.03889 
1 1 1 1   23 6  o 104.036 26.883 31.538    15.102  33.281    19.530  28.947    23.818  106.748 31.769 102.728 35.528 4.020126       47.66045 
1 1 1 2   0  0  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 2   0  2  o 385.738 27.391 405.810   55.990  405.810   55.990  405.810   55.990  385.738 27.391 385.738 27.391 0.000000       0.000000 
1 1 1 2   0  4  o 296.426 18.396 238.526   28.978  238.526   28.978  238.526   28.978  296.426 18.396 296.426 18.396 0.000000       0.000000 
1 1 1 2   0  6  o 788.969 24.514 1677.48   103.465 1677.48   103.465 1677.48   103.465 788.969 24.514 788.969 24.514 0.000000       0.000000 
1 1 1 2   0  8  o 52.194  25.790 10.777    8.6638  10.777    8.6638  10.777    8.6638  52.194  25.790 52.194  25.790 0.000000       0.000000 
1 1 1 2   0  10 o 458.395 28.548 573.297   69.535  573.297   69.535  573.297   69.535  458.395 28.548 458.395 28.548 0.000000       0.000000 
1 1 1 2   0  12 o 418.809 19.569 475.105   43.721  475.105   43.721  475.105   43.721  418.809 19.569 418.809 19.569 0.000000       0.000000 
1 1 1 2   0  14 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 2   0  16 o 448.167 20.006 543.226   47.853  543.226   47.853  543.226   47.853  448.167 20.006 448.167 20.006 0.000000       0.000000 
1 1 1 2   0  18 o 129.274 33.385 53.016    19.997  53.016    19.997  53.016    19.997  129.274 33.385 129.274 33.385 0.000000       0.000000 
1 1 1 2   0  20 o 151.759 20.361 65.088    15.729  65.088    15.729  65.088    15.729  151.759 20.361 151.759 20.361 0.000000       0.000000 
1 1 1 2   0  22 o 249.789 19.627 170.638   25.912  170.638   25.912  170.638   25.912  249.789 19.627 249.789 19.627 0.000000       0.000000 
1 1 1 2   0  24 o 169.732 40.429 89.729    31.926  89.729    31.926  89.729    31.926  169.732 40.429 169.732 40.429 0.000000       0.000000 
1 1 1 2   0  26 o 214.081 24.460 128.079   27.127  128.079   27.127  128.079   27.127  214.081 24.460 214.081 24.460 0.000000       0.000000 
1 1 1 2   0  28 o 52.660  35.170 -8.9221   27.231  -8.9221   27.231  -8.9221   27.231  52.660  35.170 52.660  35.170 0.000000       0.000000 
1 1 1 2   0  30 o 271.123 23.269 202.966   33.250  202.966   33.250  202.966   33.250  271.123 23.269 271.123 23.269 0.000000       0.000000 
1 1 1 2   0  32 o 494.487 22.441 666.886   59.214  666.886   59.214  666.886   59.214  494.487 22.441 494.487 22.441 0.000000       0.000000 
1 1 1 2   0  34 f 110.259 53.592 51.716    37.158  51.716    37.158  51.716    37.158  110.259 53.592 110.259 53.592 0.000000       0.000000 
1 1 1 2   0  36 o 301.162 24.258 252.974   38.583  252.974   38.583  252.974   38.583  301.162 24.258 301.162 24.258 0.000000       0.000000 
1 1 1 2   0  38 o 72.538  43.665 18.166    30.788  18.166    30.788  18.166    30.788  72.538  43.665 72.538  43.665 0.000000       0.000000 
1 1 1 2   0  40 o 68.104  45.492 -4.5890   45.595  -4.5890   45.595  -4.5890   45.595  68.104  45.492 68.104  45.492 0.000000       0.000000 
1 1 1 2   0  42 o 95.115  57.638 40.198    54.362  40.198    54.362  40.198    54.362  95.115  57.638 95.115  57.638 0.000000       0.000000 
1 1 1 2   0  44 o 44.749  31.869 -39.9030  33.472  -39.9030  33.472  -39.9030  33.472  44.749  31.869 44.749  31.869 0.000000       0.000000 
1 1 1 2   1  1  o 642.985 15.281 1109.92   52.678  1154.24   74.501  1065.61   74.493  655.243 21.208 629.509 22.072 25.73376       30.60945 
1 1 1 2   1  3  o 547.090 14.450 803.481   42.383  833.774   59.942  773.195   59.934  556.941 20.075 536.269 20.846 20.67169       28.94039 
1 1 1 2   1  5  o 105.406 15.402 30.465    8.4471  29.207    14.713  31.084    10.317  102.223 26.593 105.964 18.851 -3.741531      32.59641 
1 1 1 2   1  7  o 169.045 14.621 77.336    13.121  76.514    22.673  77.749    16.088  166.392 26.289 169.085 18.025 -2.692856      31.87477 
1 1 1 2   1  9  o 179.485 14.554 87.179    13.884  83.220    24.029  89.163    17.011  173.369 26.710 181.120 17.746 -7.751495      32.06752 
1 1 1 2   1  11 o 157.682 14.628 67.509    12.226  68.389    14.975  65.751    21.169  158.206 17.975 153.373 26.715 4.832840       32.19901 
1 1 1 2   1  13 o 210.989 14.669 120.539   16.490  119.264   20.193  123.091   28.570  209.303 18.176 211.067 25.783 -1.763489      31.54590 
1 1 1 2   1  15 o 218.260 18.316 129.488   21.235  0.0000    0.0000  129.488   21.235  ?       ?      218.260 18.316 0.000000       18.31630 
1 1 1 2   1  17 o 197.181 14.873 105.145   15.608  82.622    26.896  116.580   19.164  171.995 30.273 207.370 17.398 -35.37544      34.91674 
1 1 1 2   1  19 f 438.477 13.989 516.493   32.885  526.272   46.648  506.832   46.366  442.147 19.679 433.880 19.932 8.266724       28.00984 
1 1 1 2   1  21 o 647.039 15.842 1125.63   54.954  1116.75   77.718  1134.51   77.716  643.504 22.527 648.632 22.348 -5.128296      31.73147 
1 1 1 2   1  23 o 246.292 20.322 164.749   26.595  164.104   37.306  165.416   37.923  244.159 29.071 245.066 29.453 -0.9070129     41.38357 
1 1 1 2   1  25 o 301.687 16.562 246.048   26.685  251.959   47.277  243.285   32.326  302.589 29.519 299.359 20.261 3.229645       35.80299 
1 1 1 2   1  27 o 350.736 16.750 332.261   31.496  402.222   55.100  298.309   38.385  382.703 27.029 330.791 21.766 51.91159       34.70284 
1 1 1 2   1  29 o 726.929 19.692 1441.03   76.747  1525.74   94.458  1276.47   131.648 745.200 23.643 669.272 36.831 75.92798       43.76647 
1 1 1 2   1  31 o 328.655 15.805 294.970   27.848  294.344   39.877  295.565   38.907  324.228 23.091 325.279 22.448 -1.051605      32.20407 
1 1 1 2   1  33 o 152.241 27.335 68.796    21.491  87.378    26.190  30.487    37.605  170.612 29.712 108.543 43.163 62.06970       52.40036 
1 1 1 2   1  35 f 102.951 32.393 33.657    19.943  12.175    39.233  41.142    23.159  93.664  41.002 112.220 34.841 -18.55611      53.80547 
1 1 1 2   1  37 f 143.904 30.867 68.527    23.101  88.215    42.235  60.122    27.594  142.949 47.324 128.047 37.675 14.90144       60.48934 
1 1 1 2   1  39 o 98.436  34.948 38.124    23.145  15.142    30.758  68.124    35.142  79.691  35.525 119.189 42.982 -39.49812      55.76264 
1 1 1 2   1  41 o 73.949  34.623 7.2045    34.358  7.2045    34.358  0.0000    0.0000  73.949  34.623 ?       ?      0.000000       34.62254 
1 1 1 2   1  43 o 77.425  34.507 27.124    29.005  67.491    61.213  15.437    32.937  86.368  41.951 71.814  33.711 14.55323       53.81746 
1 1 1 2   1  45 o 90.484  39.630 79.642    36.694  43.155    68.108  94.564    43.555  68.463  34.796 88.983  40.705 -20.51929      53.55061 
1 1 1 2   2  0  o 419.221 15.751 471.889   35.401  460.527   43.338  494.671   61.368  413.961 19.527 427.716 26.899 -13.75543      33.23946 
1 1 1 2   2  2  o 235.737 14.477 149.746   18.209  155.187   31.460  147.006   22.329  238.810 24.939 233.227 17.997 5.583344       30.75493 
1 1 1 2   2  4  o 110.173 18.712 33.530    10.657  35.659    14.867  31.279    15.285  112.853 25.208 105.708 26.902 7.145149       36.86666 
1 1 1 2   2  6  o 370.557 15.236 368.884   30.269  357.337   52.515  374.629   37.041  362.858 27.192 373.239 18.511 -10.38126      32.89476 
1 1 1 2   2  8  o 433.097 13.629 504.039   31.647  497.098   44.744  510.988   44.766  429.568 19.428 435.557 19.171 -5.988312      27.29395 
1 1 1 2   2  10 o 275.999 18.316 206.356   26.949  206.356   26.949  0.0000    0.0000  275.999 18.316 ?       ?      0.000000       18.31616 
1 1 1 2   2  12 o 199.641 14.657 107.957   15.578  97.108    27.058  113.336   19.053  186.676 27.891 204.131 17.581 -17.45522      32.96948 
1 1 1 2   2  14 o 296.271 15.118 237.130   23.934  233.855   29.372  243.600   41.287  293.602 18.758 298.061 26.100 -4.458313      32.14128 
1 1 1 2   2  16 o 504.032 20.629 685.694   55.746  0.0000    0.0000  685.694   55.746  ?       ?      504.032 20.629 0.000000       20.62927 
1 1 1 2   2  18 o 431.843 13.893 501.016   32.165  521.366   45.612  480.886   45.365  440.072 19.332 422.577 20.024 17.49460       27.83311 
1 1 1 2   2  20 o 409.451 13.910 450.371   30.535  448.504   43.103  452.253   43.265  408.165 19.697 409.868 19.689 -1.702972      27.85002 
1 1 1 2   2  22 o 692.268 18.870 1291.06   70.037  1237.87   85.653  1398.40   121.663 676.910 23.601 717.257 31.638 -40.34698      39.47168 
1 1 1 2   2  24 o 202.352 15.103 110.822   16.266  116.027   22.766  105.392   23.250  206.203 20.881 196.133 22.519 10.06995       30.71035 
1 1 1 2   2  26 f 299.592 21.250 244.307   33.911  0.0000    0.0000  244.307   33.911  ?       ?      299.592 21.250 0.000000       21.25021 
1 1 1 2   2  28 o 592.326 15.885 948.858   50.446  905.369   71.358  992.308   71.325  575.769 23.116 603.281 22.052 -27.51190      31.94799 
1 1 1 2   2  30 o 589.069 18.543 949.665   58.563  975.491   72.310  900.433   99.838  593.992 22.706 560.064 33.402 33.92804       40.38857 
1 1 1 2   2  32 o 254.866 16.415 179.206   22.311  209.656   32.392  151.722   30.774  272.552 22.365 229.915 25.390 42.63734       33.83492 
1 1 1 2   2  34 o 272.456 19.439 209.848   28.209  224.142   36.200  187.749   45.011  277.419 24.594 243.801 35.477 33.61758       43.16774 
1 1 1 2   2  36 o 218.106 26.837 145.591   30.719  0.0000    0.0000  145.591   30.719  ?       ?      218.106 26.837 0.000000       26.83680 
1 1 1 2   2  38 o 253.618 18.830 189.842   25.421  222.103   37.457  162.293   34.613  262.274 27.025 219.653 30.190 42.62099       40.51950 
1 1 1 2   2  40 o 68.236  32.182 -4.0237   30.645  -4.0237   30.645  0.0000    0.0000  68.236  32.182 ?       ?      0.000000       32.18172 
1 1 1 2   2  42 o 98.931  35.647 45.421    24.165  84.733    36.869  15.815    31.996  119.058 43.858 74.715  34.439 44.34307       55.76306 
1 1 1 2   2  44 o 65.775  32.166 6.1885    37.747  0.0000    0.0000  6.1885    37.747  ?       ?      65.775  32.166 0.000000       32.16603 
1 1 1 2   3  1  o 1499.83 30.505 6072.82   245.289 6139.45   300.441 5939.63   424.786 1505.45 37.224 1472.39 53.812 33.05310       65.43170 
1 1 1 2   3  3  o 985.607 22.618 2615.04   119.516 2621.75   146.347 2601.60   207.090 985.838 27.689 978.875 39.460 6.963074       48.20585 
1 1 1 2   3  5  o 612.839 21.876 1011.70   71.878  1019.83   101.649 1003.56   101.651 613.030 31.029 608.047 31.288 4.983032       44.06530 
1 1 1 2   3  7  o 717.112 16.307 1383.37   62.694  1410.38   88.666  1356.38   88.660  722.852 22.879 708.782 23.331 14.07037       32.67737 
1 1 1 2   3  9  o 312.763 15.146 263.308   25.397  269.778   31.045  250.218   44.159  315.743 18.419 302.256 27.553 13.48724       33.14307 
1 1 1 2   3  11 f 338.461 15.466 308.771   28.065  318.197   34.328  289.772   48.736  342.649 18.758 324.653 28.283 17.99643       33.93764 
1 1 1 2   3  13 o 733.733 16.685 1452.43   65.633  1473.60   92.834  1431.27   92.805  736.753 23.503 725.960 23.844 10.79254       33.48022 
1 1 1 2   3  15 o 846.930 20.744 1936.75   94.191  1941.39   115.409 1927.48   163.003 846.414 25.432 838.727 36.250 7.686401       44.28131 
1 1 1 2   3  17 o 258.892 15.110 180.754   20.881  181.680   36.258  180.294   25.542  257.950 26.600 258.167 18.578 -0.2175293     32.44484 
1 1 1 2   3  19 f 897.772 26.472 2176.52   127.418 2193.55   180.226 2159.50   180.165 898.000 37.434 890.903 37.720 7.098022       53.14241 
1 1 1 2   3  21 o 357.651 19.656 345.594   37.544  351.554   53.218  339.688   52.974  359.336 27.841 353.108 28.218 6.227509       39.64108 
1 1 1 2   3  23 o 325.009 13.748 284.042   23.956  246.711   33.564  322.805   34.202  301.583 20.887 345.552 18.529 -43.96933      27.92130 
1 1 1 2   3  25 o 487.352 17.097 640.560   44.672  625.403   76.214  648.493   55.137  477.705 29.909 489.608 21.005 -11.90253      36.54768 
1 1 1 2   3  27 o 77.376  28.684 12.961    15.817  11.662    25.383  13.786    20.224  88.399  35.360 84.026  32.150 4.372559       47.79086 
1 1 1 2   3  29 o 80.271  28.122 16.220    14.946  32.038    20.658  -1.1540   21.651  106.203 32.895 71.160  30.812 35.04295       45.07161 
1 1 1 2   3  31 o 333.379 17.686 306.208   31.497  284.203   37.674  357.302   57.408  318.682 22.189 350.889 30.829 -32.20700      37.98389 
1 1 1 2   3  33 o 250.905 17.579 175.536   23.498  179.408   33.483  171.779   32.984  248.535 25.489 242.992 25.709 5.543213       36.20285 
1 1 1 2   3  35 o 242.871 26.461 176.938   33.898  0.0000    0.0000  176.938   33.898  ?       ?      242.871 26.461 0.000000       26.46116 
1 1 1 2   3  37 o 148.733 27.124 70.486    20.832  77.297    29.083  63.309    29.855  145.736 37.120 128.508 39.502 17.22807       54.20641 
1 1 1 2   3  39 o 95.037  36.229 36.215    25.622  44.558    31.075  18.499    45.282  100.717 39.493 86.183  40.151 14.53471       56.31826 
1 1 1 2   3  41 o 67.491  31.237 2.8161    26.725  -18.1222  34.155  35.877    42.918  64.394  31.291 88.221  40.375 -23.82767      51.08144 
1 1 1 2   3  43 o 66.204  31.324 6.0889    29.458  8.9368    67.285  5.4136    32.765  74.639  37.530 67.258  32.163 7.380798       49.42576 
1 1 1 2   3  45 o 74.356  36.197 61.831    46.256  97.405    75.221  40.198    58.658  72.304  36.729 67.743  34.186 4.560760       50.17711 
1 1 1 2   4  0  f 1385.42 25.129 5175.20   186.647 4994.79   263.946 5355.65   263.970 1356.80 36.285 1405.53 35.030 -48.73083      50.43562 
1 1 1 2   4  2  o 1071.36 20.890 3090.38   119.989 3099.18   169.691 3081.58   169.688 1070.54 29.566 1067.46 29.650 3.072144       41.87190 
1 1 1 2   4  4  f 555.578 20.112 831.311   59.906  831.311   59.906  0.0000    0.0000  555.578 20.112 ?       ?      0.000000       20.11200 
1 1 1 2   4  6  o 677.443 22.176 1239.25   80.542  1239.25   80.542  0.0000    0.0000  677.443 22.176 ?       ?      0.000000       22.17570 
1 1 1 2   4  8  o 175.104 12.249 82.824    11.427  86.711    13.158  70.896    23.049  179.004 13.817 159.208 28.027 19.79596       31.24749 
1 1 1 2   4  10 o 190.408 12.215 97.912    12.404  102.885   17.597  93.000    17.487  194.543 17.043 184.751 17.878 9.791550       24.70017 
1 1 1 2   4  12 o 453.881 16.280 555.483   39.616  601.592   68.535  532.346   48.549  469.089 27.370 443.587 20.414 25.50183       34.14463 
1 1 1 2   4  14 o 368.146 13.481 364.403   26.608  366.507   37.763  362.329   37.496  368.150 19.199 366.045 19.173 2.104706       27.13315 
1 1 1 2   4  16 o 1043.36 20.734 2932.48   115.981 2926.42   164.012 2938.54   164.031 1039.70 29.424 1041.88 29.366 -2.171387      41.57035 
1 1 1 2   4  18 o 465.299 16.426 581.962   40.977  577.404   50.186  591.078   70.974  463.148 20.211 466.801 28.496 -3.652344      34.93560 
1 1 1 2   4  20 o 356.676 15.776 342.017   30.168  321.909   51.929  352.261   37.064  343.773 28.430 361.221 19.207 -17.44803      34.31030 
1 1 1 2   4  22 o 203.478 16.286 112.140   17.618  103.961   21.327  129.713   31.261  195.224 20.692 217.067 27.477 -21.84294      34.39691 
1 1 1 2   4  24 o 510.970 14.910 702.862   40.845  720.704   57.749  685.003   57.779  516.372 20.860 503.309 21.412 13.06323       29.89352 
1 1 1 2   4  26 o 328.217 14.754 290.394   25.962  284.023   36.199  297.142   37.256  323.013 21.017 330.390 21.144 -7.376495      29.81246 
1 1 1 2   4  28 o 367.134 21.192 369.280   41.536  364.650   57.670  374.271   59.873  360.924 30.077 365.279 30.862 -4.354218      43.09348 
1 1 1 2   4  30 o 374.191 15.294 381.424   30.682  387.875   43.153  374.829   43.632  373.816 21.624 367.074 22.276 6.742096       31.04569 
1 1 1 2   4  32 o 326.773 18.448 296.945   32.187  299.836   38.724  290.486   57.890  325.680 22.312 308.674 35.636 17.00620       42.04499 
1 1 1 2   4  34 o 257.062 20.300 188.238   27.749  152.918   46.220  208.143   34.698  212.391 42.079 266.863 24.526 -54.47281      48.70483 
1 1 1 2   4  36 o 308.399 25.263 288.013   41.404  299.805   57.576  275.383   59.585  296.406 37.040 277.158 41.366 19.24844       55.52549 
1 1 1 2   4  38 o 86.662  33.900 25.680    22.854  41.535    28.654  -2.0346   37.885  101.588 38.412 77.035  36.159 24.55318       52.75350 
1 1 1 2   4  40 o 97.192  34.486 38.309    22.534  26.170    32.893  49.046    30.934  85.135  37.399 102.500 39.621 -17.36441      54.48370 
1 1 1 2   4  42 o 76.293  34.319 20.792    29.416  104.228   59.977  -5.6360   33.755  103.463 47.490 66.209  31.914 37.25388       57.21710 
1 1 1 2   4  44 o 64.533  30.443 12.123    27.454  42.821    43.647  -7.9727   35.315  75.572  36.392 60.396  29.842 15.17639       47.06340 
1 1 1 2   5  1  o 361.121 19.060 352.249   36.771  335.951   52.074  368.458   51.931  351.110 27.894 368.087 26.492 -16.97711      38.46929 
1 1 1 2   5  3  o 255.508 14.754 176.144   20.124  194.139   34.999  167.255   24.597  266.805 24.749 248.471 18.600 18.33363       30.95914 
1 1 1 2   5  5  o 489.308 14.066 643.979   36.900  681.724   52.204  606.290   52.165  502.684 19.370 473.871 20.533 28.81345       28.22777 
1 1 1 2   5  7  o 146.573 14.609 58.406    11.327  59.023    19.360  58.085    13.967  145.324 25.793 145.588 18.299 -0.2635040     31.62471 
1 1 1 2   5  9  o 223.458 17.901 135.650   21.266  128.896   29.781  142.677   30.377  216.128 26.240 227.755 25.305 -11.62718      36.45367 
1 1 1 2   5  11 o 622.735 17.909 1046.29   59.793  1041.65   73.169  1055.61   103.738 620.338 22.000 620.685 31.275 -0.3467407     38.23771 
1 1 1 2   5  13 o 370.067 12.832 368.042   25.459  387.725   36.092  348.548   35.918  379.398 17.744 359.142 18.719 20.25555       25.79219 
1 1 1 2   5  15 o 748.621 16.962 1506.99   68.077  1528.28   96.269  1485.70   96.281  752.751 23.854 742.126 24.199 10.62512       33.97932 
1 1 1 2   5  17 o 287.837 15.383 223.236   23.653  237.350   41.252  216.323   28.870  295.418 26.322 282.927 19.145 12.49020       32.54814 
1 1 1 2   5  19 o 101.222 19.402 28.500    10.146  24.965    12.405  35.644    17.635  94.429  24.346 112.679 29.017 -18.24969      37.87768 
1 1 1 2   5  21 o 281.103 15.941 213.263   23.926  224.641   41.186  207.467   29.395  286.755 27.111 276.711 19.948 10.04346       33.65907 
1 1 1 2   5  23 o 542.927 17.535 794.501   51.041  812.779   62.273  757.090   89.095  548.452 21.178 525.833 31.752 22.61920       38.16727 
1 1 1 2   5  25 o 181.097 15.477 89.040    14.883  88.333    20.852  89.774    21.248  179.188 22.179 180.612 22.426 -1.424561      31.54145 
1 1 1 2   5  27 f 286.736 21.087 225.120   32.189  196.106   44.635  256.565   46.466  263.787 32.231 303.526 28.903 -39.73956      43.29258 
1 1 1 2   5  29 o 535.613 15.508 780.240   44.532  762.762   63.105  797.577   62.851  525.496 22.399 537.774 21.799 -12.27820      31.25554 
1 1 1 2   5  31 o 376.038 17.439 389.429   35.159  414.908   61.680  377.165   42.791  376.723 30.808 366.726 21.863 9.996979       37.77794 
1 1 1 2   5  33 f 149.068 32.877 69.509    25.569  91.301    34.558  43.149    38.008  166.623 39.319 117.306 44.267 49.31715       59.20753 
1 1 1 2   5  35 o 94.777  32.370 28.233    19.750  35.623    23.546  10.694    36.274  104.129 35.345 89.286  39.247 14.84322       52.81612 
1 1 1 2   5  37 f 124.737 37.835 59.654    27.507  96.271    39.352  24.669    38.464  149.165 45.256 92.413  40.522 56.75240       60.74646 
1 1 1 2   5  39 o 75.346  31.438 16.076    21.140  44.846    31.420  -7.7180   28.574  100.801 39.653 66.072  31.135 34.72823       50.41547 
1 1 1 2   5  41 o 96.073  37.955 43.923    28.903  -3.2480   57.308  60.015    33.472  78.234  38.534 106.335 41.183 -28.10033      56.39979 
1 1 1 2   5  43 o 56.357  27.604 -16.1720  28.122  -57.1495  50.530  2.2165    33.849  60.326  30.588 65.596  31.703 -5.269909      44.05339 
1 1 1 2   6  0  o 57.049  14.777 9.0853    4.5557  13.361    6.3827  4.6443    6.5046  69.075  17.279 48.649  18.323 20.42545       25.18489 
1 1 1 2   6  2  o 395.401 15.647 420.993   33.170  414.004   40.597  435.030   57.529  391.641 19.335 399.283 27.033 -7.641632      33.23594 
1 1 1 2   6  4  o 285.532 12.953 219.271   19.829  228.486   28.096  210.126   27.990  290.457 18.133 278.375 18.865 12.08228       26.16683 
1 1 1 2   6  6  o 831.623 24.682 1877.58   110.045 0.0000    0.0000  1877.58   110.045 ?       ?      831.623 24.682 0.000000       24.68159 
1 1 1 2   6  8  f 580.145 16.562 907.310   51.513  1076.74   89.660  823.823   62.938  629.224 26.578 551.806 21.274 77.41833       34.04380 
1 1 1 2   6  10 o 605.416 15.234 986.454   49.448  980.407   57.048  1004.72   99.159  603.150 17.642 606.624 30.587 -3.474731      35.31017 
1 1 1 2   6  12 o 743.763 19.037 1489.86   75.910  1489.86   75.910  0.0000    0.0000  743.763 19.037 ?       ?      0.000000       19.03671 
1 1 1 2   6  14 o 701.842 18.565 1324.97   69.854  1342.42   85.579  1290.13   120.920 705.865 22.614 690.081 32.683 15.78345       39.74410 
1 1 1 2   6  16 o 171.154 16.218 79.419    14.704  87.196    26.408  75.925    17.701  177.466 28.738 166.773 20.210 10.69296       35.13317 
1 1 1 2   6  18 o 343.111 13.681 316.210   25.167  315.189   35.578  317.233   35.604  341.655 19.504 342.770 19.455 -1.115814      27.54805 
1 1 1 2   6  20 o 853.422 25.789 1969.99   117.998 1948.22   166.809 1991.79   166.939 844.783 36.830 854.336 36.447 -9.553528      51.81535 
1 1 1 2   6  22 o 277.462 16.083 207.956   23.822  222.176   29.201  179.662   41.190  286.383 19.129 255.117 30.734 31.26607       36.20038 
1 1 1 2   6  24 o 375.101 16.312 379.342   32.803  391.475   56.475  373.164   40.299  377.950 28.071 370.902 20.343 7.047180       34.66759 
1 1 1 2   6  26 o 234.968 14.991 149.684   18.786  127.412   26.203  173.238   26.947  214.966 23.098 251.770 20.132 -36.80347      30.63978 
1 1 1 2   6  28 o 344.059 16.560 322.073   30.546  301.389   53.252  332.216   37.291  325.724 30.862 347.689 20.091 -21.96518      36.82550 
1 1 1 2   6  30 o 134.412 27.873 53.094    19.427  0.0000    0.0000  53.094    19.427  ?       ?      134.412 27.873 0.000000       27.87321 
1 1 1 2   6  32 o 200.277 17.423 111.938   18.521  146.749   28.585  86.746    24.316  225.766 23.983 171.199 27.418 54.56714       36.42720 
1 1 1 2   6  34 o 96.008  27.463 28.408    14.849  42.593    25.239  20.898    18.364  113.534 36.519 85.690  31.045 27.84409       47.93148 
1 1 1 2   6  36 o 125.246 26.642 49.907    17.340  47.947    26.977  51.286    22.635  113.901 37.828 121.364 33.627 -7.463158      50.61317 
1 1 1 2   6  38 o 142.652 29.794 69.988    22.052  82.087    44.124  65.960    25.459  124.780 47.549 131.750 35.321 -6.969490      59.23247 
1 1 1 2   6  40 o 83.008  31.649 25.165    19.555  50.097    33.903  12.736    23.938  101.425 40.761 73.031  31.997 28.39430       51.81971 
1 1 1 2   6  42 o 83.959  36.042 34.692    29.129  39.744    40.203  29.109    42.263  84.303  38.764 79.858  37.703 4.445473       54.07525 
1 1 1 2   6  44 o 51.766  26.143 -41.5144  34.677  10.096    67.687  -59.8813  40.379  66.838  34.039 51.984  26.456 14.85394       43.11128 
1 1 1 2   7  1  o 351.887 18.864 335.200   35.459  316.772   50.012  353.829   50.284  340.124 27.666 359.953 26.237 -19.82986      38.12838 
1 1 1 2   7  3  o 487.843 16.554 641.404   43.295  643.906   74.900  640.149   53.058  485.317 28.918 486.703 20.334 -1.385834      35.35080 
1 1 1 2   7  5  o 480.549 13.866 621.262   35.723  652.049   50.568  590.593   50.472  491.506 19.190 467.610 20.132 23.89606       27.81314 
1 1 1 2   7  7  o 504.026 13.985 683.187   37.792  707.217   53.509  659.272   53.382  512.042 19.492 494.276 20.144 17.76556       28.03089 
1 1 1 2   7  9  o 267.001 12.633 191.518   18.084  197.534   25.692  185.611   25.459  270.290 17.830 261.916 18.244 8.374664       25.50996 
1 1 1 2   7  11 o 1025.19 22.977 2832.82   126.288 2832.82   126.288 0.0000    0.0000  1025.19 22.977 ?       ?      0.000000       22.97669 
1 1 1 2   7  13 o 403.898 13.958 438.052   30.224  447.691   34.815  408.564   60.895  408.213 15.908 387.822 29.509 20.39081       33.52345 
1 1 1 2   7  15 o 394.380 15.605 417.840   32.994  400.506   40.331  452.920   57.374  385.381 19.584 408.958 26.307 -23.57706      32.79646 
1 1 1 2   7  17 o 406.887 15.869 444.981   34.617  422.704   59.399  456.439   42.599  394.449 28.275 411.831 19.294 -17.38205      34.23043 
1 1 1 2   7  19 o 439.570 14.198 519.337   33.461  545.289   47.397  493.552   47.244  449.874 19.651 427.894 20.594 21.97995       28.46546 
1 1 1 2   7  21 o 396.201 14.046 422.133   29.835  426.396   42.093  417.829   42.293  397.583 19.748 393.015 20.140 4.568115       28.20590 
1 1 1 2   7  23 o 140.329 20.199 54.296    14.759  43.222    17.795  78.699    26.416  123.649 27.549 167.257 30.585 -43.60724      41.16314 
1 1 1 2   7  25 f 174.591 19.048 83.572    17.541  92.669    31.265  79.393    21.190  180.175 33.602 168.991 24.068 11.18350       41.33261 
1 1 1 2   7  27 o 318.016 14.454 273.963   24.643  288.074   35.117  260.272   34.591  323.860 20.328 307.483 21.111 16.37775       29.30688 
1 1 1 2   7  29 o 274.879 17.170 207.740   25.177  194.103   43.225  214.742   30.973  257.969 31.936 277.818 20.949 -19.84897      38.19351 
1 1 1 2   7  31 o 124.532 22.707 44.924    14.602  57.511    22.573  35.867    19.147  137.373 31.341 108.674 31.215 28.69969       44.23419 
1 1 1 2   7  33 o 162.244 44.149 92.827    39.427  92.827    39.427  0.0000    0.0000  162.244 44.149 ?       ?      0.000000       44.14942 
1 1 1 2   7  35 o 106.173 28.919 36.480    16.907  23.044    27.622  44.529    21.380  90.619  36.661 114.762 32.991 -24.14225      49.31974 
1 1 1 2   7  37 o 201.633 21.085 122.830   22.456  173.986   36.389  91.366    28.538  227.090 30.673 159.602 34.368 67.48827       46.06526 
1 1 1 2   7  39 o 104.368 33.628 41.943    21.394  -21.5047  43.435  62.266    24.582  72.281  35.162 126.633 35.028 -54.35197      49.63169 
1 1 1 2   7  41 f 48.029  23.603 -26.7389  21.105  12.262    42.175  -39.7680  24.377  77.054  36.748 47.996  23.898 29.05827       43.83520 
1 1 1 2   7  43 o 65.564  31.621 7.4795    33.247  58.877    62.967  -12.3886  39.149  78.185  38.845 62.012  30.778 16.17379       49.55999 
1 1 1 2   8  0  o 513.930 16.885 711.105   46.522  689.362   80.712  721.923   56.931  502.789 30.080 517.289 20.528 -14.49997      36.41725 
1 1 1 2   8  2  o 418.847 13.506 471.536   30.329  479.365   42.957  463.754   42.826  421.759 18.998 414.805 19.257 6.954529       27.05106 
1 1 1 2   8  4  o 119.910 16.028 39.358    10.046  38.346    12.313  41.372    17.374  117.637 20.254 121.256 27.373 -3.619034      34.05182 
1 1 1 2   8  6  o 302.591 14.759 246.072   23.944  234.030   29.159  271.001   41.955  294.297 18.576 315.834 24.981 -21.53650      31.13084 
1 1 1 2   8  8  o 717.125 23.421 1385.96   90.048  1432.90   127.383 1339.08   127.312 727.336 32.667 702.871 33.785 24.46509       46.99502 
1 1 1 2   8  10 o 271.301 15.372 198.334   22.268  195.964   27.154  203.199   38.908  269.309 18.927 273.186 26.915 -3.877197      32.90355 
1 1 1 2   8  12 o 984.355 22.828 2608.44   120.472 2607.44   147.441 2610.45   208.963 983.126 27.973 980.539 39.750 2.586487       48.60588 
1 1 1 2   8  14 o 679.256 22.954 1242.55   83.593  1238.67   117.799 1246.48   118.643 676.637 32.472 678.742 32.604 -2.105774      46.01592 
1 1 1 2   8  16 o 218.379 15.521 128.809   18.054  131.826   21.757  122.139   32.351  220.579 18.570 210.495 29.475 10.08406       34.83707 
1 1 1 2   8  18 o 641.502 15.515 1106.61   53.361  1069.40   61.499  1219.95   107.339 630.256 18.200 670.733 29.849 -40.47705      34.96063 
1 1 1 2   8  20 o 237.627 14.199 152.381   18.006  154.244   25.877  150.632   25.072  238.236 20.458 235.474 20.051 2.762589       28.64564 
1 1 1 2   8  22 o 88.415  24.963 21.782    12.352  24.335    15.140  16.701    21.358  93.927  27.976 89.086  33.270 4.841293       43.46904 
1 1 1 2   8  24 f 389.167 16.601 409.377   34.638  397.857   42.404  432.478   60.047  382.217 20.771 395.880 28.482 -13.66260      35.25153 
1 1 1 2   8  26 o 98.555  25.100 27.834    13.298  20.845    23.571  31.097    16.106  94.524  35.020 103.983 28.186 -9.458351      44.95381 
1 1 1 2   8  28 o 436.544 17.029 521.194   39.855  537.177   69.424  513.338   48.674  433.339 30.068 430.981 21.065 2.358276       36.71307 
1 1 1 2   8  30 o 202.903 19.521 115.297   20.974  148.639   27.589  69.644    32.284  228.917 22.783 147.633 39.857 81.28299       45.90882 
1 1 1 2   8  32 o 48.854  22.938 -13.5808  15.264  1.3863    21.084  -30.0623  22.125  69.732  30.300 53.100  25.656 16.63183       39.70236 
1 1 1 2   8  34 o 192.429 19.763 107.082   20.099  132.500   31.237  89.124    26.256  206.117 29.075 167.519 30.352 38.59712       42.03097 
1 1 1 2   8  36 o 147.225 27.831 70.292    21.163  66.030    42.606  71.688    24.384  120.258 46.495 144.333 32.316 -24.07497      56.62262 
1 1 1 2   8  38 o 79.803  32.023 19.579    20.889  -37.4254  47.897  32.969    23.214  72.413  35.581 94.115  34.777 -21.70127      49.75322 
1 1 1 2   8  40 o 97.264  34.008 38.912    21.853  23.989    40.853  44.893    25.864  83.949  38.772 100.656 36.786 -16.70689      53.44544 
1 1 1 2   8  42 o 86.790  34.185 37.315    23.380  44.436    42.354  34.194    28.039  82.856  38.678 81.575  35.193 1.280472       52.29247 
1 1 1 2   9  1  o 216.627 12.363 126.385   14.299  123.463   20.318  129.254   20.128  213.542 17.912 218.598 17.317 -5.055237      24.91407 
1 1 1 2   9  3  o 845.899 20.752 1925.34   94.114  1942.45   115.327 1891.23   162.838 848.868 25.341 835.137 36.369 13.73083       44.32637 
1 1 1 2   9  5  o 256.556 14.488 177.304   19.846  190.151   24.469  152.604   33.929  265.455 17.287 236.344 27.277 29.11122       32.29388 
1 1 1 2   9  7  o 701.222 16.065 1320.68   60.397  1313.36   85.368  1328.03   85.460  698.585 22.793 702.487 22.691 -3.902466      32.16231 
1 1 1 2   9  9  f 541.973 14.732 788.683   42.805  825.715   60.606  751.821   60.466  554.137 20.400 528.684 21.333 25.45313       29.51674 
1 1 1 2   9  11 o 368.478 13.655 364.504   26.975  359.912   38.141  369.099   38.156  365.350 19.543 370.022 19.301 -4.671509      27.46721 
1 1 1 2   9  13 o 282.827 13.154 214.768   19.946  235.409   28.373  194.601   28.045  295.358 18.004 268.250 19.637 27.10846       26.64118 
1 1 1 2   9  15 o 551.583 15.128 817.607   44.737  808.564   51.531  845.281   90.147  548.290 17.530 557.968 30.248 -9.677917      34.96048 
1 1 1 2   9  17 o 309.773 13.615 257.852   22.612  255.429   26.062  265.229   45.475  307.779 15.848 311.855 27.479 -4.075592      31.72198 
1 1 1 2   9  19 f 677.473 18.642 1236.95   67.710  1236.95   67.710  0.0000    0.0000  677.473 18.642 ?       ?      0.000000       18.64195 
1 1 1 2   9  21 o 317.883 16.150 273.007   27.433  263.126   33.612  292.719   47.478  311.363 20.245 326.882 27.342 -15.51868      34.02177 
1 1 1 2   9  23 o 325.449 14.039 285.644   24.496  299.240   35.032  272.634   34.267  331.552 19.798 316.287 20.315 15.26453       28.36686 
1 1 1 2   9  25 f 145.074 35.292 61.942    27.187  0.0000    0.0000  61.942    27.187  ?       ?      145.074 35.292 0.000000       35.29210 
1 1 1 2   9  27 o 371.897 16.612 377.579   33.122  483.931   61.300  333.724   39.363  413.560 27.809 347.051 21.258 66.50919       35.00333 
1 1 1 2   9  29 o 248.432 22.340 174.033   29.436  196.811   42.738  153.476   40.602  258.312 31.514 225.658 34.670 32.65410       46.85187 
1 1 1 2   9  31 o 125.672 23.526 46.286    15.268  60.123    25.722  38.758    18.972  137.749 34.813 112.180 30.667 25.56950       46.39423 
1 1 1 2   9  33 o 169.699 27.696 88.365    24.329  99.584    31.129  70.758    38.998  174.593 34.479 136.724 45.484 37.86909       57.07585 
1 1 1 2   9  35 o 113.896 31.681 44.221    20.050  38.871    42.088  45.791    22.804  104.042 43.941 113.781 34.435 -9.738800      55.82643 
1 1 1 2   9  37 f 155.593 26.888 78.354    21.618  49.508    36.496  93.947    26.832  107.738 42.623 165.748 31.344 -58.01048      52.90667 
1 1 1 2   9  39 o 133.223 41.847 81.663    33.299  53.941    58.746  94.786    40.420  98.739  45.911 134.294 46.292 -35.55476      65.19741 
1 1 1 2   9  41 o 101.640 37.133 51.882    26.352  105.408   64.033  40.968    28.914  99.557  46.820 89.334  36.977 10.22346       59.66121 
1 1 1 2   10 0  o 515.847 16.867 714.701   46.649  721.787   57.194  700.620   80.626  518.152 20.588 508.856 29.682 9.295685       36.12363 
1 1 1 2   10 2  o 400.306 15.060 430.226   32.321  512.909   56.451  389.902   39.423  435.880 24.252 380.400 19.395 55.47974       31.05363 
1 1 1 2   10 4  o 983.963 22.614 2604.46   119.295 2734.35   206.839 2539.71   146.031 1004.90 38.392 970.742 28.059 34.16260       47.55232 
1 1 1 2   10 6  o 922.986 18.690 2289.26   92.486  2387.81   130.834 2190.83   130.754 941.582 25.917 901.720 27.047 39.86133       37.45978 
1 1 1 2   10 8  o 569.735 17.438 872.112   53.263  851.148   91.901  882.716   65.360  560.693 30.688 572.870 21.281 -12.17719      37.34500 
1 1 1 2   10 10 o 169.675 15.845 78.010    14.247  70.714    23.948  82.006    17.725  159.409 29.094 173.561 19.379 -14.15172      34.95695 
1 1 1 2   10 12 o 377.177 13.836 382.066   27.979  372.415   39.500  391.784   39.637  371.489 19.905 381.106 19.464 -9.617432      27.83992 
1 1 1 2   10 14 o 195.591 14.457 103.351   15.053  102.220   17.319  106.844   30.441  194.248 16.795 196.505 29.832 -2.256180      34.23484 
1 1 1 2   10 16 f 614.254 18.079 1015.73   59.539  1015.73   59.539  0.0000    0.0000  614.254 18.079 ?       ?      0.000000       18.07933 
1 1 1 2   10 18 o 599.282 17.428 967.347   55.995  922.336   68.309  1059.54   97.763  584.385 21.803 624.501 29.199 -40.11517      36.44110 
1 1 1 2   10 20 o 320.458 20.463 278.845   34.974  278.845   34.974  0.0000    0.0000  320.458 20.463 ?       ?      0.000000       20.46348 
1 1 1 2   10 22 o 128.941 19.266 46.058    12.910  51.444    15.677  34.709    22.756  135.748 22.316 111.525 34.522 24.22239       41.10701 
1 1 1 2   10 24 o 306.989 16.129 256.428   26.453  243.710   32.170  282.988   46.488  297.982 20.257 318.179 27.523 -20.19638      34.17389 
1 1 1 2   10 26 o 122.138 23.189 42.619    14.629  40.318    18.604  46.347    23.681  117.152 29.607 124.698 34.333 -7.545959      45.33582 
1 1 1 2   10 28 o 87.239  28.315 21.499    15.148  23.294    20.948  19.531    21.930  93.232  33.232 89.637  33.666 3.595047       47.30542 
1 1 1 2   10 30 o 136.394 31.287 57.092    22.392  0.0000    0.0000  57.092    22.392  ?       ?      136.394 31.287 0.000000       31.28677 
1 1 1 2   10 32 o 106.477 36.718 36.801    25.431  32.565    38.839  39.981    33.648  106.084 43.266 110.511 41.663 -4.427368      60.06425 
1 1 1 2   10 34 o 166.535 23.446 83.848    20.354  68.006    33.226  93.365    25.752  132.834 41.813 170.906 29.150 -38.07208      50.97104 
1 1 1 2   10 36 o 66.764  28.621 6.2892    18.324  9.0529    35.084  5.2525    21.487  82.823  37.347 69.383  30.359 13.43954       48.12988 
1 1 1 2   10 38 o 90.016  37.556 29.768    30.167  71.032    55.113  12.115    36.047  110.052 48.375 81.162  37.091 28.88985       60.95821 
1 1 1 2   10 40 o 68.269  30.170 10.962    21.712  5.2862    41.142  13.153    25.560  74.456  35.720 71.740  32.153 2.716202       48.05938 
1 1 1 2   11 1  o 789.505 17.427 1674.44   73.766  1700.09   104.341 1648.80   104.302 794.715 24.489 782.583 24.860 12.13165       34.89568 
1 1 1 2   11 3  o 916.161 18.772 2255.74   92.207  2332.64   130.434 2178.92   130.367 930.535 26.145 899.198 27.042 31.33661       37.61427 
1 1 1 2   11 5  o 535.413 17.189 770.200   49.340  774.375   85.261  768.097   60.500  534.826 29.854 534.374 21.117 0.4523315      36.56779 
1 1 1 2   11 7  o 472.947 16.802 601.016   42.604  593.828   73.862  604.600   52.154  468.044 29.587 474.081 20.520 -6.037628      36.00629 
1 1 1 2   11 9  o 550.073 17.384 813.378   51.266  816.477   89.169  811.848   62.657  548.725 30.429 549.175 21.281 -0.4499512     37.13249 
1 1 1 2   11 11 o 565.883 17.692 861.180   53.676  841.519   93.379  870.882   65.595  556.601 31.420 568.623 21.517 -12.02246      38.08170 
1 1 1 2   11 13 o 477.157 20.416 613.277   52.227  641.008   74.531  586.524   73.207  485.855 28.741 464.502 29.550 21.35248       41.22163 
1 1 1 2   11 15 o 129.908 20.607 46.601    13.873  60.501    16.971  18.605    24.086  148.163 22.036 94.611  35.332 53.55146       41.64028 
1 1 1 2   11 17 o 331.015 16.016 295.004   28.422  274.943   34.439  337.851   50.331  318.515 20.273 351.864 26.884 -33.34921      33.67081 
1 1 1 2   11 19 o 191.545 16.520 99.713    16.799  90.084    19.939  123.267   31.186  181.209 20.907 210.651 28.332 -29.44168      35.21122 
1 1 1 2   11 21 o 107.208 23.349 32.567    13.040  21.935    15.990  53.681    22.534  90.152  29.075 136.601 31.423 -46.44961      42.81074 
1 1 1 2   11 23 o 329.037 13.944 292.956   24.598  294.594   28.631  288.339   48.064  329.416 16.211 320.735 28.239 8.680573       32.56188 
1 1 1 2   11 25 o 149.817 27.029 64.635    20.911  64.635    20.911  0.0000    0.0000  149.817 27.029 ?       ?      0.000000       27.02878 
1 1 1 2   11 27 f 201.051 15.460 111.094   16.536  119.836   19.463  88.403    31.356  208.111 17.609 170.520 35.454 37.59160       39.58662 
1 1 1 2   11 29 o 252.299 25.374 183.816   33.857  183.816   33.857  0.0000    0.0000  252.299 25.374 ?       ?      0.000000       25.37395 
1 1 1 2   11 31 o 83.241  30.128 19.392    17.289  4.3361    33.534  24.843    20.178  84.809  37.487 91.644  32.621 -6.835228      49.69301 
1 1 1 2   11 33 o 293.354 20.865 250.968   32.601  270.500   40.719  216.093   54.412  298.537 25.691 242.816 43.389 55.72023       50.42471 
1 1 1 2   11 35 o 123.461 34.784 53.978    24.008  52.171    36.661  55.335    31.768  114.070 43.372 119.030 41.039 -4.959587      59.71029 
1 1 1 2   11 37 o 100.912 33.303 37.414    20.922  76.272    40.190  22.968    24.505  125.611 45.863 84.714  34.438 40.89690       57.35271 
1 1 1 2   11 39 o 153.820 33.392 91.177    26.747  55.363    67.086  97.946    29.166  93.695  45.119 156.038 35.645 -62.34314      57.50021 
1 1 1 2   12 0  o 666.311 22.878 1195.25   81.729  1198.52   115.386 1191.95   115.779 665.805 32.325 663.942 32.526 1.862488       45.85654 
1 1 1 2   12 2  o 449.158 19.658 542.555   47.338  450.224   66.471  637.569   67.430  407.089 30.682 485.633 25.993 -78.54352      40.21183 
1 1 1 2   12 4  o 844.116 18.053 1915.48   81.700  1874.94   115.536 1956.03   115.546 833.896 25.843 851.841 25.300 -17.94482      36.16554 
1 1 1 2   12 6  o 264.897 13.624 188.923   19.283  182.087   27.192  195.838   27.350  259.422 19.698 269.167 19.076 -9.745544      27.42110 
1 1 1 2   12 8  o 810.888 17.774 1768.18   77.272  1737.60   109.266 1798.77   109.294 802.538 25.395 816.631 24.963 -14.09216      35.60975 
1 1 1 2   12 10 o 996.936 22.873 2679.41   122.251 2765.08   149.891 2509.18   211.283 1011.43 27.642 958.723 41.106 52.71069       49.53524 
1 1 1 2   12 12 o 671.086 15.910 1211.03   57.242  1231.25   80.960  1190.82   80.945  675.641 22.350 664.386 22.725 11.25500       31.87403 
1 1 1 2   12 14 o 371.903 13.860 371.834   27.635  384.375   39.088  359.301   39.076  377.114 19.399 364.465 20.075 12.64893       27.91630 
1 1 1 2   12 16 o 476.125 14.971 610.367   38.216  620.961   44.082  578.313   76.675  479.914 17.133 459.060 31.341 20.85422       35.71851 
1 1 1 2   12 18 o 536.230 17.238 777.108   49.559  738.224   60.288  858.137   87.029  521.448 21.565 558.582 29.162 -37.13452      36.26938 
1 1 1 2   12 20 o 418.300 21.070 478.067   47.101  510.953   68.186  448.054   65.140  428.477 29.869 400.777 30.546 27.70078       42.72287 
1 1 1 2   12 22 o 538.348 14.599 785.133   42.136  796.173   48.700  752.256   84.038  541.208 16.784 517.187 30.442 24.02069       34.76256 
1 1 1 2   12 24 o 96.411  28.577 26.719    15.826  26.719    15.826  0.0000    0.0000  96.411  28.577 ?       ?      0.000000       28.57667 
1 1 1 2   12 26 o 253.438 14.370 175.559   19.444  163.672   21.718  223.583   43.654  243.850 16.713 277.868 29.767 -34.01753      34.13747 
1 1 1 2   12 28 o 201.941 19.480 114.574   20.829  103.504   24.316  145.082   40.368  189.353 24.529 216.610 36.026 -27.25667      43.58345 
1 1 1 2   12 30 o 91.865  31.485 25.260    18.685  25.260    18.685  0.0000    0.0000  91.865  31.485 ?       ?      0.000000       31.48454 
1 1 1 2   12 32 o 124.765 34.918 52.707    24.278  89.580    31.394  -2.1622   38.296  161.960 36.969 83.619  38.220 78.34158       53.17411 
1 1 1 2   12 34 o 197.873 28.648 123.945   29.507  123.945   29.507  0.0000    0.0000  197.873 28.648 ?       ?      0.000000       28.64818 
1 1 1 2   12 36 f 147.234 32.798 75.900    25.227  51.782    40.556  91.120    32.218  108.868 44.285 153.800 39.013 -44.93177      59.01824 
1 1 1 2   12 38 o 70.594  32.800 1.9112    29.895  0.0000    0.0000  1.9112    29.895  ?       ?      70.594  32.800 0.000000       32.79979 
1 1 1 2   13 1  o 339.320 15.519 309.342   28.232  337.882   34.348  249.902   49.569  354.020 18.158 302.425 31.011 51.59442       35.93561 
1 1 1 2   13 3  o 617.687 17.958 1025.94   59.469  984.240   102.770 1046.94   72.917  602.167 31.947 623.516 21.813 -21.34857      38.68372 
1 1 1 2   13 5  o 369.576 16.057 367.096   31.816  348.519   38.860  404.870   55.412  359.263 20.258 386.300 26.923 -27.03687      33.69348 
1 1 1 2   13 7  o 1009.92 28.717 2758.74   155.488 2758.74   155.488 0.0000    0.0000  1009.92 28.717 ?       ?      0.000000       28.71679 
1 1 1 2   13 9  o 530.802 14.711 757.273   41.866  811.394   59.289  703.453   59.125  548.808 20.150 510.815 21.589 37.99313       29.53185 
1 1 1 2   13 11 o 339.035 14.014 309.001   25.473  306.607   36.012  311.399   36.037  336.635 20.044 339.287 19.898 -2.652527      28.24365 
1 1 1 2   13 13 o 292.713 14.020 230.507   22.002  229.749   30.965  231.279   31.269  291.027 19.966 291.976 20.098 -0.9493103     28.32994 
1 1 1 2   13 15 o 519.445 17.351 728.569   48.322  729.290   83.212  728.202   59.356  515.085 30.266 518.350 21.358 -3.265076      37.04296 
1 1 1 2   13 17 o 251.055 14.379 170.616   19.273  163.582   22.216  192.007   38.744  245.332 16.995 263.028 27.901 -17.69641      32.66964 
1 1 1 2   13 19 o 154.768 20.191 66.320    16.355  69.375    20.242  60.577    27.753  157.130 24.856 143.840 36.058 13.28897       43.79456 
1 1 1 2   13 21 o 117.010 27.855 39.608    17.223  39.608    17.223  0.0000    0.0000  117.010 27.855 ?       ?      0.000000       27.85531 
1 1 1 2   13 23 o 205.754 15.091 115.722   16.531  119.692   19.341  104.958   31.847  208.602 17.454 189.426 32.531 19.17505       36.91752 
1 1 1 2   13 25 o 64.393  23.392 9.8392    10.436  8.3691    11.123  20.648    30.160  63.051  23.910 98.181  38.777 -35.13032      45.55588 
1 1 1 2   13 27 o 75.094  27.212 14.312    14.110  14.861    15.740  12.067    31.834  77.478  28.635 91.127  38.336 -13.64910      47.85035 
1 1 1 2   13 29 o 360.568 14.641 358.910   28.302  351.622   32.587  381.286   57.099  355.003 17.121 354.290 30.354 0.7125854      34.84929 
1 1 1 2   13 31 o 63.038  30.955 -54.3256  36.078  -54.3256  36.078  0.0000    0.0000  63.038  30.955 ?       ?      0.000000       30.95506 
1 1 1 2   13 33 o 81.809  29.405 19.818    16.434  9.6034    18.279  62.868    37.527  71.357  29.458 126.711 44.552 -55.35374      53.40981 
1 1 1 2   13 35 f 174.883 25.618 96.108    23.307  85.288    26.865  129.033   46.864  157.315 32.910 169.849 48.849 -12.53331      58.90108 
1 1 1 2   13 37 o 103.236 43.303 53.385    40.425  0.0000    0.0000  53.385    40.425  ?       ?      103.236 43.303 0.000000       43.30342 
1 1 1 2   14 0  o 458.669 16.849 565.760   41.433  543.075   71.545  577.208   50.822  446.846 30.039 462.932 20.477 -16.08643      36.35415 
1 1 1 2   14 2  o 331.252 15.776 294.994   28.018  311.721   34.346  261.724   48.440  339.777 18.929 309.531 29.548 30.24585       35.09163 
1 1 1 2   14 4  o 110.198 19.069 33.627    10.858  41.733    15.357  25.524    15.355  122.216 24.293 96.208  28.046 26.00724       37.10464 
1 1 1 2   14 6  o 539.994 17.382 784.874   50.321  763.831   86.720  795.557   61.787  529.568 30.675 543.112 21.220 -13.54431      37.29951 
1 1 1 2   14 8  o 206.473 14.859 115.265   16.339  101.961   22.714  129.527   23.519  193.008 22.366 218.178 20.341 -25.17036      30.23204 
1 1 1 2   14 10 o 446.111 16.423 536.228   39.280  502.349   67.466  553.601   48.313  428.383 29.556 452.739 19.904 -24.35654      35.63325 
1 1 1 2   14 12 o 378.034 16.095 385.414   32.620  337.355   55.832  410.322   40.194  349.866 30.057 389.555 19.245 -39.68906      35.69046 
1 1 1 2   14 14 o 244.023 14.273 161.113   18.591  142.084   26.344  179.993   26.240  227.642 21.854 257.056 19.178 -29.41475      29.07550 
1 1 1 2   14 16 o 329.900 16.234 294.503   28.714  326.634   51.939  280.361   34.458  343.032 28.500 320.467 20.159 22.56497       34.90855 
1 1 1 2   14 18 o 229.229 17.278 143.471   21.079  143.471   21.079  0.0000    0.0000  229.229 17.278 ?       ?      0.000000       17.27843 
1 1 1 2   14 20 o 444.195 14.240 534.618   33.912  553.699   39.198  477.827   67.623  451.346 16.199 410.899 30.923 40.44705       34.90913 
1 1 1 2   14 22 o 676.131 18.673 1252.95   67.688  1229.26   82.751  1300.84   117.664 665.768 23.184 674.017 32.561 -8.248840      39.97152 
1 1 1 2   14 24 o 212.549 19.807 125.919   22.311  142.416   26.361  84.249    41.895  225.120 22.127 160.950 46.157 64.16945       51.18650 
1 1 1 2   14 26 o 154.105 19.024 66.996    15.384  61.960    17.459  84.485    32.535  146.480 22.988 162.781 37.975 -16.30058      44.39105 
1 1 1 2   14 28 o 60.053  24.392 5.5572    12.281  4.5889    13.289  11.219    32.134  60.577  25.071 88.906  38.002 -28.32907      45.52698 
1 1 1 2   14 30 o 184.659 52.030 134.638   53.715  134.638   53.715  0.0000    0.0000  184.659 52.030 ?       ?      0.000000       52.02966 
1 1 1 2   14 32 o 196.108 23.533 114.511   24.248  114.511   24.248  0.0000    0.0000  196.108 23.533 ?       ?      0.000000       23.53292 
1 1 1 2   14 34 o 95.630  33.479 31.259    21.180  31.259    21.180  0.0000    0.0000  95.630  33.479 ?       ?      0.000000       33.47877 
1 1 1 2   14 36 o 57.236  26.323 -4.4309   18.551  -23.5417  20.747  71.792    41.434  50.435  24.480 117.492 45.732 -67.05728      51.87228 
1 1 1 2   15 1  o 438.238 14.295 516.597   33.585  490.428   47.400  542.980   47.594  426.188 20.745 448.586 19.790 -22.39828      28.67008 
1 1 1 2   15 3  o 419.307 16.289 473.538   36.618  524.250   63.951  448.802   44.664  438.503 27.339 407.141 20.528 31.36215       34.18752 
1 1 1 2   15 5  o 453.031 16.688 553.122   40.533  541.204   70.541  558.996   49.525  444.599 29.766 454.847 20.309 -10.24731      36.03419 
1 1 1 2   15 7  o 270.824 16.351 198.464   23.629  195.898   39.920  199.848   29.317  266.587 28.366 271.089 20.319 -4.501160      34.89272 
1 1 1 2   15 9  o 355.271 13.928 339.980   26.528  347.706   37.688  332.394   37.347  357.895 19.718 349.840 19.995 8.054382       28.08170 
1 1 1 2   15 11 o 247.781 14.527 166.141   19.213  162.079   28.054  169.730   26.368  243.308 21.735 249.442 19.882 -6.134872      29.45698 
1 1 1 2   15 13 o 153.323 15.962 64.225    12.929  76.110    19.155  54.278    17.522  165.758 22.105 138.989 24.405 26.76831       32.92787 
1 1 1 2   15 15 o 136.079 19.888 51.421    14.081  61.420    17.996  35.635    22.611  148.075 23.450 112.230 34.358 35.84431       41.59814 
1 1 1 2   15 17 o 128.943 22.327 46.814    14.876  64.027    17.941  8.9546    26.609  151.155 22.852 86.630  35.626 64.52538       42.32557 
1 1 1 2   15 19 o 122.428 21.028 42.225    13.305  37.096    14.902  62.389    29.545  113.601 25.133 144.384 37.744 -30.78255      45.34621 
1 1 1 2   15 21 o 213.181 17.736 125.180   20.087  116.345   22.982  153.770   41.344  204.259 21.300 228.461 34.858 -24.20155      40.85074 
1 1 1 2   15 23 o 234.398 17.184 151.729   21.444  153.755   25.098  146.250   41.273  234.698 20.141 219.595 36.327 15.10381       41.53701 
1 1 1 2   15 25 o 176.009 21.057 88.042    19.476  87.276    22.417  90.402    39.334  173.385 24.824 164.295 43.841 9.089722       50.38121 
1 1 1 2   15 27 o 240.855 28.202 172.545   35.728  172.545   35.728  0.0000    0.0000  240.855 28.202 ?       ?      0.000000       28.20248 
1 1 1 2   15 29 o 174.779 19.586 87.224    18.037  80.720    20.556  108.997   37.608  165.709 23.822 179.970 40.013 -14.26093      46.56733 
1 1 1 2   15 31 o 240.987 17.834 164.977   22.878  171.083   25.961  143.750   48.404  243.644 20.053 194.917 46.890 48.72722       50.99818 
1 1 1 2   15 33 o 77.750  29.983 16.858    17.682  20.961    19.578  -1.3034   41.189  83.549  31.712 83.323  38.640 0.2264862      49.98702 
1 1 1 2   16 0  o 347.637 16.321 326.021   30.420  340.537   52.887  318.844   37.187  352.013 28.262 342.608 20.336 9.404572       34.81776 
1 1 1 2   16 2  o 233.657 15.840 147.913   19.725  120.837   33.189  162.701   24.527  207.857 30.707 244.595 18.849 -36.73853      36.03051 
1 1 1 2   16 4  o 390.057 16.177 410.585   33.830  393.296   57.946  419.526   41.669  378.003 28.810 393.137 19.833 -15.13388      34.97665 
1 1 1 2   16 6  o 313.640 16.362 266.341   27.418  279.413   33.467  239.656   47.815  320.593 19.565 293.714 30.825 26.87936       36.50934 
1 1 1 2   16 8  o 237.522 16.494 153.183   20.874  117.433   35.444  172.166   25.828  203.448 33.673 251.307 19.317 -47.85941      38.82096 
1 1 1 2   16 10 o 464.847 30.302 599.283   75.107  0.0000    0.0000  599.283   75.107  ?       ?      464.847 30.302 0.000000       30.30249 
1 1 1 2   16 12 o 423.062 20.196 487.146   45.808  542.947   66.940  438.000   62.821  442.578 28.361 396.664 29.757 45.91360       41.10721 
1 1 1 2   16 14 o 285.217 16.689 221.384   25.409  262.859   46.491  203.717   30.342  306.647 28.609 272.380 20.938 34.26639       35.45235 
1 1 1 2   16 16 o 233.320 17.608 148.943   21.863  117.660   39.552  162.708   26.236  199.694 38.337 243.129 20.314 -43.43581      43.38595 
1 1 1 2   16 18 o 316.092 32.340 286.460   54.034  0.0000    0.0000  286.460   54.034  ?       ?      316.092 32.340 0.000000       32.34010 
1 1 1 2   16 20 o 112.895 31.417 37.744    19.712  40.785    23.916  31.299    34.813  117.027 35.230 111.437 42.290 5.590187       55.04168 
1 1 1 2   16 22 o 162.426 26.328 76.622    22.142  70.852    26.952  88.601    38.837  152.494 33.849 165.429 43.288 -12.93498      54.95106 
1 1 1 2   16 24 o 167.662 35.437 87.496    30.857  87.496    30.857  0.0000    0.0000  167.662 35.437 ?       ?      0.000000       35.43675 
1 1 1 2   16 26 o 202.932 20.247 116.610   21.734  129.559   25.821  85.139    40.254  212.379 23.047 157.153 45.295 55.22565       50.82157 
1 1 1 2   16 28 o 389.736 16.323 421.885   34.107  419.318   39.336  429.662   68.460  386.167 18.999 370.073 34.917 16.09369       39.75172 
1 1 1 2   16 30 f 87.269  31.586 22.400    19.003  29.709    21.743  -1.2409   39.103  97.098  33.924 85.452  38.888 11.64620       51.60564 
1 1 1 2   16 32 o 89.073  32.346 25.312    19.953  25.312    19.953  0.0000    0.0000  89.073  32.346 ?       ?      0.000000       32.34624 
1 1 1 2   17 1  o 292.102 13.802 230.033   21.614  241.596   30.558  218.455   30.576  297.959 19.232 283.026 20.285 14.93280       27.95244 
1 1 1 2   17 3  o 191.036 17.377 99.533    17.603  84.810    21.675  128.053   30.168  174.843 23.737 214.644 26.799 -39.80093      35.79964 
1 1 1 2   17 5  o 316.378 14.025 270.029   23.789  284.149   33.932  256.382   33.360  322.977 19.690 306.545 20.415 16.43127       28.36338 
1 1 1 2   17 7  o 293.027 16.837 233.169   26.340  244.207   32.785  213.072   44.238  298.973 20.579 276.061 30.393 22.91150       36.70465 
1 1 1 2   17 9  o 161.477 18.875 71.747    16.033  79.984    21.039  60.339    24.760  169.404 23.823 144.490 32.722 24.91484       40.47593 
1 1 1 2   17 11 o 170.665 17.833 79.917    16.076  112.512   27.566  63.118    19.790  200.498 26.277 149.515 25.609 50.98244       36.69211 
1 1 1 2   17 13 o 224.164 17.812 137.494   21.230  138.559   25.356  134.996   38.828  224.049 21.368 216.240 34.663 7.809570       40.71951 
1 1 1 2   17 15 o 165.620 18.750 75.811    16.355  92.502    27.266  66.430    20.441  179.670 29.317 152.819 25.873 26.85158       39.10073 
1 1 1 2   17 17 o 121.152 20.116 41.358    12.608  17.176    17.964  64.828    17.699  84.091  30.669 151.593 22.456 -67.50146      38.01094 
1 1 1 2   17 19 o 293.199 19.240 237.952   30.076  228.876   36.554  256.970   52.917  284.969 24.153 295.258 34.053 -10.28885      41.74942 
1 1 1 2   17 21 o 267.965 19.428 199.847   27.722  199.847   27.722  0.0000    0.0000  267.965 19.428 ?       ?      0.000000       19.42842 
1 1 1 2   17 23 o 101.865 31.479 30.929    18.930  27.973    21.846  39.840    37.928  98.820  34.034 117.565 44.251 -18.74562      55.82542 
1 1 1 2   17 25 o 143.602 26.846 61.171    19.908  54.704    22.785  82.036    40.929  133.031 32.276 154.568 45.988 -21.53716      56.18435 
1 1 1 2   17 27 o 170.041 26.923 86.382    23.727  111.330   28.017  23.116    44.615  192.702 27.933 105.204 44.868 87.49822       52.85285 
1 1 1 2   17 29 o 94.757  33.385 27.798    21.082  28.060    24.641  27.083    40.721  96.123  35.768 102.279 43.211 -6.156487      56.09396 
1 1 1 2   18 0  f 431.886 16.843 504.957   38.999  529.516   68.700  493.280   47.372  436.961 29.498 425.784 20.752 11.17703       36.06630 
1 1 1 2   18 2  o 439.956 16.617 523.953   39.195  513.857   48.120  543.855   67.563  434.550 20.654 443.205 28.586 -8.654999      35.26731 
1 1 1 2   18 4  o 112.284 21.761 35.505    12.627  37.286    15.565  32.078    21.595  114.344 25.981 107.350 33.696 6.993271       42.54899 
1 1 1 2   18 6  o 171.190 16.187 80.042    14.681  77.332    20.446  82.926    21.092  166.527 23.558 172.590 23.398 -6.062881      33.20317 
1 1 1 2   18 8  f 278.472 22.324 213.487   33.049  230.833   48.349  198.275   45.277  285.776 32.113 264.406 32.633 21.36972       45.78343 
1 1 1 2   18 10 o 152.178 27.807 66.100    21.851  66.100    21.851  0.0000    0.0000  152.178 27.807 ?       ?      0.000000       27.80747 
1 1 1 2   18 12 o 257.829 21.724 183.830   29.749  199.563   40.023  164.405   44.472  265.867 28.524 237.501 36.059 28.36613       45.97714 
1 1 1 2   18 14 o 257.454 14.673 180.573   20.170  189.042   28.848  172.473   28.211  261.389 20.756 249.392 21.304 11.99680       29.74304 
1 1 1 2   18 16 f 129.217 20.425 47.073    13.680  49.999    20.983  44.909    18.041  130.012 30.610 123.908 27.836 6.103546       41.37416 
1 1 1 2   18 18 o 102.743 26.273 30.895    14.529  31.118    20.609  30.676    20.486  103.507 32.969 102.878 32.881 0.6290207      46.56341 
1 1 1 2   18 20 o 226.895 20.091 143.626   24.188  159.626   42.127  135.758   29.542  230.625 35.185 217.834 25.797 12.79085       43.62841 
1 1 1 2   18 22 o 249.671 24.902 178.158   32.888  182.302   45.430  173.595   47.672  245.070 35.619 236.462 38.961 8.608551       52.78891 
1 1 1 2   18 24 f 135.928 29.975 56.081    21.257  76.120    25.681  12.477    37.883  158.134 31.399 96.408  41.236 61.72596       51.82970 
1 1 1 2   18 26 o 162.463 32.826 82.746    27.608  80.270    34.708  87.013    45.558  153.584 41.269 153.261 49.040 0.3225861      64.09386 
1 1 1 2   18 28 o 112.183 41.258 42.941    32.609  42.941    32.609  0.0000    0.0000  112.183 41.258 ?       ?      0.000000       41.25773 
1 1 1 2   19 1  o 88.831  24.495 22.373    12.043  36.085    22.360  16.770    14.294  112.535 34.107 80.671  27.538 31.86311       43.83606 
1 1 1 2   19 3  o 304.103 16.656 251.673   27.053  240.732   46.285  257.351   33.341  292.579 29.928 306.384 20.414 -13.80435      36.22766 
1 1 1 2   19 5  o 143.666 17.603 56.929    13.275  58.134    17.808  55.421    19.916  143.566 23.982 139.071 27.685 4.495071       36.62741 
1 1 1 2   19 7  o 149.517 20.805 62.316    16.226  57.129    25.692  65.756    20.927  139.251 34.573 151.934 26.664 -12.68315      43.66072 
1 1 1 2   19 9  o 192.964 23.489 104.165   23.799  105.938   31.857  101.926   35.799  191.295 32.207 185.363 37.314 5.931580       49.29118 
1 1 1 2   19 11 o 298.451 14.834 241.873   23.736  252.107   34.495  232.671   32.711  301.901 21.451 290.088 21.179 11.81339       30.14465 
1 1 1 2   19 13 o 263.528 14.905 189.368   20.972  194.730   29.964  184.220   29.363  264.958 21.273 257.592 21.457 7.366089       30.21453 
1 1 1 2   19 15 o 126.944 27.080 46.873    17.868  43.588    28.992  48.885    22.690  121.407 39.150 128.062 32.879 -6.655464      51.12472 
1 1 1 2   19 17 o 94.876  25.539 26.139    13.278  37.536    20.361  17.705    17.514  112.519 32.149 84.023  30.337 28.49599       44.20290 
1 1 1 2   19 19 o 107.357 25.098 33.664    14.187  35.453    22.896  32.549    18.075  109.495 34.737 104.915 30.385 4.579552       46.15096 
1 1 1 2   19 21 o 169.823 22.762 82.243    20.203  119.731   30.536  53.058    26.943  201.995 29.031 130.413 36.885 71.58260       46.93979 
1 1 1 2   19 23 o 100.911 34.571 30.089    22.528  40.887    26.424  1.3487    43.107  114.479 37.409 94.444  42.082 20.03420       56.30611 
1 1 1 2   19 25 o 60.765  28.557 -18.6425  23.752  -18.6425  23.752  0.0000    0.0000  60.765  28.557 ?       ?      0.000000       28.55729 
1 1 1 2   20 0  o 227.209 15.323 140.639   18.556  160.227   26.682  122.294   25.823  241.006 20.856 209.525 23.387 31.48083       31.33542 
1 1 1 2   20 2  o 177.275 16.458 86.109    15.464  91.192    21.268  80.408    22.524  180.865 22.413 168.638 25.728 12.22707       34.12137 
1 1 1 2   20 4  o 160.639 24.552 72.813    20.474  0.0000    0.0000  72.813    20.474  ?       ?      160.639 24.552 0.000000       24.55209 
1 1 1 2   20 6  o 279.954 17.606 214.391   26.290  221.486   44.867  210.681   32.444  279.160 30.473 275.925 22.117 3.235443       37.65367 
1 1 1 2   20 8  o 323.225 21.193 288.169   36.522  0.0000    0.0000  288.169   36.522  ?       ?      323.225 21.193 0.000000       21.19296 
1 1 1 2   20 10 o 61.259  23.686 6.9978    11.057  -16.9865  17.372  23.332    14.336  52.107  24.467 90.728  27.268 -38.62029      36.63594 
1 1 1 2   20 12 o 173.701 20.664 84.049    18.866  76.115    25.256  94.064    28.378  161.832 30.221 180.233 30.453 -18.40099      42.90321 
1 1 1 2   20 14 o 288.436 17.439 228.246   26.841  245.176   34.337  201.648   43.039  297.147 21.704 264.643 30.916 32.50381       37.77422 
1 1 1 2   20 16 o 120.199 24.000 41.625    14.925  46.487    22.379  37.729    20.030  124.589 32.984 112.803 31.768 11.78531       45.79471 
1 1 1 2   20 18 o 89.862  33.602 19.717    21.799  38.987    28.149  -9.1534   34.454  114.807 38.647 82.219  37.049 32.58787       53.53745 
1 1 1 2   20 20 f 237.690 19.453 157.899   24.573  168.199   41.556  152.361   30.471  236.241 33.771 230.411 25.071 5.829865       42.05988 
1 1 1 2   20 22 o 156.684 40.126 80.648    33.855  80.648    33.855  0.0000    0.0000  156.684 40.126 ?       ?      0.000000       40.12646 
1 1 1 2   21 1  o 78.088  29.769 12.549    17.300  10.133    22.250  16.243    27.509  81.925  32.987 93.775  37.035 -11.84985      49.59567 
1 1 1 2   21 3  o 154.226 22.018 66.548    17.689  56.495    20.786  92.947    33.683  139.943 28.669 177.440 36.621 -37.49657      46.50818 
1 1 1 2   21 5  o 274.090 22.242 207.863   32.403  192.016   44.174  226.320   47.674  258.845 32.552 281.485 32.168 -22.64069      45.76466 
1 1 1 2   21 7  o 210.883 18.346 122.270   20.535  122.275   24.912  122.260   36.275  209.581 22.524 204.850 34.237 4.730881       40.98211 
1 1 1 2   21 9  o 79.267  26.183 16.888    12.931  10.408    16.941  25.934    20.017  74.807  29.208 97.332  32.591 -22.52518      43.76364 
1 1 1 2   21 11 o 117.857 23.308 39.724    14.206  33.556    21.844  44.243    18.700  107.898 33.894 123.016 28.852 -15.11790      44.51097 
1 1 1 2   21 13 o 94.779  27.490 25.940    14.786  22.190    21.974  29.043    19.987  93.540  33.949 100.935 32.502 -7.394333      46.99859 
1 1 1 2   21 15 o 79.701  30.252 14.128    17.817  0.0000    0.0000  14.128    17.817  ?       ?      79.701  30.252 0.000000       30.25221 
1 1 1 2   21 17 o 69.303  28.471 6.2262    16.971  0.0000    0.0000  6.2262    16.971  ?       ?      69.303  28.471 0.000000       28.47069 
1 1 1 2   22 0  o 61.808  24.667 5.7372    12.323  0.8212    16.001  12.903    19.319  63.064  26.882 80.901  31.300 -17.83760      41.25966 
1 1 1 2   22 2  o 205.637 23.986 118.352   25.947  118.352   25.947  0.0000    0.0000  205.637 23.986 ?       ?      0.000000       23.98597 
1 1 1 2   22 4  o 81.182  26.889 17.705    13.634  33.390    16.677  -13.9084  23.675  107.257 28.511 65.504  29.982 41.75302       41.37420 
1 1 1 2   22 6  o 108.190 24.500 33.699    13.881  43.559    18.608  21.331    20.842  122.195 28.864 92.066  33.113 30.12873       43.92722 
1 1 1 2   22 8  f 131.979 25.874 50.151    17.653  59.602    20.697  24.921    33.818  143.476 27.911 106.140 41.315 37.33574       49.85973 
1 1 1 2   22 10 o 89.903  26.189 23.193    13.393  38.954    20.125  10.663    17.944  114.788 31.670 76.126  29.959 38.66159       43.59525 
1 1 1 2   22 12 o 120.478 28.423 42.762    18.062  61.094    30.641  33.000    22.360  140.653 39.179 106.600 34.382 34.05345       52.12644 
1 1 1 2   23 1  o 119.885 27.848 41.900    17.557  24.677    28.623  52.287    22.230  101.786 38.414 133.054 31.627 -31.26775      49.75835 
1 1 1 2   23 3  o 74.662  26.065 14.202    12.835  23.967    16.611  -0.2645   20.218  92.445  29.615 69.085  29.844 23.36037       42.04435 
1 1 1 3   0  1  o 207.221 26.673 120.970   28.284  120.970   28.284  120.970   28.284  207.221 26.673 207.221 26.673 0.000000       0.000000 
1 1 1 3   0  3  o 60.073  21.965 12.912    6.5241  12.912    6.5241  12.912    6.5241  60.073  21.965 60.073  21.965 0.000000       0.000000 
1 1 1 3   0  5  o 411.686 19.442 458.118   42.695  458.118   42.695  458.118   42.695  411.686 19.442 411.686 19.442 0.000000       0.000000 
1 1 1 3   0  7  f 1058.42 41.799 3047.64   236.347 3047.64   236.347 3047.64   236.347 1058.42 41.799 1058.42 41.799 0.000000       0.000000 
1 1 1 3   0  9  o 178.614 18.207 88.379    17.020  88.379    17.020  88.379    17.020  178.614 18.207 178.614 18.207 0.000000       0.000000 
1 1 1 3   0  11 o 273.002 26.673 206.875   38.184  206.875   38.184  206.875   38.184  273.002 26.673 273.002 26.673 0.000000       0.000000 
1 1 1 3   0  13 o 115.020 20.620 38.833    11.499  38.833    11.499  38.833    11.499  115.020 20.620 115.020 20.620 0.000000       0.000000 
1 1 1 3   0  15 o 759.728 24.203 1558.73   98.354  1558.73   98.354  1558.73   98.354  759.728 24.203 759.728 24.203 0.000000       0.000000 
1 1 1 3   0  17 o 252.169 18.622 173.511   24.860  173.511   24.860  173.511   24.860  252.169 18.622 252.169 18.622 0.000000       0.000000 
1 1 1 3   0  19 o 321.879 27.335 284.529   46.390  284.529   46.390  284.529   46.390  321.879 27.335 321.879 27.335 0.000000       0.000000 
1 1 1 3   0  21 o 611.519 22.119 1008.68   72.302  1008.68   72.302  1008.68   72.302  611.519 22.119 611.519 22.119 0.000000       0.000000 
1 1 1 3   0  23 o 378.067 19.855 387.188   39.991  387.188   39.991  387.188   39.991  378.067 19.855 378.067 19.855 0.000000       0.000000 
1 1 1 3   0  25 o 100.628 47.876 40.373    29.478  40.373    29.478  40.373    29.478  100.628 47.876 100.628 47.876 0.000000       0.000000 
1 1 1 3   0  27 o 259.449 21.963 185.069   30.046  185.069   30.046  185.069   30.046  259.449 21.963 259.449 21.963 0.000000       0.000000 
1 1 1 3   0  29 o 529.980 31.101 771.172   87.674  771.172   87.674  771.172   87.674  529.980 31.101 529.980 31.101 0.000000       0.000000 
1 1 1 3   0  31 o 67.335  37.060 17.526    19.366  17.526    19.366  17.526    19.366  67.335  37.060 67.335  37.060 0.000000       0.000000 
1 1 1 3   0  33 o 167.331 30.983 83.987    24.993  83.987    24.993  83.987    24.993  167.331 30.983 167.331 30.983 0.000000       0.000000 
1 1 1 3   0  35 o 197.736 29.003 114.114   28.810  114.114   28.810  114.114   28.810  197.736 29.003 197.736 29.003 0.000000       0.000000 
1 1 1 3   0  37 o 239.984 27.449 165.496   34.122  165.496   34.122  165.496   34.122  239.984 27.449 239.984 27.449 0.000000       0.000000 
1 1 1 3   0  39 o 85.686  45.172 32.575    27.631  32.575    27.631  32.575    27.631  85.686  45.172 85.686  45.172 0.000000       0.000000 
1 1 1 3   0  41 o 163.743 46.687 94.787    35.518  94.787    35.518  94.787    35.518  163.743 46.687 163.743 46.687 0.000000       0.000000 
1 1 1 3   0  43 o 61.658  43.419 -43.1397  56.434  -43.1397  56.434  -43.1397  56.434  61.658  43.419 61.658  43.419 0.000000       0.000000 
1 1 1 3   0  45 o 68.867  43.713 14.872    35.075  14.872    35.075  14.872    35.075  68.867  43.713 68.867  43.713 0.000000       0.000000 
1 1 1 3   1  0  o 595.874 14.692 953.241   46.935  975.484   66.382  931.006   66.371  602.353 20.555 588.419 21.039 13.93359       29.41349 
1 1 1 3   1  2  o 111.777 14.344 34.093    8.3976  29.801    14.617  36.207    10.260  103.213 26.330 114.835 17.194 -11.62191      31.44641 
1 1 1 3   1  4  o 600.192 21.595 969.444   69.488  0.0000    0.0000  969.444   69.488  ?       ?      600.192 21.595 0.000000       21.59485 
1 1 1 3   1  6  o 431.405 19.228 500.917   44.472  0.0000    0.0000  500.917   44.472  ?       ?      431.405 19.228 0.000000       19.22788 
1 1 1 3   1  8  o 304.505 12.797 249.186   20.892  241.957   29.534  256.426   29.557  299.082 18.510 308.004 17.978 -8.922028      25.80334 
1 1 1 3   1  10 o 244.223 18.119 161.857   23.556  161.857   23.556  0.0000    0.0000  244.223 18.119 ?       ?      0.000000       18.11938 
1 1 1 3   1  12 o 301.130 18.470 245.999   29.674  254.353   42.003  237.676   41.928  304.484 25.979 294.019 26.896 10.46561       37.39427 
1 1 1 3   1  14 o 443.356 13.963 529.052   33.189  538.690   46.928  519.406   46.945  446.505 19.604 438.374 19.974 8.131256       27.98706 
1 1 1 3   1  16 o 396.358 15.655 422.611   33.266  432.494   57.621  417.670   40.742  398.677 27.119 393.675 19.303 5.002350       33.28745 
1 1 1 3   1  18 o 762.318 19.495 1564.22   79.677  1575.98   137.947 1558.33   97.604  762.063 33.764 760.089 23.951 1.974548       41.39632 
1 1 1 3   1  20 o 210.959 15.394 120.257   17.290  132.177   21.184  96.469    29.926  220.911 18.044 186.251 31.063 34.65939       35.92329 
1 1 1 3   1  22 o 647.990 15.866 1129.84   55.119  1089.54   77.672  1170.73   78.232  635.050 22.813 658.431 22.162 -23.38177      31.80543 
1 1 1 3   1  24 o 194.746 15.214 102.734   15.758  97.566    20.889  109.559   24.007  188.845 20.987 199.908 22.807 -11.06296      30.99401 
1 1 1 3   1  26 o 618.452 18.203 1033.94   60.355  883.449   103.543 1111.39   74.279  564.709 34.363 640.091 21.645 -75.38159      40.61199 
1 1 1 3   1  28 o 172.167 22.749 82.442    20.484  55.483    34.672  96.898    25.389  138.091 42.591 185.872 26.205 -47.78143      50.00647 
1 1 1 3   1  30 o 226.838 19.475 142.498   23.455  145.752   29.744  137.148   38.140  227.220 24.820 215.685 34.118 11.53487       42.19072 
1 1 1 3   1  32 o 172.658 20.140 84.224    18.293  86.759    26.072  81.765    25.673  170.531 29.590 165.161 30.102 5.370575       42.21040 
1 1 1 3   1  34 f 231.278 17.672 150.544   21.746  159.624   30.920  141.657   30.590  232.693 25.187 217.864 26.751 14.82828       36.74255 
1 1 1 3   1  36 o 234.162 22.723 163.277   28.168  67.973    51.557  203.828   33.631  124.681 50.210 259.832 24.429 -135.1503      55.83756 
1 1 1 3   1  38 o 130.683 30.065 59.431    20.626  84.523    28.053  29.902    30.433  149.915 35.458 90.702  37.772 59.21220       51.80729 
1 1 1 3   1  40 o 83.225  32.655 26.078    21.258  33.028    28.552  17.434    31.844  88.730  36.738 78.808  35.555 9.921684       51.12549 
1 1 1 3   1  42 o 63.926  30.606 -3.7051   29.866  -25.7955  34.662  59.956    58.842  60.022  29.640 87.893  42.308 -27.87134      51.65769 
1 1 1 3   1  44 o 54.107  26.989 -23.2367  31.674  -131.1895 64.868  10.560    36.295  55.230  28.437 64.747  31.638 -9.516979      42.53957 
1 1 1 3   2  1  o 764.547 24.133 1573.97   98.919  1558.28   139.891 1589.66   139.894 758.980 34.379 766.653 34.035 -7.673218      48.37644 
1 1 1 3   2  3  o 274.642 15.427 203.243   22.624  187.714   39.286  210.948   27.673  262.223 28.398 279.502 18.573 -17.27896      33.93225 
1 1 1 3   2  5  f 250.336 14.049 168.873   18.780  160.057   22.955  186.720   32.659  243.307 17.719 262.120 23.489 -18.81371      29.42287 
1 1 1 3   2  7  o 646.891 31.846 1138.18   110.448 0.0000    0.0000  1138.18   110.448 ?       ?      646.891 31.846 0.000000       31.84594 
1 1 1 3   2  9  o 213.689 12.518 123.192   14.279  120.852   20.171  125.543   20.216  210.915 18.011 215.049 17.691 -4.133530      25.24594 
1 1 1 3   2  11 o 283.809 18.300 218.516   27.696  218.516   27.696  0.0000    0.0000  283.809 18.300 ?       ?      0.000000       18.29965 
1 1 1 3   2  13 o 443.671 13.881 529.928   33.018  530.979   46.693  528.876   46.695  443.164 19.653 442.278 19.693 0.8862305      27.82141 
1 1 1 3   2  15 o 742.445 16.960 1484.43   67.507  1498.74   95.467  1470.12   95.471  744.330 23.923 737.125 24.158 7.204895       33.99887 
1 1 1 3   2  17 o 351.918 15.403 332.880   29.062  362.258   50.503  318.336   35.535  365.321 25.954 343.336 19.384 21.98508       32.39377 
1 1 1 3   2  19 o 685.958 16.274 1264.95   59.848  1285.64   84.653  1244.27   84.623  690.589 22.864 679.325 23.235 11.26410       32.59787 
1 1 1 3   2  21 o 410.106 19.705 453.207   43.326  453.207   43.326  0.0000    0.0000  410.106 19.705 ?       ?      0.000000       19.70511 
1 1 1 3   2  23 o 256.500 14.083 177.503   19.293  168.253   26.190  188.479   28.528  248.914 19.788 263.444 20.356 -14.52969      28.38939 
1 1 1 3   2  25 o 688.557 16.080 1278.20   59.362  1156.02   83.281  1404.40   84.637  652.613 23.802 719.989 21.926 -67.37610      32.36214 
1 1 1 3   2  27 o 129.136 33.872 48.034    23.742  0.0000    0.0000  48.034    23.742  ?       ?      129.136 33.872 0.000000       33.87215 
1 1 1 3   2  29 o 306.204 15.491 255.311   25.347  250.332   35.032  260.783   36.721  300.891 21.866 306.877 22.476 -5.985809      31.35701 
1 1 1 3   2  31 o 332.360 22.063 309.880   39.091  309.880   39.091  0.0000    0.0000  332.360 22.063 ?       ?      0.000000       22.06325 
1 1 1 3   2  33 o 301.995 16.385 253.301   26.429  270.915   37.509  235.935   37.245  307.326 22.930 285.319 24.588 22.00693       33.62081 
1 1 1 3   2  35 o 90.297  33.552 24.045    21.667  19.367    40.122  25.971    25.743  96.846  41.939 94.114  36.210 2.731644       55.40802 
1 1 1 3   2  37 o 131.824 34.655 62.771    24.816  62.655    29.808  63.033    44.795  125.741 39.608 116.294 46.813 9.446892       61.32040 
1 1 1 3   2  39 o 138.574 31.949 70.645    23.250  61.217    32.619  80.381    33.149  113.227 41.322 131.781 41.796 -18.55447      58.77417 
1 1 1 3   2  41 o 76.006  33.879 18.125    27.968  32.909    33.439  -16.2963  51.022  85.603  37.653 72.653  35.893 12.95004       52.02005 
1 1 1 3   2  43 o 65.294  31.318 5.2526    31.595  53.526    59.571  -13.6415  37.269  79.686  39.256 61.917  30.606 17.76914       49.77709 
1 1 1 3   3  0  o 228.225 12.648 140.247   15.415  168.295   21.814  112.269   21.787  249.740 16.383 203.292 20.260 46.44853       26.05505 
1 1 1 3   3  2  o 528.095 20.706 750.648   58.624  722.127   82.899  779.181   82.916  515.943 30.100 536.236 28.948 -20.29291      41.76120 
1 1 1 3   3  4  o 720.184 23.451 1398.95   90.549  1448.64   128.084 1349.30   128.027 730.752 32.693 704.942 33.875 25.80951       47.07792 
1 1 1 3   3  6  o 470.108 28.675 601.737   71.928  601.737   71.928  0.0000    0.0000  470.108 28.675 ?       ?      0.000000       28.67542 
1 1 1 3   3  8  o 550.026 20.997 817.728   61.918  821.604   87.805  813.895   87.326  548.205 29.988 545.625 29.967 2.579651       42.39510 
1 1 1 3   3  10 o 105.797 15.127 30.764    8.3358  29.415    14.536  31.426    10.175  102.042 26.377 106.351 18.518 -4.309212      32.22840 
1 1 1 3   3  12 o 321.917 14.577 279.121   25.158  264.253   30.743  309.260   43.772  312.249 18.446 336.564 24.425 -24.31531      30.60748 
1 1 1 3   3  14 o 437.816 16.272 516.084   38.194  595.221   66.160  476.526   46.776  467.786 26.489 420.127 20.767 47.65894       33.65906 
1 1 1 3   3  16 o 381.742 15.674 391.742   32.079  427.726   55.498  373.688   39.311  397.046 26.219 372.014 19.781 25.03134       32.84418 
1 1 1 3   3  18 o 624.356 18.042 1048.50   60.393  1060.98   104.625 1042.26   73.959  625.977 31.175 621.962 22.180 4.014954       38.25988 
1 1 1 3   3  20 o 547.999 17.263 807.933   50.718  794.207   62.076  835.495   87.961  542.807 21.331 554.538 29.694 -11.73151      36.56144 
1 1 1 3   3  22 o 472.368 16.618 600.761   42.086  584.993   51.288  633.265   73.639  465.591 20.547 482.100 28.619 -16.50864      35.23049 
1 1 1 3   3  24 o 288.168 14.167 223.496   21.888  205.480   30.621  242.319   31.299  274.887 20.935 298.880 19.642 -23.99271      28.70682 
1 1 1 3   3  26 o 445.250 14.726 534.600   35.154  552.495   49.569  516.493   49.862  451.393 20.482 436.231 21.320 15.16211       29.56450 
1 1 1 3   3  28 o 152.941 23.050 65.541    18.313  28.545    28.676  91.024    23.799  106.968 38.788 180.041 25.358 -73.07250      46.34160 
1 1 1 3   3  30 o 119.970 28.527 42.417    18.080  45.769    21.818  35.071    32.302  123.630 32.491 113.158 41.147 10.47234       52.42813 
1 1 1 3   3  32 o 92.903  30.618 25.161    17.687  32.713    20.566  3.7142    34.658  103.977 32.915 88.151  38.564 15.82620       50.70114 
1 1 1 3   3  34 o 130.304 36.616 56.521    26.641  52.121    36.944  61.289    38.454  122.335 44.077 130.447 45.141 -8.112000      63.09090 
1 1 1 3   3  36 o 117.464 34.994 48.446    23.687  50.278    28.323  44.183    43.209  116.697 38.759 108.975 45.163 7.722252       59.51441 
1 1 1 3   3  38 o 265.967 19.228 211.652   27.233  198.198   38.094  225.715   38.946  240.136 30.261 259.501 28.460 -19.36485      41.54142 
1 1 1 3   3  40 o 71.120  31.358 11.340    23.323  4.6790    34.600  16.888    31.575  73.847  34.629 78.445  35.397 -4.598289      49.51822 
1 1 1 3   3  42 o 89.975  38.537 46.491    33.166  60.348    42.355  24.528    53.323  92.855  41.519 78.621  38.402 14.23431       56.55539 
1 1 1 3   3  44 o 99.281  40.431 81.088    33.853  85.357    74.346  79.971    38.023  74.583  37.737 91.745  40.258 -17.16222      55.17978 
1 1 1 3   4  1  o 1580.03 40.092 6817.09   339.623 6707.31   480.449 6926.74   480.150 1552.07 57.738 1578.26 56.745 -26.18701      80.95489 
1 1 1 3   4  3  o 472.953 19.849 602.748   50.329  602.748   50.329  0.0000    0.0000  472.953 19.849 ?       ?      0.000000       19.84855 
1 1 1 3   4  5  f 499.409 16.524 671.523   44.243  672.958   54.137  668.637   76.770  499.399 20.220 495.258 29.040 4.140198       35.38568 
1 1 1 3   4  7  o 483.250 14.931 628.784   38.685  601.670   47.297  683.581   67.238  472.127 18.685 501.880 24.989 -29.75284      31.20221 
1 1 1 3   4  9  o 452.341 13.430 550.729   32.570  564.405   46.100  537.098   46.022  457.032 18.814 445.755 19.258 11.27710       26.92255 
1 1 1 3   4  11 o 483.008 19.906 630.667   51.548  0.0000    0.0000  630.667   51.548  ?       ?      483.008 19.906 0.000000       19.90617 
1 1 1 3   4  13 f 1104.83 24.984 3305.16   147.990 3287.73   181.161 3340.14   256.579 1099.10 30.744 1099.55 43.525 -0.4541016     53.28753 
1 1 1 3   4  15 o 782.775 20.018 1650.01   84.010  1653.17   102.962 1643.71   145.309 782.635 24.538 777.715 34.850 4.919678       42.62203 
1 1 1 3   4  17 o 479.328 16.465 617.565   42.311  622.436   51.924  607.938   72.994  480.892 20.140 473.387 28.899 7.505035       35.22458 
1 1 1 3   4  19 o 221.335 13.431 132.072   15.863  141.253   22.437  122.898   22.429  228.370 18.484 212.724 19.897 15.64636       27.15817 
1 1 1 3   4  21 o 588.992 15.382 933.167   48.574  917.395   68.578  949.045   68.811  582.954 21.942 592.981 21.645 -10.02667      30.82117 
1 1 1 3   4  23 o 410.707 19.956 455.487   43.942  433.639   61.381  478.457   62.936  398.138 28.954 418.512 28.214 -20.37482      40.42738 
1 1 1 3   4  25 o 375.034 14.237 378.888   28.625  368.990   39.855  389.435   41.141  368.645 20.243 378.727 20.336 -10.08258      28.69347 
1 1 1 3   4  27 o 837.249 18.255 1903.26   81.942  1963.68   115.976 1843.04   115.793 845.270 25.592 818.251 26.395 27.01941       36.76471 
1 1 1 3   4  29 o 331.366 21.462 304.179   37.924  327.164   53.067  280.189   54.216  338.959 29.496 311.249 32.993 27.71027       44.25537 
1 1 1 3   4  31 o 272.403 18.099 205.905   26.281  241.762   44.758  187.036   32.468  287.588 29.444 256.359 23.899 31.22873       37.92202 
1 1 1 3   4  33 o 128.174 31.914 51.612    21.847  47.127    34.285  54.678    28.347  119.621 42.528 128.646 38.271 -9.025345      57.21293 
1 1 1 3   4  35 o 184.735 20.373 99.266    19.842  158.095   28.835  46.355    27.346  230.571 23.661 115.140 38.078 115.4306       44.83024 
1 1 1 3   4  37 o 88.589  31.900 26.827    19.349  23.363    37.561  28.078    22.575  90.198  39.781 90.076  34.086 0.1222153      52.38657 
1 1 1 3   4  39 o 93.614  33.261 33.901    20.968  17.745    32.938  44.909    27.188  81.039  36.397 102.045 37.650 -21.00650      52.36701 
1 1 1 3   4  41 o 67.826  30.246 9.9016    22.315  -40.2870  37.340  37.785    27.832  59.806  29.746 89.893  36.640 -30.08764      47.19452 
1 1 1 3   4  43 o 83.161  37.392 47.221    34.875  15.784    43.834  101.439   57.567  70.378  34.469 90.568  43.120 -20.18945      55.20409 
1 1 1 3   5  0  o 104.922 15.192 30.224    8.2970  38.244    14.720  26.489    10.045  116.790 24.299 97.360  19.915 19.43009       31.41763 
1 1 1 3   5  2  o 157.222 14.286 67.025    11.910  68.541    14.508  63.890    20.859  158.585 17.346 151.349 26.681 7.235641       31.82415 
1 1 1 3   5  4  o 250.625 12.769 169.323   17.100  184.290   24.197  154.390   24.170  260.898 17.399 238.439 19.067 22.45901       25.81208 
1 1 1 3   5  6  o 256.924 12.000 177.478   16.529  190.868   23.438  164.231   23.313  265.578 16.543 246.082 17.791 19.49588       24.29348 
1 1 1 3   5  8  o 386.639 15.442 402.809   32.010  385.998   39.057  437.200   55.865  377.445 19.366 400.058 26.191 -22.61304      32.57330 
1 1 1 3   5  10 o 268.448 12.803 193.794   18.426  197.538   21.245  182.427   37.017  270.498 14.705 257.658 27.209 12.83963       30.92786 
1 1 1 3   5  12 o 282.147 14.972 214.712   22.567  205.536   27.584  233.282   39.241  275.543 18.784 292.546 25.267 -17.00262      31.48476 
1 1 1 3   5  14 o 274.769 13.218 202.760   19.472  195.087   27.495  210.479   27.579  268.564 19.223 279.093 18.537 -10.52933      26.70446 
1 1 1 3   5  16 o 592.695 17.778 944.537   56.491  929.980   69.266  973.457   97.626  587.640 21.985 599.189 30.491 -11.54901      37.59050 
1 1 1 3   5  18 o 589.731 17.878 935.481   56.524  957.352   98.263  924.665   69.101  593.774 30.975 585.797 22.002 7.977539       37.99379 
1 1 1 3   5  20 o 243.524 15.482 160.135   20.109  163.117   34.829  158.644   24.628  243.998 27.082 241.918 19.145 2.079514       33.16537 
1 1 1 3   5  22 o 606.571 15.554 990.395   50.582  1038.04   71.612  942.953   71.457  619.810 21.550 590.512 22.571 29.29767       31.20650 
1 1 1 3   5  24 o 203.312 17.101 112.296   18.468  96.350    22.762  143.016   31.592  187.101 23.188 227.790 26.355 -40.68863      35.10381 
1 1 1 3   5  26 o 232.727 15.295 146.942   18.977  134.795   26.101  160.565   27.641  221.342 22.299 241.956 21.533 -20.61380      30.99882 
1 1 1 3   5  28 o 101.300 27.833 29.630    15.581  13.246    26.703  38.088    19.186  89.872  36.155 114.214 30.681 -24.34166      47.41837 
1 1 1 3   5  30 o 271.404 18.056 203.690   26.123  183.378   44.840  214.126   32.141  247.620 34.732 276.358 21.872 -28.73769      41.04445 
1 1 1 3   5  32 o 58.884  25.750 -1.0802   15.438  5.7081    31.507  -3.2248   17.709  85.654  37.128 61.074  27.106 24.58058       45.97024 
1 1 1 3   5  34 o 299.166 19.152 254.794   30.557  252.266   38.067  259.377   51.241  292.337 24.514 284.628 34.268 7.709320       42.13364 
1 1 1 3   5  36 o 168.633 27.988 91.294    24.417  86.993    29.976  99.775    42.091  155.414 36.584 151.463 46.962 3.950867       59.52940 
1 1 1 3   5  38 o 77.481  31.424 18.200    20.350  60.238    38.593  2.0099    23.950  110.733 43.823 67.427  30.588 43.30612       53.44246 
1 1 1 3   5  40 o 68.644  31.623 3.6906    26.927  0.0000    0.0000  3.6906    26.927  ?       ?      68.644  31.623 0.000000       31.62322 
1 1 1 3   5  42 o 151.411 33.089 95.463    26.110  138.349   44.109  72.329    32.396  140.800 48.368 109.402 40.952 31.39801       63.37632 
1 1 1 3   6  1  o 393.668 13.566 416.921   28.633  411.230   40.525  422.593   40.460  390.249 19.369 395.647 19.074 -5.398041      27.18441 
1 1 1 3   6  3  o 454.795 19.914 558.922   48.555  0.0000    0.0000  558.922   48.555  ?       ?      454.795 19.914 0.000000       19.91366 
1 1 1 3   6  5  o 497.863 20.277 670.093   54.122  0.0000    0.0000  670.093   54.122  ?       ?      497.863 20.277 0.000000       20.27667 
1 1 1 3   6  7  o 780.391 17.019 1641.78   71.204  1680.69   100.726 1602.91   100.671 787.450 23.859 768.812 24.424 18.63770       34.14316 
1 1 1 3   6  9  o 340.423 15.118 311.814   27.593  300.518   33.674  334.896   48.137  333.323 18.922 350.643 25.787 -17.31982      31.98429 
1 1 1 3   6  11 o 403.265 15.023 437.169   32.480  429.572   39.646  452.676   56.641  399.453 18.512 408.400 26.004 -8.946442      31.92062 
1 1 1 3   6  13 o 339.900 15.077 310.387   27.475  310.387   27.475  0.0000    0.0000  339.900 15.077 ?       ?      0.000000       15.07722 
1 1 1 3   6  15 o 926.135 18.949 2306.81   94.087  2265.82   133.030 2347.84   133.088 916.310 27.079 932.854 26.611 -16.54419      37.96592 
1 1 1 3   6  17 o 702.977 19.129 1329.76   72.094  1284.47   125.082 1352.30   88.223  688.110 33.905 708.269 23.233 -20.15894      41.10167 
1 1 1 3   6  19 o 535.697 21.186 773.813   60.847  0.0000    0.0000  773.813   60.847  ?       ?      535.697 21.186 0.000000       21.18609 
1 1 1 3   6  21 o 216.712 16.298 127.145   18.798  140.586   32.508  120.393   23.040  226.042 27.383 210.193 20.715 15.84885       34.33553 
1 1 1 3   6  23 o 492.053 14.728 651.936   38.853  640.927   54.932  662.956   54.959  486.750 21.050 495.118 20.704 -8.367249      29.52582 
1 1 1 3   6  25 o 67.740  24.651 10.330    11.597  9.7381    14.207  11.511    20.076  70.784  26.979 81.290  31.780 -10.50597      41.68681 
1 1 1 3   6  27 o 338.090 14.439 309.638   26.172  280.325   37.088  338.714   36.938  318.873 21.825 351.526 19.678 -32.65268      29.38682 
1 1 1 3   6  29 o 169.213 19.444 79.898    17.320  88.704    29.902  75.453    21.246  172.322 33.573 162.249 25.246 10.07324       42.00589 
1 1 1 3   6  31 o 62.232  26.023 3.6905    14.531  1.2631    18.750  7.3405    22.992  66.803  28.800 77.918  32.669 -11.11538      43.55119 
1 1 1 3   6  33 o 113.134 28.752 39.698    17.476  65.966    25.043  14.764    24.399  143.750 33.168 84.237  34.317 59.51332       47.72618 
1 1 1 3   6  35 o 172.148 24.390 90.214    21.881  102.191   29.974  76.550    32.015  175.133 33.136 143.657 40.059 31.47646       51.98800 
1 1 1 3   6  37 o 86.338  29.607 25.324    16.523  45.292    28.952  15.679    20.122  105.503 38.865 75.926  31.074 29.57755       49.75999 
1 1 1 3   6  39 o 91.912  39.786 35.167    36.078  0.0000    0.0000  35.167    36.078  ?       ?      91.912  39.786 0.000000       39.78579 
1 1 1 3   6  41 o 103.864 34.725 48.135    22.724  31.076    37.155  58.329    28.722  82.710  37.743 106.720 38.801 -24.01089      54.13007 
1 1 1 3   6  43 o 158.011 46.666 170.015   42.266  218.000   77.488  149.692   50.428  99.405  48.024 115.181 48.343 -15.77667      68.14172 
1 1 1 3   7  0  o 416.303 15.920 466.840   35.532  461.997   61.374  469.282   43.577  411.148 28.010 416.886 19.497 -5.738098      34.12771 
1 1 1 3   7  2  o 437.547 13.928 515.075   32.672  542.658   46.253  487.607   46.156  448.370 19.241 424.859 20.264 23.51108       27.94346 
1 1 1 3   7  4  o 394.653 13.531 418.851   28.630  436.553   40.558  401.270   40.419  402.310 18.804 385.112 19.641 17.19849       27.19131 
1 1 1 3   7  6  o 171.371 13.023 79.383    11.876  78.455    16.813  80.307    16.776  169.593 18.809 171.651 18.523 -2.057938      26.39787 
1 1 1 3   7  8  o 474.012 13.999 603.804   35.577  604.067   50.316  603.541   50.310  473.528 19.819 473.321 19.826 0.2070313      28.03325 
1 1 1 3   7  10 o 244.287 18.251 161.386   23.730  161.386   23.730  0.0000    0.0000  244.287 18.251 ?       ?      0.000000       18.25083 
1 1 1 3   7  12 o 268.822 13.052 194.003   18.811  202.033   21.592  168.719   38.315  273.877 14.759 248.264 29.354 25.61267       32.85586 
1 1 1 3   7  14 o 369.265 13.074 366.074   25.884  350.604   29.739  414.405   52.564  361.276 15.354 391.295 25.190 -30.01892      29.50039 
1 1 1 3   7  16 o 455.765 16.499 558.400   40.315  581.263   49.203  511.701   70.321  464.720 19.748 433.796 30.429 30.92331       36.27552 
1 1 1 3   7  18 o 871.457 21.376 2047.74   99.870  2072.63   173.292 2035.36   122.206 871.639 37.083 867.527 26.275 4.112244       45.44761 
1 1 1 3   7  20 o 538.002 17.285 779.532   49.857  753.124   61.216  831.560   85.926  528.118 21.621 552.576 29.107 -24.45807      36.25815 
1 1 1 3   7  22 o 383.382 14.072 395.546   28.923  430.638   41.142  361.257   40.669  399.356 19.216 364.957 20.872 34.39908       28.37026 
1 1 1 3   7  24 o 265.779 16.621 191.591   23.565  174.065   28.814  226.984   40.946  252.265 21.511 286.822 26.943 -34.55724      34.47681 
1 1 1 3   7  26 o 139.674 20.373 54.358    14.807  41.762    24.824  61.315    18.448  120.116 35.833 147.470 24.171 -27.35410      43.22336 
1 1 1 3   7  28 o 434.505 16.886 516.209   39.337  542.729   68.662  503.251   47.994  435.991 29.549 426.751 20.977 9.239380       36.23745 
1 1 1 3   7  30 o 488.463 17.554 658.731   45.971  654.802   79.742  660.686   56.261  470.932 31.769 485.563 21.612 -14.63065      38.42300 
1 1 1 3   7  32 o 147.832 21.275 63.031    16.377  79.917    26.424  52.500    20.867  160.483 31.835 130.144 30.448 30.33900       44.05201 
1 1 1 3   7  34 o 91.352  32.374 25.972    19.852  77.136    27.634  -28.5943  28.538  151.595 34.744 61.710  29.643 89.88472       45.67150 
1 1 1 3   7  36 o 79.412  30.431 19.051    18.136  -3.1603   40.487  24.628    20.286  80.017  37.502 86.572  32.406 -6.555168      49.56355 
1 1 1 3   7  38 o 74.853  30.409 16.049    19.091  -4.8937   43.163  21.142    21.287  78.015  37.198 80.928  32.378 -2.913109      49.31540 
1 1 1 3   7  40 o 57.959  27.147 -5.6310   21.161  9.6190    49.289  -9.0772   23.431  79.685  38.449 58.613  27.791 21.07229       47.44128 
1 1 1 3   7  42 o 59.685  29.081 -9.8623   30.047  -62.2898  50.237  19.338    37.492  59.503  30.205 72.411  34.565 -12.90798      45.90310 
1 1 1 3   8  1  o 624.575 18.187 1050.25   60.901  1079.10   74.575  992.485   105.523 632.463 21.993 603.385 32.742 29.07764       39.44316 
1 1 1 3   8  3  f 281.518 15.293 213.687   22.996  230.870   28.084  178.725   40.059  292.336 18.006 255.126 29.851 37.20961       34.86125 
1 1 1 3   8  5  o 753.596 19.347 1528.52   78.166  1567.62   95.830  1450.80   135.119 762.453 23.443 730.989 34.477 31.46423       41.69253 
1 1 1 3   8  7  o 355.121 15.380 338.787   29.283  332.305   35.938  351.594   50.513  350.981 19.171 360.081 26.349 -9.099609      32.58475 
1 1 1 3   8  9  f 629.594 15.533 1064.68   52.431  1051.01   74.139  1078.36   74.158  624.905 22.129 633.015 21.851 -8.109436      31.09938 
1 1 1 3   8  11 o 531.166 16.753 758.012   47.708  747.239   58.309  779.830   82.979  527.073 20.635 536.799 28.940 -9.726868      35.54266 
1 1 1 3   8  13 o 313.051 13.427 263.118   22.535  261.643   25.859  267.774   45.946  312.093 15.454 313.833 27.587 -1.740448      31.62111 
1 1 1 3   8  15 o 404.529 16.096 439.866   34.908  454.603   42.498  409.297   61.206  411.008 19.286 387.861 29.659 23.14713       35.37778 
1 1 1 3   8  17 o 225.107 16.206 136.990   19.428  152.107   23.544  104.734   34.392  236.954 18.685 193.437 34.424 43.51764       39.16851 
1 1 1 3   8  19 o 313.755 19.675 266.467   32.929  266.467   32.929  0.0000    0.0000  313.755 19.675 ?       ?      0.000000       19.67542 
1 1 1 3   8  21 o 276.725 28.100 210.441   41.110  0.0000    0.0000  210.441   41.110  ?       ?      276.725 28.100 0.000000       28.09958 
1 1 1 3   8  23 o 332.016 16.402 297.753   29.195  322.431   36.047  250.692   49.777  344.406 19.603 300.153 31.397 44.25266       37.01450 
1 1 1 3   8  25 o 460.934 20.867 580.682   51.566  0.0000    0.0000  580.682   51.566  ?       ?      460.934 20.867 0.000000       20.86657 
1 1 1 3   8  27 o 112.180 24.286 36.285    14.183  38.576    17.688  32.161    23.737  114.701 28.804 106.605 35.487 8.096237       45.70527 
1 1 1 3   8  29 f 116.976 25.726 40.200    15.695  40.479    34.376  40.126    17.641  117.591 42.495 115.992 28.559 1.599274       51.19961 
1 1 1 3   8  31 o 194.473 21.241 107.872   21.786  111.963   27.728  101.273   35.218  194.501 27.346 177.239 38.189 17.26263       46.97014 
1 1 1 3   8  33 o 168.866 21.057 83.032    18.650  58.279    29.732  99.089    23.947  128.886 39.388 181.674 25.270 -52.78833      46.79769 
1 1 1 3   8  35 o 80.713  32.084 18.202    20.771  18.969    30.256  17.518    28.567  86.702  36.963 84.721  36.012 1.981094       51.60513 
1 1 1 3   8  37 o 66.574  27.967 8.7251    16.903  24.407    33.148  3.2146    19.650  88.706  38.267 64.780  28.661 23.92664       47.81057 
1 1 1 3   8  39 o 77.728  31.589 19.901    20.612  -26.5876  37.963  39.334    24.545  65.989  32.268 97.150  35.785 -31.16161      48.18499 
1 1 1 3   8  41 o 145.490 39.885 104.058   32.039  153.887   45.426  54.734    45.195  154.077 48.934 88.936  40.970 65.14024       63.82120 
1 1 1 3   9  0  o 298.971 15.364 240.705   24.543  237.654   30.115  246.738   42.350  296.701 19.032 301.374 26.479 -4.672760      32.60947 
1 1 1 3   9  2  o 205.298 19.125 114.289   20.808  103.133   30.127  124.466   28.775  193.210 30.061 213.404 25.665 -20.19450      39.52632 
1 1 1 3   9  4  o 302.464 13.310 245.576   21.584  240.581   30.406  250.650   30.644  298.549 19.096 304.783 18.846 -6.233643      26.82967 
1 1 1 3   9  6  o 507.918 16.827 693.006   45.821  690.415   56.030  698.237   79.619  506.702 20.625 507.915 29.364 -1.212799      35.88356 
1 1 1 3   9  8  o 526.786 16.395 745.368   46.302  732.740   56.569  771.003   80.599  522.035 20.212 533.992 28.253 -11.95679      34.73856 
1 1 1 3   9  10 o 299.600 19.164 242.290   30.621  247.531   42.475  236.620   44.185  301.898 26.511 294.842 28.300 7.055328       38.77767 
1 1 1 3   9  12 o 721.525 23.646 1402.65   91.469  1406.21   128.893 1399.04   129.825 720.635 33.361 718.721 33.692 1.913513       47.41449 
1 1 1 3   9  14 f 611.538 17.911 1005.97   58.723  1007.82   71.839  1002.25   101.942 611.577 21.910 607.456 31.409 4.121704       38.29589 
1 1 1 3   9  16 o 174.446 13.842 82.286    12.839  76.784    14.632  100.706   26.773  168.162 16.439 191.131 26.869 -22.96919      31.49916 
1 1 1 3   9  18 o 451.212 16.427 547.983   39.739  547.983   39.739  0.0000    0.0000  451.212 16.427 ?       ?      0.000000       16.42734 
1 1 1 3   9  20 o 133.717 16.643 48.923    11.674  52.659    13.216  35.657    24.901  138.538 18.236 114.516 36.215 24.02178       40.54770 
1 1 1 3   9  22 f 129.651 21.055 46.764    14.133  53.759    18.101  35.839    22.621  138.269 25.353 113.156 34.308 25.11256       42.65907 
1 1 1 3   9  24 f 395.149 16.469 423.609   34.891  480.886   60.518  395.091   42.702  415.915 27.291 379.635 21.063 36.27972       34.47391 
1 1 1 3   9  26 o 201.880 21.393 113.544   22.802  150.126   32.706  78.948    31.806  230.049 27.033 161.777 37.416 68.27151       46.16002 
1 1 1 3   9  28 o 296.212 14.514 239.424   23.049  295.486   34.696  195.139   30.837  325.980 19.949 263.612 22.021 62.36761       29.71299 
1 1 1 3   9  30 f 90.058  32.851 21.881    20.614  -6.6597   35.653  36.213    25.265  83.164  37.562 108.858 36.614 -25.69460      52.45428 
1 1 1 3   9  32 o 335.444 15.746 313.165   28.318  345.342   42.079  286.530   38.284  344.681 22.901 313.847 22.911 30.83432       32.39380 
1 1 1 3   9  34 o 65.181  29.083 -0.3304   20.664  -11.6788  34.742  5.8822    25.705  74.303  34.797 75.170  33.040 -0.8669052     47.98400 
1 1 1 3   9  36 o 74.925  29.722 15.289    17.792  -0.2648   31.905  22.310    21.434  75.165  34.551 84.333  32.874 -9.168396      47.69142 
1 1 1 3   9  38 o 113.516 33.175 48.692    21.460  69.349    40.474  40.614    25.311  115.586 45.141 100.118 36.421 15.46813       58.00148 
1 1 1 3   9  40 o 90.702  35.395 37.662    24.869  13.147    60.867  42.574    27.247  80.074  39.493 93.774  36.914 -13.69982      54.05817 
1 1 1 3   10 1  o 349.926 15.994 328.808   30.005  244.664   52.086  370.600   36.708  299.233 33.016 371.394 18.435 -72.16068      37.81464 
1 1 1 3   10 3  o 1296.10 23.683 4520.37   164.568 4575.03   232.745 4465.73   232.723 1301.47 33.356 1285.71 33.762 15.75952       47.46029 
1 1 1 3   10 5  f 415.369 13.876 463.124   30.900  468.298   43.663  457.932   43.736  417.407 19.511 412.746 19.765 4.660248       27.77269 
1 1 1 3   10 7  o 725.751 18.897 1415.74   73.528  1329.71   126.983 1459.14   90.185  701.289 33.774 736.333 22.845 -35.04364      40.77428 
1 1 1 3   10 9  o 252.036 13.263 171.006   17.858  158.979   25.010  183.517   25.508  242.371 19.410 260.633 18.373 -18.26208      26.72630 
1 1 1 3   10 11 o 428.389 13.844 492.858   31.795  508.789   44.921  476.865   45.010  434.880 19.267 420.962 19.943 13.91794       27.72989 
1 1 1 3   10 13 o 451.194 16.476 547.369   39.855  560.116   48.742  521.655   69.228  456.099 19.933 438.018 29.654 18.08066       35.73080 
1 1 1 3   10 15 o 518.166 17.037 722.420   47.330  722.420   47.330  0.0000    0.0000  518.166 17.037 ?       ?      0.000000       17.03709 
1 1 1 3   10 17 o 501.714 14.628 676.995   39.348  683.589   45.311  656.771   79.356  503.891 16.772 490.613 30.318 13.27734       34.64815 
1 1 1 3   10 19 o 460.784 14.198 571.521   35.076  580.976   40.429  542.746   70.532  464.284 16.242 444.998 29.735 19.28644       33.88158 
1 1 1 3   10 21 o 168.656 34.449 81.649    30.096  0.0000    0.0000  81.649    30.096  ?       ?      168.656 34.449 0.000000       34.44898 
1 1 1 3   10 23 o 65.231  24.312 9.1044    11.393  8.0023    14.771  10.723    17.901  69.053  27.180 76.917  30.026 -7.863274      40.50084 
1 1 1 3   10 25 o 132.587 32.068 51.949    22.546  51.949    22.546  0.0000    0.0000  132.587 32.068 ?       ?      0.000000       32.06779 
1 1 1 3   10 27 f 84.049  30.583 17.736    17.849  -6.0262   30.363  30.285    22.065  78.996  35.250 102.670 34.216 -23.67389      49.12487 
1 1 1 3   10 29 o 130.963 24.130 50.064    16.318  76.427    37.721  43.994    18.099  151.190 43.926 120.902 28.405 30.28873       52.30981 
1 1 1 3   10 31 o 230.379 17.184 149.087   21.072  200.381   32.730  112.776   27.538  262.255 23.529 193.631 27.283 68.62343       36.02728 
1 1 1 3   10 33 o 272.839 19.089 214.753   27.747  243.375   53.596  204.273   32.432  263.577 39.114 261.547 23.375 2.030579       45.56630 
1 1 1 3   10 35 o 186.980 27.264 111.046   26.527  169.445   36.436  45.184    38.694  226.855 30.750 107.276 43.394 119.5794       53.18446 
1 1 1 3   10 37 o 104.135 36.694 42.727    25.469  68.704    37.005  19.348    35.107  121.131 44.041 85.645  38.081 35.48538       58.22194 
1 1 1 3   10 39 o 94.238  34.419 37.515    22.638  39.739    43.599  36.695    26.489  89.934  40.980 91.299  36.251 -1.365433      54.71293 
1 1 1 3   11 0  o 248.076 13.552 165.683   17.956  156.223   25.250  175.362   25.540  240.260 19.778 254.749 18.833 -14.48961      27.31052 
1 1 1 3   11 2  o 701.650 19.103 1323.32   71.861  1353.26   124.277 1308.27   88.078  707.683 32.755 697.157 23.565 10.52570       40.35121 
1 1 1 3   11 4  o 360.214 19.668 349.917   37.840  0.0000    0.0000  349.917   37.840  ?       ?      360.214 19.668 0.000000       19.66802 
1 1 1 3   11 6  o 1043.01 23.595 2929.97   131.939 3006.89   228.801 2891.65   161.494 1051.80 40.575 1034.91 29.106 16.89258       49.93466 
1 1 1 3   11 8  o 529.068 14.779 751.874   41.920  778.403   59.299  725.373   59.267  537.811 20.566 519.095 21.296 18.71631       29.60527 
1 1 1 3   11 10 o 409.236 15.805 450.096   34.676  471.959   59.544  438.875   42.656  417.221 26.761 403.816 19.703 13.40466       33.23141 
1 1 1 3   11 12 o 692.807 18.578 1291.77   69.005  1356.50   84.754  1164.50   118.851 709.336 22.286 653.907 34.019 55.42859       40.66867 
1 1 1 3   11 14 o 905.509 26.323 2218.29   127.790 2100.66   179.965 2337.94   181.488 876.707 38.288 925.675 36.569 -48.96869      52.94615 
1 1 1 3   11 16 o 282.607 13.826 214.778   20.948  221.927   23.961  191.590   43.152  286.723 15.646 263.477 31.151 23.24661       34.85969 
1 1 1 3   11 18 o 206.472 14.407 115.376   15.848  120.418   18.026  98.211    33.260  210.715 16.077 186.085 34.612 24.63081       38.16373 
1 1 1 3   11 20 o 221.877 21.026 135.049   24.713  139.464   35.654  130.967   34.284  222.750 30.668 215.801 30.481 6.948898       43.23948 
1 1 1 3   11 22 o 106.590 20.915 32.096    11.525  28.252    13.270  43.901    23.254  99.335  24.950 122.751 34.109 -23.41589      42.26030 
1 1 1 3   11 24 o 391.600 13.962 415.984   29.313  415.598   33.833  417.146   58.706  390.640 16.154 383.993 28.724 6.646423       32.95475 
1 1 1 3   11 26 o 132.171 22.358 49.843    15.278  49.843    15.278  0.0000    0.0000  132.171 22.358 ?       ?      0.000000       22.35760 
1 1 1 3   11 28 o 278.335 16.881 214.392   25.071  207.416   30.429  229.135   44.239  271.399 21.078 278.662 30.088 -7.263641      36.73680 
1 1 1 3   11 30 o 79.028  32.447 11.428    22.028  35.115    30.285  -15.1802  32.098  106.727 39.665 73.440  34.076 33.28651       52.29225 
1 1 1 3   11 32 o 104.597 30.869 35.629    18.499  27.589    29.139  41.059    23.944  96.113  38.066 109.802 35.596 -13.68892      52.11622 
1 1 1 3   11 34 o 131.186 36.247 61.430    26.340  65.505    35.221  56.259    39.676  127.926 43.229 117.561 45.019 10.36524       62.41383 
1 1 1 3   11 36 o 68.013  30.167 3.7673    21.899  25.294    37.825  -7.0860   26.858  91.560  40.166 66.683  31.018 24.87700       50.74836 
1 1 1 3   11 38 o 67.870  29.433 9.6341    19.819  52.734    39.748  -4.6269   22.864  100.533 42.594 61.177  28.511 39.35669       51.25542 
1 1 1 3   12 1  o 580.329 15.418 904.645   47.970  894.406   67.704  914.966   67.976  576.435 21.908 583.041 21.746 -6.605591      30.86824 
1 1 1 3   12 3  o 973.032 19.593 2546.70   102.212 2512.44   144.536 2580.97   144.564 964.769 27.944 977.926 27.573 -13.15735      39.25695 
1 1 1 3   12 5  o 597.755 15.593 960.010   49.973  951.792   70.633  968.245   70.711  594.503 22.161 599.640 21.995 -5.136780      31.22296 
1 1 1 3   12 7  o 641.224 15.738 1104.93   54.105  1112.79   76.496  1097.06   76.536  642.716 22.200 638.132 22.371 4.583557       31.51663 
1 1 1 3   12 9  o 460.569 16.695 570.358   41.225  568.789   50.539  573.477   71.268  459.581 20.511 459.522 29.078 0.5932617E-01  35.58405 
1 1 1 3   12 11 o 661.311 18.538 1177.31   65.726  1145.81   114.279 1192.89   80.344  648.641 32.970 665.000 22.535 -16.35840      39.93586 
1 1 1 3   12 13 o 616.552 18.110 1023.99   59.864  1015.12   104.241 1028.35   73.126  609.950 31.988 617.132 22.101 -7.181824      38.88078 
1 1 1 3   12 15 o 480.491 21.022 624.163   54.153  614.045   76.503  634.323   76.665  473.518 30.294 481.448 29.849 -7.930267      42.52840 
1 1 1 3   12 17 o 146.939 23.967 60.217    18.230  67.533    24.128  50.486    27.827  154.331 30.243 132.854 37.454 21.47696       48.13979 
1 1 1 3   12 19 o 252.839 14.151 173.150   19.105  177.370   21.831  159.350   39.479  255.544 16.016 237.599 31.789 17.94576       35.59515 
1 1 1 3   12 21 o 202.700 14.175 111.728   15.308  108.411   17.713  121.511   30.424  199.092 16.750 207.360 28.089 -8.267578      32.70440 
1 1 1 3   12 23 o 220.453 24.174 136.362   28.103  136.362   28.103  0.0000    0.0000  220.453 24.174 ?       ?      0.000000       24.17380 
1 1 1 3   12 25 o 163.683 17.773 74.357    15.346  75.674    18.137  71.037    28.794  164.024 21.115 152.770 35.783 11.25476       41.54826 
1 1 1 3   12 27 o 125.918 27.704 47.250    18.195  32.422    21.661  82.784    33.531  104.244 33.862 161.079 39.199 -56.83481      51.79958 
1 1 1 3   12 29 o 86.013  32.164 19.768    19.974  10.915    25.322  34.348    32.497  82.131  34.350 107.029 40.801 -24.89861      53.33513 
1 1 1 3   12 31 o 199.856 20.391 115.636   21.543  104.418   25.173  146.340   41.645  185.701 25.997 206.869 38.978 -21.16864      46.85254 
1 1 1 3   12 33 o 340.931 26.679 356.819   48.377  356.819   48.377  0.0000    0.0000  340.931 26.679 ?       ?      0.000000       26.67935 
1 1 1 3   12 35 o 101.900 38.159 38.706    28.133  40.351    39.184  36.955    40.418  102.697 42.821 100.606 42.802 2.090729       60.54431 
1 1 1 3   12 37 o 122.852 33.897 57.886    23.054  71.455    44.270  52.838    27.005  112.982 46.149 111.400 37.852 1.582542       59.68634 
1 1 1 3   13 0  o 487.256 14.563 637.736   38.044  598.008   53.728  677.685   53.877  471.292 21.264 501.830 20.025 -30.53839      29.20876 
1 1 1 3   13 2  o 742.075 19.827 1481.89   78.881  1503.54   96.538  1438.38   136.829 746.788 24.112 728.125 35.051 18.66266       42.54362 
1 1 1 3   13 4  f 223.027 20.131 134.973   23.812  134.973   23.812  0.0000    0.0000  223.027 20.131 ?       ?      0.000000       20.13143 
1 1 1 3   13 6  o 735.070 16.906 1453.02   66.626  1425.91   94.182  1480.19   94.265  726.981 24.164 740.774 23.735 -13.79272      33.87146 
1 1 1 3   13 8  o 478.285 14.580 614.834   37.387  619.019   52.840  610.638   52.907  479.287 20.563 476.011 20.731 3.275909       29.19993 
1 1 1 3   13 10 o 184.827 17.184 92.752    16.833  104.012   28.250  86.553    20.960  193.949 27.977 177.648 22.512 16.30058       35.90960 
1 1 1 3   13 12 o 379.379 14.058 387.219   28.594  391.350   40.356  383.055   40.519  380.207 19.867 376.089 20.169 4.118042       28.31045 
1 1 1 3   13 14 o 192.546 16.926 100.818   17.295  105.721   29.235  98.178    21.451  194.678 28.887 189.149 21.537 5.528885       36.03167 
1 1 1 3   13 16 f 358.357 28.839 355.254   54.939  355.254   54.939  0.0000    0.0000  358.357 28.839 ?       ?      0.000000       28.83940 
1 1 1 3   13 18 o 320.290 14.031 277.149   24.093  260.854   27.674  328.177   48.973  309.791 16.724 344.081 26.758 -34.28931      31.55451 
1 1 1 3   13 20 o 192.122 17.565 101.262   17.892  101.262   17.892  0.0000    0.0000  192.122 17.565 ?       ?      0.000000       17.56513 
1 1 1 3   13 22 o 143.526 20.454 57.683    15.294  51.428    19.385  67.994    24.890  133.060 28.056 152.219 31.536 -19.15924      42.20993 
1 1 1 3   13 24 o 139.168 25.210 55.873    18.117  61.254    21.367  42.106    34.176  144.565 28.581 120.490 42.501 24.07483       51.21696 
1 1 1 3   13 26 o 88.066  28.669 22.234    15.524  22.702    17.804  20.747    31.707  89.877  30.734 98.027  39.411 -8.149597      49.97785 
1 1 1 3   13 28 o 184.689 18.779 96.555    18.336  105.330   21.229  70.785    36.381  191.746 20.994 142.421 43.578 49.32465       48.37154 
1 1 1 3   13 30 o 259.700 18.557 191.538   25.668  191.538   25.668  0.0000    0.0000  259.700 18.557 ?       ?      0.000000       18.55732 
1 1 1 3   13 32 o 272.645 16.755 210.232   24.372  211.810   27.862  205.092   50.295  271.412 19.273 242.320 40.117 29.09146       44.50639 
1 1 1 3   13 34 o 128.307 51.390 82.582    53.689  82.582    53.689  0.0000    0.0000  128.307 51.390 ?       ?      0.000000       51.39006 
1 1 1 3   13 36 o 66.445  28.392 8.3011    17.926  1.9144    20.067  33.529    39.884  63.523  28.478 93.340  41.088 -29.81759      49.99221 
1 1 1 3   14 1  o 486.965 14.522 637.313   37.914  571.474   53.410  704.192   53.829  460.406 21.638 511.336 19.636 -50.92981      29.21875 
1 1 1 3   14 3  f 541.278 17.439 788.469   50.606  802.945   87.266  781.134   62.118  543.326 30.075 538.202 21.528 5.123840       36.98604 
1 1 1 3   14 5  o 411.564 14.092 455.334   31.093  424.161   43.846  486.869   44.101  396.052 20.721 425.051 19.352 -28.99976      28.35286 
1 1 1 3   14 7  o 277.291 16.628 207.775   24.606  218.694   29.973  185.207   43.090  284.045 19.806 258.911 31.705 25.13416       37.38278 
1 1 1 3   14 9  o 424.355 20.245 486.546   46.059  497.396   64.685  475.386   65.600  426.530 28.450 416.621 29.561 9.908722       41.02765 
1 1 1 3   14 11 o 271.766 16.393 199.946   23.773  189.596   28.700  222.567   42.430  263.884 20.446 284.176 28.223 -20.29227      34.85044 
1 1 1 3   14 13 o 250.125 14.770 169.345   19.719  173.646   28.719  165.508   27.123  251.962 21.464 246.108 20.750 5.854584       29.85434 
1 1 1 3   14 15 o 265.468 13.999 190.738   19.853  185.838   28.057  195.652   28.097  260.671 20.235 267.635 19.720 -6.963715      28.25474 
1 1 1 3   14 17 o 117.217 25.750 39.271    15.740  39.271    15.740  0.0000    0.0000  117.217 25.750 ?       ?      0.000000       25.74969 
1 1 1 3   14 19 o 97.489  24.340 27.259    12.683  12.787    15.195  60.496    23.027  75.679  28.102 144.271 30.713 -68.59229      41.62992 
1 1 1 3   14 21 o 91.990  26.815 24.231    14.037  28.525    15.740  7.5432    31.030  99.318  28.228 89.866  37.830 9.452568       47.20047 
1 1 1 3   14 23 o 182.103 24.957 94.647    23.725  66.621    30.282  139.191   38.177  146.849 38.127 216.415 34.027 -69.56653      51.10289 
1 1 1 3   14 25 o 133.500 23.327 51.648    16.088  46.886    18.512  66.346    32.522  125.072 28.271 143.076 40.545 -18.00383      49.42821 
1 1 1 3   14 27 o 335.255 14.933 309.933   26.841  304.288   30.725  328.120   55.150  330.130 17.421 328.315 31.727 1.814911       36.19557 
1 1 1 3   14 29 o 161.143 22.208 75.712    18.677  75.712    18.677  0.0000    0.0000  161.143 22.208 ?       ?      0.000000       22.20835 
1 1 1 3   14 31 o 147.594 42.085 79.481    34.928  79.481    34.928  0.0000    0.0000  147.594 42.085 ?       ?      0.000000       42.08476 
1 1 1 3   14 33 o 130.107 38.202 62.553    28.398  76.438    38.471  45.931    42.093  135.434 45.182 109.253 44.855 26.18076       63.66647 
1 1 1 3   14 35 o 117.704 30.290 48.533    19.226  35.511    21.603  98.132    42.161  97.686  33.833 141.295 47.299 -43.60886      58.15387 
1 1 1 3   15 0  o 405.669 14.287 442.770   31.074  416.665   43.760  469.320   44.132  392.170 20.888 416.961 19.742 -24.79129      28.74112 
1 1 1 3   15 2  o 267.900 20.001 194.881   28.521  193.070   41.236  196.542   39.489  264.660 29.567 267.440 27.954 -2.780792      40.68946 
1 1 1 3   15 4  o 572.183 17.743 883.159   54.428  885.086   94.005  882.187   66.755  568.385 30.965 570.956 21.808 -2.571411      37.87395 
1 1 1 3   15 6  o 307.642 16.061 255.848   26.398  248.910   44.855  259.525   32.651  300.835 28.138 309.185 19.801 -8.350586      34.40681 
1 1 1 3   15 8  o 383.743 14.234 396.767   29.285  402.092   41.291  391.378   41.542  384.834 20.082 379.560 20.490 5.274231       28.69051 
1 1 1 3   15 10 o 194.092 14.457 102.148   14.936  108.904   22.017  96.388    20.329  199.247 20.923 187.395 20.573 11.85150       29.34304 
1 1 1 3   15 12 o 368.237 16.473 366.792   32.522  378.827   58.613  361.438   39.092  369.364 29.854 364.211 20.098 5.153107       35.98825 
1 1 1 3   15 14 o 141.530 24.090 56.331    17.624  56.331    17.624  0.0000    0.0000  141.530 24.090 ?       ?      0.000000       24.08996 
1 1 1 3   15 16 o 125.130 18.478 43.496    12.023  59.221    17.390  29.095    16.642  145.213 23.111 101.006 29.127 44.20712       37.18180 
1 1 1 3   15 18 o 319.713 14.290 276.998   24.494  289.812   33.954  263.094   35.368  324.937 19.582 308.798 21.497 16.13892       29.07878 
1 1 1 3   15 20 o 318.876 17.542 278.784   29.874  268.097   35.646  304.006   54.758  310.950 21.514 325.032 31.832 -14.08215      38.42011 
1 1 1 3   15 22 o 184.540 18.548 94.713    18.102  103.142   20.304  62.053    39.966  192.098 20.009 139.785 46.024 52.31331       50.18509 
1 1 1 3   15 24 o 292.272 16.221 235.906   25.318  248.094   29.081  197.742   51.461  298.596 18.254 250.298 39.672 48.29796       43.66976 
1 1 1 3   15 26 o 85.071  30.199 20.013    17.281  20.013    17.281  0.0000    0.0000  85.071  30.199 ?       ?      0.000000       30.19854 
1 1 1 3   15 28 o 194.622 20.120 108.111   20.691  109.330   23.484  103.882   43.745  193.951 23.035 169.496 46.663 24.45496       52.03870 
1 1 1 3   15 30 o 163.863 32.270 86.012    27.341  76.626    35.139  100.412   43.525  145.362 42.442 161.667 47.245 -16.30469      63.50955 
1 1 1 3   15 32 o 195.286 36.221 131.683   36.527  193.264   56.046  86.213    48.160  217.323 49.242 137.605 50.210 79.71722       70.32661 
1 1 1 3   16 1  o 289.280 16.333 226.546   25.227  245.413   43.120  216.728   31.105  298.609 27.234 282.074 20.713 16.53464       34.21598 
1 1 1 3   16 3  o 479.480 14.678 619.776   37.731  579.043   53.401  660.383   53.318  461.952 21.562 493.711 20.143 -31.75949      29.50696 
1 1 1 3   16 5  o 456.952 17.009 564.263   41.670  564.873   73.364  563.973   50.629  452.281 30.433 455.952 20.711 -3.670624      36.81168 
1 1 1 3   16 7  o 481.168 21.014 628.952   54.210  0.0000    0.0000  628.952   54.210  ?       ?      481.168 21.014 0.000000       21.01400 
1 1 1 3   16 9  o 117.945 21.558 39.005    13.130  43.351    16.791  32.166    21.063  123.533 26.166 107.432 33.207 16.10066       42.27713 
1 1 1 3   16 11 o 372.432 16.238 375.492   32.423  391.146   40.370  347.043   54.422  378.672 19.955 353.218 28.994 25.45392       35.19769 
1 1 1 3   16 13 o 311.145 16.316 263.125   27.122  311.654   51.578  244.578   31.886  333.927 29.101 298.905 20.013 35.02148       35.31830 
1 1 1 3   16 15 o 244.426 14.520 162.331   18.942  164.627   26.902  160.074   26.676  244.480 20.719 241.011 20.850 3.469299       29.39394 
1 1 1 3   16 17 o 122.578 21.146 42.384    13.395  42.694    22.111  42.203    16.835  120.489 33.176 120.855 26.695 -0.3657227     42.58278 
1 1 1 3   16 19 o 229.602 20.344 146.417   24.784  147.799   29.667  143.225   45.092  228.910 24.557 216.757 40.285 12.15234       47.17938 
1 1 1 3   16 21 o 47.267  21.852 -9.6097   13.026  -6.0221   14.894  -21.2831  26.867  54.144  24.382 65.605  30.684 -11.46054      39.19196 
1 1 1 3   16 23 o 96.729  30.637 27.617    17.816  27.617    17.816  0.0000    0.0000  96.729  30.637 ?       ?      0.000000       30.63738 
1 1 1 3   16 25 o 248.811 23.003 177.058   30.337  137.834   38.370  242.469   49.549  210.792 35.193 282.303 33.384 -71.51135      48.50806 
1 1 1 3   16 27 o 197.981 31.728 120.618   32.540  124.185   46.125  117.085   45.913  187.744 46.151 181.282 46.888 6.462234       65.79028 
1 1 1 3   16 29 o 143.975 38.738 71.388    30.557  42.754    43.914  98.266    42.547  114.102 46.202 161.364 46.584 -47.26179      65.61069 
1 1 1 3   16 31 o 130.566 31.040 56.292    21.409  62.966    24.584  35.343    43.555  135.860 33.870 104.304 44.404 31.55671       55.84705 
1 1 1 3   17 0  o 215.522 17.683 126.537   20.252  123.721   25.123  131.763   34.224  212.061 22.438 216.748 30.278 -4.686539      37.68573 
1 1 1 3   17 2  o 625.470 18.419 1059.94   61.765  1093.85   75.736  992.597   106.730 633.839 22.287 597.196 33.470 36.64313       40.21106 
1 1 1 3   17 4  o 550.243 15.112 817.709   44.582  832.709   63.221  802.872   62.878  553.231 21.315 543.124 21.594 10.10699       30.34158 
1 1 1 3   17 6  o 146.233 25.031 60.108    18.919  56.945    30.011  62.193    24.371  139.898 38.705 147.103 31.827 -7.205093      50.11045 
1 1 1 3   17 8  o 265.324 16.817 191.441   23.798  216.952   43.358  180.443   28.470  278.603 29.475 256.560 20.879 22.04321       36.12089 
1 1 1 3   17 10 o 518.096 17.785 728.847   49.402  729.081   60.423  728.375   85.801  516.518 21.819 510.155 31.525 6.363037       38.33921 
1 1 1 3   17 12 o 305.987 17.145 255.128   28.014  269.994   52.699  249.274   33.074  308.619 32.330 301.366 20.593 7.253723       38.33160 
1 1 1 3   17 14 o 124.935 39.997 45.280    30.302  0.0000    0.0000  45.280    30.302  ?       ?      124.935 39.997 0.000000       39.99695 
1 1 1 3   17 16 o 109.728 24.081 34.666    13.778  67.654    29.049  25.092    15.650  149.923 36.486 93.818  28.556 56.10487       46.33246 
1 1 1 3   17 18 o 82.056  26.715 18.636    13.480  24.389    29.594  17.129    15.142  101.357 38.865 80.997  28.310 20.36037       48.08253 
1 1 1 3   17 20 o 304.160 19.298 256.916   31.306  236.337   38.086  299.783   54.970  288.397 24.876 318.841 32.616 -30.44376      41.01986 
1 1 1 3   17 22 o 234.092 21.606 154.525   26.810  144.529   33.283  172.995   45.242  222.335 28.584 237.555 36.706 -15.22060      46.52282 
1 1 1 3   17 24 o 127.871 33.973 50.992    23.686  34.270    29.260  82.779    40.343  108.200 39.189 156.081 45.449 -47.88126      60.01217 
1 1 1 3   17 26 o 139.548 40.653 65.524    32.271  99.061    48.265  38.410    43.398  163.357 50.229 114.961 46.147 48.39558       68.20912 
1 1 1 3   17 28 f 245.234 21.726 174.263   28.269  173.831   33.526  175.326   52.582  240.764 26.406 219.936 46.069 20.82852       53.10002 
1 1 1 3   17 30 o 51.156  24.742 -25.9853  20.715  -25.9853  20.715  0.0000    0.0000  51.156  24.742 ?       ?      0.000000       24.74225 
1 1 1 3   18 1  o 208.639 17.339 118.747   19.220  131.905   23.829  94.249    32.514  219.244 20.511 180.867 34.794 38.37732       40.38953 
1 1 1 3   18 3  o 155.787 19.246 66.914    15.733  105.952   30.276  52.472    18.415  193.482 30.171 136.025 26.201 57.45729       39.96014 
1 1 1 3   18 5  o 75.130  28.610 11.305    15.967  26.201    24.308  0.0000    21.176  101.623 35.844 71.696  30.753 29.92712       47.22821 
1 1 1 3   18 7  o 108.580 24.638 33.647    14.014  28.344    16.039  50.761    28.813  99.828  28.537 131.911 38.409 -32.08290      47.85001 
1 1 1 3   18 9  o 159.618 19.663 70.509    16.471  67.866    27.672  71.959    20.497  152.146 34.694 159.882 24.709 -7.735870      42.59344 
1 1 1 3   18 11 o 46.019  19.999 -1.2780   9.1875  9.2365    15.256  -7.2616   11.509  71.133  27.732 45.915  20.973 25.21766       34.77027 
1 1 1 3   18 13 o 87.782  23.017 22.086    10.966  23.011    16.438  21.345    14.720  91.093  29.490 87.595  27.859 3.497627       40.56851 
1 1 1 3   18 15 o 182.432 16.590 91.598    16.049  86.414    23.736  95.963    21.782  173.812 26.294 184.836 22.440 -11.02438      34.56768 
1 1 1 3   18 17 o 227.590 17.888 143.018   21.650  153.257   27.871  127.441   34.379  233.707 22.523 208.399 31.775 25.30725       38.94799 
1 1 1 3   18 19 o 254.065 15.942 177.266   21.604  208.537   31.296  148.799   29.860  273.036 21.555 228.834 24.732 44.20155       32.80711 
1 1 1 3   18 21 f 95.854  29.760 26.867    16.896  37.202    19.453  -4.8761   34.092  111.160 31.308 83.651  37.337 27.50876       48.72637 
1 1 1 3   18 23 f 66.343  28.396 2.0883    17.985  -9.2241   20.169  45.987    39.732  61.204  27.883 122.299 45.436 -61.09438      53.30944 
1 1 1 3   18 25 o 143.211 31.786 63.882    23.768  60.337    27.900  73.263    45.386  135.911 37.204 142.120 49.049 -6.208710      61.56263 
1 1 1 3   18 27 o 158.624 35.700 83.140    29.627  83.140    29.627  0.0000    0.0000  158.624 35.700 ?       ?      0.000000       35.69955 
1 1 1 3   19 0  o 228.301 17.745 142.490   21.549  143.469   39.375  142.072   25.747  223.573 33.914 226.969 21.412 -3.395889      40.10786 
1 1 1 3   19 2  o 151.652 17.377 63.277    13.873  73.080    20.002  54.190    19.258  161.445 23.825 137.708 27.050 23.73692       36.04643 
1 1 1 3   19 4  o 137.770 18.034 52.503    13.001  51.306    17.550  53.957    19.354  134.288 25.305 137.257 27.262 -2.969284      37.19580 
1 1 1 3   19 6  o 129.766 26.108 48.220    17.535  26.712    20.934  98.789    32.100  99.263  33.329 184.298 33.730 -85.03574      47.41851 
1 1 1 3   19 8  o 241.067 15.521 158.449   19.953  148.319   28.048  168.828   28.390  230.893 22.963 246.952 21.662 -16.05882      31.56767 
1 1 1 3   19 10 o 200.102 18.310 110.299   19.425  118.627   25.429  98.630    30.101  205.872 23.458 184.341 31.594 21.53049       39.35025 
1 1 1 3   19 12 o 76.860  28.113 13.965    15.111  12.091    18.055  18.348    27.610  78.077  30.245 94.979  37.231 -16.90263      47.96742 
1 1 1 3   19 14 o 238.106 23.329 158.819   29.398  158.819   29.398  0.0000    0.0000  238.106 23.329 ?       ?      0.000000       23.32859 
1 1 1 3   19 16 o 274.653 18.809 208.219   27.529  219.943   33.114  181.984   49.535  280.761 22.180 245.542 38.927 35.21922       44.80210 
1 1 1 3   19 18 o 185.919 22.369 97.528    21.849  95.993    26.102  101.121   39.937  182.148 27.592 178.965 42.293 3.183533       50.49779 
1 1 1 3   19 20 o 98.135  31.460 28.095    18.742  3.1160    22.191  90.257    35.007  73.942  31.592 169.236 39.330 -95.29454      50.44738 
1 1 1 3   19 22 o 175.102 24.744 88.933    22.582  81.134    26.606  109.026   42.704  163.432 31.507 180.434 44.438 -17.00215      54.47396 
1 1 1 3   19 24 o 78.231  33.468 6.1405    24.962  6.1405    24.962  0.0000    0.0000  78.231  33.468 ?       ?      0.000000       33.46771 
1 1 1 3   20 1  o 127.250 26.815 46.563    17.717  0.0000    0.0000  46.563    17.717  ?       ?      127.250 26.815 0.000000       26.81498 
1 1 1 3   20 3  o 96.467  23.212 26.639    11.860  16.640    16.148  38.349    17.475  82.002  29.183 114.997 28.490 -32.99495      40.78379 
1 1 1 3   20 5  o 199.301 19.222 109.523   20.284  130.275   34.436  98.497    25.101  213.148 31.046 186.843 25.741 26.30478       40.32895 
1 1 1 3   20 7  o 204.698 16.621 114.748   18.083  113.514   24.864  116.133   26.348  201.515 23.453 203.425 24.663 -1.909592      34.03364 
1 1 1 3   20 9  o 124.427 24.638 44.309    15.855  62.090    29.775  37.272    18.731  143.751 38.041 113.005 30.297 30.74594       48.63166 
1 1 1 3   20 11 o 153.577 22.310 66.342    17.832  63.673    24.551  69.323    25.945  147.106 32.036 153.449 32.545 -6.342850      45.66739 
1 1 1 3   20 13 o 96.564  26.718 26.976    14.300  36.000    20.853  18.966    19.646  110.839 32.791 87.900  32.070 22.93869       45.86657 
1 1 1 3   20 15 o 45.641  21.138 -9.6243   12.267  -21.7245  22.039  -4.1933   14.765  57.981  27.329 55.676  24.729 2.304298       36.85612 
1 1 1 3   20 17 o 50.844  22.923 -5.7769   13.209  -30.8712  24.825  4.1334    15.600  58.166  27.863 65.086  27.069 -6.919811      38.84658 
1 1 1 3   20 19 o 81.497  27.124 18.463    13.867  40.020    27.124  10.834    16.136  114.834 37.921 73.141  28.519 41.69242       47.44814 
1 1 1 3   20 21 o 218.758 24.334 138.084   28.056  170.904   39.565  104.891   39.789  238.020 31.800 178.005 42.314 60.01572       52.93140 
1 1 1 3   21 0  o 194.247 20.266 104.297   20.795  109.868   25.560  93.393    35.761  198.054 24.602 177.054 38.749 20.99966       45.89959 
1 1 1 3   21 2  o 309.221 17.144 260.951   28.311  245.632   34.236  294.085   50.350  298.447 21.541 322.966 29.400 -24.51898      36.44731 
1 1 1 3   21 4  o 201.592 18.533 111.792   19.807  91.970    34.134  121.854   24.319  176.029 37.327 209.495 21.980 -33.46558      43.31739 
1 1 1 3   21 6  o 167.344 20.164 77.764    17.726  73.986    21.466  85.865    31.432  161.475 25.653 170.458 35.545 -8.982620      43.83489 
1 1 1 3   21 8  o 49.870  22.039 -3.1547   11.585  -9.3961   15.223  5.4344    17.858  52.671  24.084 70.727  29.148 -18.05542      37.81021 
1 1 1 3   21 10 o 53.962  23.646 -2.3720   13.078  3.6669    37.238  -3.2216   13.967  94.162  40.590 55.054  24.271 39.10833       47.29313 
1 1 1 3   21 12 o 113.453 29.178 37.833    17.848  49.748    36.506  34.090    20.460  129.465 44.010 107.992 32.602 21.47269       54.77022 
1 1 1 3   21 14 o 101.096 32.437 29.450    19.921  24.450    30.337  33.240    26.414  101.949 39.285 108.352 37.418 -6.402840      54.25298 
1 1 1 3   21 16 o 157.806 22.751 70.950    18.692  74.724    32.163  69.026    22.969  154.386 38.880 152.912 29.081 1.473816       48.55223 
1 1 1 3   22 1  o 121.910 24.782 42.571    15.645  56.413    19.996  20.721    25.123  139.920 27.636 95.370  35.990 44.54967       45.37641 
1 1 1 3   22 3  o 108.439 24.001 33.755    13.584  52.491    19.115  14.637    19.309  134.870 27.371 82.741  31.472 52.12808       41.70961 
1 1 1 3   22 5  o 193.169 20.682 103.646   21.087  101.499   25.106  108.787   38.853  189.514 25.344 190.005 39.432 -0.4908447     46.87420 
1 1 1 3   22 7  f 72.713  27.346 11.511    14.478  -9.0976   22.006  27.242    19.226  65.547  29.566 98.423  31.896 -32.87676      43.49126 
1 1 1 3   22 9  f 164.923 19.138 75.642    16.608  75.286    23.589  75.992    23.385  161.251 28.320 162.194 27.899 -0.9435577     39.75363 
1 1 1 3   22 11 o 75.286  27.251 13.850    14.146  29.956    25.173  6.4169    17.101  104.168 36.496 70.088  28.661 34.08065       46.40516 
1 1 1 3   23 0  o 126.601 27.701 46.663    18.279  33.818    29.090  55.044    23.498  111.135 39.210 136.182 32.614 -25.04678      51.00085 
1 1 1 3   23 2  o 104.138 26.467 31.539    14.808  25.756    20.241  38.200    21.721  96.847  32.771 113.866 33.404 -17.01895      46.79519 
1 1 1 4   0  0  o 235.291 26.485 154.366   32.321  154.366   32.321  154.366   32.321  235.291 26.485 235.291 26.485 0.000000       0.000000 
1 1 1 4   0  2  o 170.011 18.276 80.243    16.171  80.243    16.171  80.243    16.171  170.011 18.276 170.011 18.276 0.000000       0.000000 
1 1 1 4   0  4  o 322.973 18.634 282.926   32.020  282.926   32.020  282.926   32.020  322.973 18.634 322.973 18.634 0.000000       0.000000 
1 1 1 4   0  6  o 69.891  29.681 18.655    11.287  18.655    11.287  18.655    11.287  69.891  29.681 69.891  29.681 0.000000       0.000000 
1 1 1 4   0  8  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 4   0  10 o 283.060 18.482 218.295   27.773  218.295   27.773  218.295   27.773  283.060 18.482 283.060 18.482 0.000000       0.000000 
1 1 1 4   0  12 o 181.346 18.524 91.178    17.580  91.178    17.580  91.178    17.580  181.346 18.524 181.346 18.524 0.000000       0.000000 
1 1 1 4   0  14 o 727.787 33.769 1440.52   131.117 1440.52   131.117 1440.52   131.117 727.787 33.769 727.787 33.769 0.000000       0.000000 
1 1 1 4   0  16 o 151.011 20.007 64.381    15.405  64.381    15.405  64.381    15.405  151.011 20.007 151.011 20.007 0.000000       0.000000 
1 1 1 4   0  18 o 293.612 18.953 234.307   29.549  234.307   29.549  234.307   29.549  293.612 18.953 293.612 18.953 0.000000       0.000000 
1 1 1 4   0  20 o 246.878 27.656 169.999   35.426  169.999   35.426  169.999   35.426  246.878 27.656 246.878 27.656 0.000000       0.000000 
1 1 1 4   0  22 o 154.016 22.479 67.691    17.407  67.691    17.407  67.691    17.407  154.016 22.479 154.016 22.479 0.000000       0.000000 
1 1 1 4   0  24 o 160.237 38.346 80.084    28.577  80.084    28.577  80.084    28.577  160.237 38.346 160.237 38.346 0.000000       0.000000 
1 1 1 4   0  26 o 537.499 31.505 789.206   90.073  789.206   90.073  789.206   90.073  537.499 31.505 537.499 31.505 0.000000       0.000000 
1 1 1 4   0  28 o 240.484 24.783 161.195   31.175  161.195   31.175  161.195   31.175  240.484 24.783 240.484 24.783 0.000000       0.000000 
1 1 1 4   0  30 o 180.303 47.111 106.148   39.350  106.148   39.350  106.148   39.350  180.303 47.111 180.303 47.111 0.000000       0.000000 
1 1 1 4   0  32 o 355.618 22.494 347.717   42.493  347.717   42.493  347.717   42.493  355.618 22.494 355.618 22.494 0.000000       0.000000 
1 1 1 4   0  34 o 115.159 54.733 56.910    38.517  56.910    38.517  56.910    38.517  115.159 54.733 115.159 54.733 0.000000       0.000000 
1 1 1 4   0  36 o 128.301 47.071 62.705    29.909  62.705    29.909  62.705    29.909  128.301 47.071 128.301 47.071 0.000000       0.000000 
1 1 1 4   0  38 o 107.698 56.935 55.217    43.986  55.217    43.986  55.217    43.986  107.698 56.935 107.698 56.935 0.000000       0.000000 
1 1 1 4   0  40 o 76.124  46.081 21.415    34.672  21.415    34.672  21.415    34.672  76.124  46.081 76.124  46.081 0.000000       0.000000 
1 1 1 4   0  42 o 69.287  43.563 13.829    33.925  13.829    33.925  13.829    33.925  69.287  43.563 69.287  43.563 0.000000       0.000000 
1 1 1 4   0  44 o 63.164  44.793 -49.4105  63.640  -49.4105  63.640  -49.4105  63.640  63.164  44.793 63.164  44.793 0.000000       0.000000 
1 1 1 4   1  1  o 143.897 18.987 56.640    14.290  0.0000    0.0000  56.640    14.290  ?       ?      143.897 18.987 0.000000       18.98697 
1 1 1 4   1  3  o 198.327 17.548 106.596   18.466  0.0000    0.0000  106.596   18.466  ?       ?      198.327 17.548 0.000000       17.54752 
1 1 1 4   1  5  o 292.500 12.779 229.826   20.040  235.995   28.344  223.661   28.338  295.558 17.973 287.637 18.474 7.921234       25.77422 
1 1 1 4   1  7  o 483.744 20.151 631.670   52.261  631.670   52.261  0.0000    0.0000  483.744 20.151 ?       ?      0.000000       20.15087 
1 1 1 4   1  9  o 78.925  13.803 17.254    5.6279  20.438    7.9918  14.122    7.9267  85.427  18.017 71.276  19.953 14.15119       26.88371 
1 1 1 4   1  11 o 776.669 20.010 1632.42   83.322  1612.07   102.074 1673.06   144.246 769.901 24.729 779.035 34.536 -9.134827      42.47680 
1 1 1 4   1  13 o 274.066 12.899 201.993   18.953  201.029   26.798  202.957   26.809  272.343 18.463 273.666 18.379 -1.322754      26.05104 
1 1 1 4   1  15 o 243.227 12.846 159.378   16.692  162.994   23.660  155.794   23.552  245.384 18.113 239.828 18.459 5.556229       25.86114 
1 1 1 4   1  17 o 487.385 20.216 639.527   52.826  612.351   74.481  667.036   74.935  474.896 29.398 495.948 28.300 -21.05237      40.80582 
1 1 1 4   1  19 f 358.123 13.491 344.511   25.903  360.127   36.631  328.892   36.635  365.322 18.766 348.960 19.662 16.36267       27.17963 
1 1 1 4   1  21 o 522.684 17.002 735.465   47.644  740.910   58.319  724.537   82.618  524.071 20.756 515.641 30.015 8.429749       36.49270 
1 1 1 4   1  23 o 284.182 15.807 218.167   23.987  199.267   28.799  260.984   43.346  270.913 19.969 308.919 26.426 -38.00638      33.12230 
1 1 1 4   1  25 o 386.441 14.485 402.377   30.011  387.475   41.608  418.536   43.327  377.683 20.627 392.562 20.659 -14.87930      29.19330 
1 1 1 4   1  27 o 464.241 14.925 582.682   37.148  548.821   51.729  618.738   53.381  448.502 21.513 476.449 20.898 -27.94714      29.99210 
1 1 1 4   1  29 o 219.408 16.190 131.918   18.910  110.893   25.563  157.325   28.101  198.207 24.584 237.495 22.332 -39.28816      33.21306 
1 1 1 4   1  31 o 205.228 20.192 118.383   21.930  102.277   26.358  154.604   39.528  187.253 27.038 226.363 33.590 -39.10997      43.12018 
1 1 1 4   1  33 o 161.315 24.740 76.827    20.714  66.829    24.382  102.765   39.271  145.865 32.052 172.751 42.656 -26.88589      53.35607 
1 1 1 4   1  35 o 99.134  30.243 31.803    17.538  53.111    22.874  1.4058    27.321  125.744 33.375 74.911  33.431 50.83297       47.23889 
1 1 1 4   1  37 o 51.610  25.396 -36.6011  24.692  -36.6011  24.692  0.0000    0.0000  51.610  25.396 ?       ?      0.000000       25.39577 
1 1 1 4   1  39 o 134.965 32.207 68.247    22.980  78.306    29.947  53.842    35.838  133.705 39.223 103.103 41.742 30.60235       57.27834 
1 1 1 4   1  41 o 186.647 30.736 131.904   29.686  136.744   41.855  127.005   42.110  155.210 46.580 145.264 47.214 9.946091       66.32391 
1 1 1 4   1  43 o 168.376 36.229 135.790   31.735  149.177   45.640  123.258   44.158  128.489 48.503 113.848 46.249 14.64105       67.01836 
1 1 1 4   2  0  o 428.665 13.126 493.378   30.166  486.281   42.658  500.477   42.665  425.216 18.712 431.398 18.447 -6.181763      26.27604 
1 1 1 4   2  2  f 472.119 19.982 600.034   50.577  626.013   71.553  574.094   71.501  480.482 27.897 459.811 29.155 20.67145       40.35154 
1 1 1 4   2  4  o 520.410 20.643 729.896   57.595  741.441   81.448  718.350   81.454  522.324 29.202 513.983 29.686 8.340820       41.64133 
1 1 1 4   2  6  o 361.071 18.902 352.448   36.464  390.068   51.608  314.943   51.529  378.627 25.573 339.373 28.587 39.25421       38.35630 
1 1 1 4   2  8  o 471.476 16.291 599.203   41.178  592.195   50.481  613.139   71.187  468.031 20.118 473.529 28.167 -5.498444      34.61406 
1 1 1 4   2  10 o 101.763 15.341 28.529    8.1100  29.228    10.025  27.205    13.796  102.391 18.961 98.204  25.850 4.186493       32.05816 
1 1 1 4   2  12 o 151.766 18.458 63.075    14.710  64.543    20.642  61.560    20.967  152.008 26.279 148.136 27.409 3.871613       37.97200 
1 1 1 4   2  14 o 92.234  16.265 23.566    7.7490  17.446    9.4796  35.891    13.452  79.160  21.693 113.265 22.940 -34.10482      31.57224 
1 1 1 4   2  16 o 321.342 15.184 277.509   26.159  264.495   45.091  284.111   32.116  311.682 27.258 324.417 18.542 -12.73535      32.96693 
1 1 1 4   2  18 o 544.381 14.648 796.225   42.750  741.774   60.285  851.307   60.633  524.759 21.428 562.331 20.112 -37.57251      29.38757 
1 1 1 4   2  20 o 250.032 13.301 168.448   17.766  164.172   24.860  172.911   25.398  246.167 18.983 252.684 18.884 -6.517624      26.77638 
1 1 1 4   2  22 o 427.435 19.741 493.001   45.240  493.001   45.240  0.0000    0.0000  427.435 19.741 ?       ?      0.000000       19.74142 
1 1 1 4   2  24 o 123.601 18.260 42.116    11.736  34.384    15.377  52.904    18.164  110.267 26.367 137.391 25.601 -27.12431      36.75069 
1 1 1 4   2  26 o 208.767 17.938 118.838   19.882  101.461   32.267  129.474   25.243  188.887 33.068 217.090 21.992 -28.20369      39.71348 
1 1 1 4   2  28 o 541.758 15.442 796.627   44.851  795.185   63.211  798.088   63.648  537.904 21.919 538.815 22.033 -0.9116821     31.07865 
1 1 1 4   2  30 o 155.147 19.124 67.380    15.570  49.219    21.440  87.648    22.649  127.983 31.467 174.935 24.848 -46.95227      40.09476 
1 1 1 4   2  32 o 166.021 40.928 91.261    36.198  91.261    36.198  0.0000    0.0000  166.021 40.928 ?       ?      0.000000       40.92838 
1 1 1 4   2  34 o 227.840 20.619 149.617   24.914  139.453   38.833  156.727   32.479  205.676 36.556 227.639 27.148 -21.96349      45.53426 
1 1 1 4   2  36 o 200.270 24.026 123.102   25.282  91.600    39.365  145.217   32.983  146.909 45.393 210.617 30.063 -63.70831      54.44567 
1 1 1 4   2  38 o 81.989  34.305 21.982    25.271  4.2886    30.485  60.857    45.186  73.265  33.713 106.276 45.236 -33.01123      56.41667 
1 1 1 4   2  40 o 70.428  31.098 11.642    23.020  36.754    32.372  -14.0462  32.741  89.574  38.211 64.671  31.237 24.90264       49.35423 
1 1 1 4   2  42 o 110.036 41.113 75.238    32.621  163.729   58.861  36.011    39.190  120.493 51.466 79.976  37.290 40.51643       63.55566 
1 1 1 4   2  44 o 57.938  28.092 4.2017    27.125  12.371    43.318  -1.0674   34.790  63.027  31.459 58.663  29.099 4.364513       42.85301 
1 1 1 4   3  1  o 434.798 16.244 508.363   37.867  509.886   46.341  505.304   65.690  435.112 19.865 431.161 28.580 3.950958       34.80575 
1 1 1 4   3  3  o 283.663 18.678 217.672   28.246  217.672   28.246  0.0000    0.0000  283.663 18.678 ?       ?      0.000000       18.67786 
1 1 1 4   3  5  o 356.220 27.122 346.234   51.408  346.234   51.408  0.0000    0.0000  356.220 27.122 ?       ?      0.000000       27.12176 
1 1 1 4   3  7  o 414.722 19.503 464.684   43.363  468.561   61.288  460.798   61.363  413.905 27.780 410.366 28.059 3.539490       39.48455 
1 1 1 4   3  9  o 391.372 15.281 412.810   32.063  382.862   55.646  427.694   39.230  373.574 27.987 397.888 18.390 -24.31418      33.48806 
1 1 1 4   3  11 f 406.965 19.077 447.351   41.624  447.351   41.624  0.0000    0.0000  406.965 19.077 ?       ?      0.000000       19.07705 
1 1 1 4   3  13 o 560.355 20.704 847.326   62.201  788.274   87.655  907.222   88.279  537.561 30.540 578.118 28.482 -40.55670      41.76032 
1 1 1 4   3  15 o 529.274 14.667 752.712   41.620  741.368   58.854  764.060   58.866  524.630 20.924 532.636 20.614 -8.006226      29.37274 
1 1 1 4   3  17 f 134.336 13.788 48.976    9.7896  43.391    13.907  54.463    13.783  125.191 21.494 141.070 18.684 -15.87881      28.47930 
1 1 1 4   3  19 o 289.650 27.253 228.855   41.823  228.855   41.823  0.0000    0.0000  289.650 27.253 ?       ?      0.000000       27.25274 
1 1 1 4   3  21 o 314.093 13.426 265.199   22.609  252.208   31.618  278.791   32.341  305.232 19.422 321.058 18.872 -15.82663      27.08107 
1 1 1 4   3  23 f 82.344  27.207 17.599    13.962  35.177    19.739  0.0000    19.751  111.942 31.541 69.960  29.846 41.98212       43.42311 
1 1 1 4   3  25 o 611.415 18.104 1010.78   59.345  951.276   101.849 1041.37   73.022  586.748 32.504 619.334 21.992 -32.58575      39.24434 
1 1 1 4   3  27 o 442.337 14.740 529.427   34.956  571.825   49.391  486.875   49.481  457.874 20.120 421.261 21.985 36.61319       29.80185 
1 1 1 4   3  29 o 90.618  27.527 23.477    14.553  43.020    24.288  12.531    18.177  119.956 35.361 78.459  30.359 41.49741       46.60566 
1 1 1 4   3  31 o 146.101 23.365 61.651    17.685  42.459    30.411  71.457    21.739  117.315 40.167 155.778 27.008 -38.46263      48.40246 
1 1 1 4   3  33 o 160.770 23.418 75.774    19.592  73.671    25.467  78.823    30.667  153.066 32.061 154.434 37.430 -1.368118      49.28369 
1 1 1 4   3  35 o 108.212 31.691 38.964    19.564  119.696   35.827  4.6595    23.354  185.958 37.234 72.554  31.701 113.4035       48.90122 
1 1 1 4   3  37 o 60.521  26.439 3.3501    16.239  -10.4956  23.754  15.498    22.250  60.825  28.577 76.784  32.163 -15.95920      43.02427 
1 1 1 4   3  39 o 109.395 37.270 51.873    26.182  40.830    32.044  74.051    45.411  95.135  39.107 110.919 46.161 -15.78404      60.49947 
1 1 1 4   3  41 o 205.054 32.648 165.557   34.689  195.230   42.275  104.405   60.689  208.987 39.170 102.865 47.420 106.1218       61.50524 
1 1 1 4   3  43 o 92.416  37.444 57.365    28.862  43.214    54.402  62.908    34.049  73.963  36.635 89.836  38.769 -15.87311      53.34025 
1 1 1 4   4  0  o 683.891 16.400 1258.70   60.133  1246.57   85.035  1270.82   85.046  679.222 23.351 685.848 23.129 -6.625671      32.86692 
1 1 1 4   4  2  o 404.013 13.304 438.788   28.818  439.956   40.757  437.621   40.751  403.982 18.818 402.903 18.866 1.078918       26.64618 
1 1 1 4   4  4  o 1056.69 23.116 3022.25   130.960 2921.47   160.314 3224.42   227.051 1036.15 28.859 1081.79 39.148 -45.64795      48.63533 
1 1 1 4   4  6  o 239.815 18.332 156.138   23.392  165.443   33.056  146.805   33.105  245.502 25.486 230.697 27.295 14.80495       37.34381 
1 1 1 4   4  8  o 262.588 18.417 187.124   25.763  206.846   36.567  167.685   36.304  274.767 25.100 246.474 27.968 28.29251       37.57990 
1 1 1 4   4  10 o 234.662 18.304 149.477   22.846  0.0000    0.0000  149.477   22.846  ?       ?      234.662 18.304 0.000000       18.30358 
1 1 1 4   4  12 o 240.920 14.681 156.670   18.872  159.712   23.253  150.799   32.301  242.842 17.988 234.574 26.128 8.268066       31.72113 
1 1 1 4   4  14 o 525.075 20.710 742.471   58.300  802.544   82.596  682.827   82.301  544.081 28.414 501.242 30.775 42.83908       41.88605 
1 1 1 4   4  16 o 381.629 13.423 391.106   27.465  398.378   38.868  383.854   38.814  384.831 18.839 377.235 19.255 7.595642       26.93813 
1 1 1 4   4  18 o 213.041 15.465 122.629   17.544  129.398   21.720  109.922   29.758  218.486 18.723 199.612 28.626 18.87370       34.20525 
1 1 1 4   4  20 o 719.205 16.677 1392.12   64.306  1434.79   90.935  1349.44   90.950  728.770 23.274 706.589 24.009 22.18115       33.43785 
1 1 1 4   4  22 o 104.329 18.820 30.252    10.139  41.363    14.370  19.235    14.309  121.713 22.861 85.286  27.504 36.42675       35.76408 
1 1 1 4   4  24 o 604.063 22.419 989.677   72.605  987.858   102.484 991.511   102.874 599.099 32.023 600.177 32.087 -1.078430      45.33268 
1 1 1 4   4  26 o 185.606 16.585 93.996    16.330  94.401    23.125  93.592    23.063  184.283 23.973 183.464 24.025 0.8191681      33.93984 
1 1 1 4   4  28 o 273.153 17.613 204.563   25.655  225.134   31.809  166.271   43.398  285.329 20.940 238.411 34.994 46.91847       40.78090 
1 1 1 4   4  30 o 349.877 14.773 334.598   27.710  389.337   39.324  280.606   39.054  374.176 19.671 315.209 23.275 58.96646       30.47405 
1 1 1 4   4  32 o 253.494 18.333 180.281   24.748  186.172   30.850  169.645   41.449  254.555 22.848 233.835 34.063 20.71951       41.01596 
1 1 1 4   4  34 o 106.622 30.180 36.429    18.031  61.267    23.844  3.2597    27.555  136.807 32.910 77.152  34.048 59.65536       47.35281 
1 1 1 4   4  36 o 76.125  29.647 16.458    17.421  24.594    26.955  10.622    22.830  88.520  36.067 74.575  31.958 13.94539       48.18827 
1 1 1 4   4  38 o 56.712  27.110 -15.9843  23.237  5.5408    28.614  -57.6736  39.822  72.681  33.150 60.717  30.283 11.96402       44.89926 
1 1 1 4   4  40 o 116.580 33.529 55.108    22.079  107.359   36.699  25.467    27.640  146.215 43.557 81.596  35.071 64.61842       55.92073 
1 1 1 4   4  42 o 62.573  30.190 -2.2384   30.374  0.0000    0.0000  -2.2384   30.374  ?       ?      62.573  30.190 0.000000       30.18974 
1 1 1 4   5  1  o 115.199 15.202 36.342    9.1598  47.041    16.201  31.316    11.105  129.726 24.184 105.935 20.292 23.79154       31.56946 
1 1 1 4   5  3  o 335.637 12.665 302.950   22.790  293.654   32.247  312.227   32.213  329.370 18.334 339.759 17.746 -10.38910      25.51603 
1 1 1 4   5  5  o 143.543 12.514 55.835    9.5345  52.817    13.596  58.755    13.375  138.615 18.778 146.574 17.357 -7.959061      25.57086 
1 1 1 4   5  7  o 242.615 26.545 161.927   33.965  0.0000    0.0000  161.927   33.965  ?       ?      242.615 26.545 0.000000       26.54511 
1 1 1 4   5  9  o 532.467 14.104 762.684   40.263  752.046   46.423  794.980   80.885  528.418 16.386 540.156 28.027 -11.73816      32.46553 
1 1 1 4   5  11 o 425.169 13.314 485.732   30.349  478.577   34.982  507.503   61.022  421.852 15.467 432.298 26.456 -10.44617      30.64571 
1 1 1 4   5  13 o 594.720 15.480 950.437   49.357  939.445   69.776  961.445   69.825  590.534 22.039 597.440 21.800 -6.906433      30.99907 
1 1 1 4   5  15 o 755.656 19.604 1536.25   79.420  1542.96   97.365  1522.90   137.288 756.624 24.002 749.613 34.160 7.010803       41.74986 
1 1 1 4   5  17 o 232.406 18.679 146.255   23.078  130.339   32.755  161.945   32.521  217.708 28.767 243.682 25.259 -25.97394      38.28291 
1 1 1 4   5  19 o 172.087 13.929 80.111    12.741  91.967    18.507  69.430    17.566  183.800 19.058 159.089 21.117 24.71141       28.44569 
1 1 1 4   5  21 o 161.001 16.846 70.569    14.326  63.970    24.489  74.002    17.663  150.536 31.361 164.325 20.495 -13.78860      37.46368 
1 1 1 4   5  23 o 314.964 14.023 267.049   23.679  257.381   32.714  277.687   34.317  307.926 19.923 319.851 20.114 -11.92557      28.31096 
1 1 1 4   5  25 o 550.740 21.769 825.395   64.276  804.432   90.480  846.752   91.327  538.509 31.476 552.850 30.936 -14.34076      44.13382 
1 1 1 4   5  27 o 359.488 21.109 355.780   40.506  378.140   57.166  333.235   57.402  366.249 29.360 342.343 31.633 23.90588       43.15828 
1 1 1 4   5  29 o 278.336 15.135 212.072   22.500  247.992   32.257  178.034   31.400  298.663 20.265 251.213 23.590 47.44942       31.09921 
1 1 1 4   5  31 o 396.361 17.356 435.309   36.881  516.307   64.394  395.768   44.992  419.111 28.833 373.174 22.594 45.93704       36.63148 
1 1 1 4   5  33 f 257.880 16.446 186.193   22.619  201.762   32.691  171.895   31.328  262.880 23.441 241.598 24.526 21.28297       33.92669 
1 1 1 4   5  35 o 91.067  32.084 27.105    19.470  7.0625    27.049  48.657    28.049  76.949  33.856 114.379 38.578 -37.42934      51.32704 
1 1 1 4   5  37 o 107.752 36.428 46.054    25.010  21.164    31.807  86.367    40.480  85.063  37.085 132.168 46.282 -47.10550      59.30722 
1 1 1 4   5  39 o 71.284  31.772 9.6225    24.593  20.440    43.417  4.5121    29.842  84.289  39.284 71.732  33.132 12.55723       51.39042 
1 1 1 4   5  41 o 57.290  27.386 -8.5451   23.711  -29.2381  62.544  -5.0717   25.624  71.001  35.763 60.441  28.775 10.55978       45.90161 
1 1 1 4   5  43 o 44.738  22.641 -49.8848  26.845  -74.2916  53.924  -41.8428  30.953  56.074  28.706 49.514  24.967 6.559792       38.04485 
1 1 1 4   6  0  o 317.343 14.997 271.188   25.516  260.722   44.033  276.479   31.309  308.499 26.892 319.549 18.352 -11.05029      32.55688 
1 1 1 4   6  2  o 505.176 20.591 689.971   55.770  0.0000    0.0000  689.971   55.770  ?       ?      505.176 20.591 0.000000       20.59142 
1 1 1 4   6  4  f 417.941 13.550 469.945   30.361  497.802   43.010  442.275   42.866  429.449 18.680 404.625 19.760 24.82419       27.19214 
1 1 1 4   6  6  o 255.760 14.526 176.561   19.836  188.053   24.289  153.547   34.374  263.615 17.281 236.204 27.668 27.41034       32.62132 
1 1 1 4   6  8  o 459.229 13.495 566.820   33.227  552.325   47.018  581.280   46.961  452.687 19.373 464.467 18.859 -11.77994      27.03649 
1 1 1 4   6  10 o 623.730 15.044 1045.57   50.307  1010.90   57.969  1151.33   101.248 613.006 17.638 652.252 28.953 -39.24597      33.90301 
1 1 1 4   6  12 o 347.786 15.174 324.930   28.294  324.930   28.294  0.0000    0.0000  347.786 15.174 ?       ?      0.000000       15.17423 
1 1 1 4   6  14 o 474.807 16.506 605.811   42.016  610.893   51.317  595.476   73.183  476.514 20.087 468.620 29.275 7.894104       35.50383 
1 1 1 4   6  16 o 958.326 22.430 2474.76   115.242 2489.07   141.234 2446.25   199.344 959.852 27.445 947.725 39.233 12.12659       47.87957 
1 1 1 4   6  18 o 101.178 19.529 28.506    10.210  27.426    17.216  29.092    12.680  99.986  29.843 101.789 23.681 -1.803108      38.09743 
1 1 1 4   6  20 o 362.259 15.901 353.209   30.882  388.933   54.644  336.444   37.433  377.740 27.164 352.607 19.883 25.13300       33.66285 
1 1 1 4   6  22 o 264.733 14.042 189.141   19.858  202.520   28.612  176.705   27.584  273.107 19.673 254.892 20.355 18.21518       28.30806 
1 1 1 4   6  24 f 215.299 16.996 126.071   19.459  119.921   24.282  137.106   32.529  208.922 22.010 222.000 27.950 -13.07852      35.57623 
1 1 1 4   6  26 o 251.872 16.897 173.130   22.684  156.408   39.115  181.604   27.845  234.028 32.015 256.974 20.378 -22.94646      37.94991 
1 1 1 4   6  28 o 151.461 18.170 63.798    14.460  53.097    20.771  73.861    20.144  134.184 29.661 161.102 24.059 -26.91791      38.19188 
1 1 1 4   6  30 o 217.907 22.367 134.890   25.761  0.0000    0.0000  134.890   25.761  ?       ?      217.907 22.367 0.000000       22.36744 
1 1 1 4   6  32 o 214.561 16.321 128.508   18.633  188.751   29.392  88.025    24.094  256.663 21.559 171.400 27.122 85.26306       34.64717 
1 1 1 4   6  34 o 76.096  28.188 16.090    15.269  45.077    26.026  0.8753    18.855  113.320 37.132 64.255  28.269 49.06525       46.66757 
1 1 1 4   6  36 o 133.248 27.587 58.454    19.059  83.596    31.103  43.337    24.117  146.324 38.956 107.017 35.773 39.30703       52.88967 
1 1 1 4   6  38 o 69.913  29.422 11.718    18.760  -3.9718   32.519  19.544    22.968  70.991  33.380 79.354  32.910 -8.362984      46.87523 
1 1 1 4   6  40 o 116.812 35.769 59.539    24.505  64.477    48.394  57.836    28.418  97.708  43.980 108.669 38.710 -10.96178      58.58870 
1 1 1 4   6  42 o 74.960  32.295 26.864    23.548  2.1842    40.889  39.111    28.803  66.456  32.697 81.659  35.448 -15.20319      48.22533 
1 1 1 4   7  1  o 747.429 16.992 1504.64   68.092  1534.47   96.313  1474.84   96.279  753.078 23.855 738.165 24.328 14.91278       34.07214 
1 1 1 4   7  3  o 457.742 13.882 563.322   34.067  596.749   48.241  530.068   48.115  470.510 19.124 443.296 20.245 27.21432       27.84920 
1 1 1 4   7  5  o 604.141 17.740 982.510   57.461  1028.44   99.902  959.806   70.242  615.646 30.267 596.456 21.966 19.19037       37.39792 
1 1 1 4   7  7  o 484.191 16.068 630.289   41.711  667.893   72.613  611.770   50.957  496.315 27.395 476.651 19.940 19.66400       33.88375 
1 1 1 4   7  9  o 592.321 16.960 942.965   53.859  977.289   66.088  875.089   92.936  602.645 20.455 568.118 30.625 34.52716       36.82813 
1 1 1 4   7  11 o 295.132 14.847 234.513   23.417  225.052   28.472  254.294   41.168  288.747 18.489 306.146 25.309 -17.39853      31.34326 
1 1 1 4   7  13 o 585.274 17.552 920.714   55.075  936.480   67.340  888.862   95.717  589.891 21.293 572.560 31.300 17.33191       37.85591 
1 1 1 4   7  15 o 471.950 14.225 598.333   35.994  608.712   41.434  566.409   72.667  475.875 16.240 456.618 29.848 19.25745       33.97983 
1 1 1 4   7  17 o 642.661 20.197 1112.89   69.588  127.336   98.208  2106.69   98.618  215.155 72.188 884.069 20.806 -668.9142      75.12695 
1 1 1 4   7  19 o 299.445 13.671 241.058   21.948  229.673   31.051  252.425   31.027  291.136 20.015 305.430 19.042 -14.29401      27.62631 
1 1 1 4   7  21 o 226.962 16.818 139.588   20.319  141.366   25.165  136.258   34.440  227.762 20.839 221.704 29.723 6.057632       36.30031 
1 1 1 4   7  23 o 169.270 18.949 78.513    16.902  84.775    21.013  67.036    28.446  175.132 22.931 152.583 35.450 22.54826       42.21985 
1 1 1 4   7  25 o 256.267 16.573 178.922   22.648  178.923   27.910  178.919   38.753  255.167 20.576 252.098 29.214 3.069336       35.73302 
1 1 1 4   7  27 o 325.697 16.728 290.421   29.111  268.059   35.236  338.512   51.672  310.873 21.269 345.316 28.156 -34.44272      35.28613 
1 1 1 4   7  29 o 232.236 15.652 148.487   19.374  143.607   27.786  153.104   27.028  224.783 23.400 232.965 21.897 -8.181580      32.04710 
1 1 1 4   7  31 o 179.862 28.033 96.664    26.151  90.767    40.349  100.935   34.339  161.614 44.939 177.195 37.325 -15.58070      58.41786 
1 1 1 4   7  33 o 272.124 18.963 211.623   27.492  254.623   35.333  145.646   43.767  294.940 22.515 203.284 41.560 91.65630       47.26701 
1 1 1 4   7  35 f 202.785 28.235 132.604   29.864  177.521   46.295  100.593   39.082  215.624 41.553 155.159 44.605 60.46516       60.96162 
1 1 1 4   7  37 o 75.827  30.434 16.678    18.873  -4.0000   45.190  21.046    20.771  80.120  38.163 81.197  32.145 -1.076775      49.89664 
1 1 1 4   7  39 o 174.849 26.435 103.479   24.007  135.240   40.390  86.128    29.853  169.173 44.086 141.827 38.343 27.34499       58.42697 
1 1 1 4   7  41 o 93.944  35.706 45.221    24.841  96.690    58.181  33.747    27.471  95.589  44.850 82.093  35.114 13.49627       56.96071 
1 1 1 4   8  0  o 162.541 15.182 71.617    13.077  70.844    16.013  73.165    22.657  161.160 18.892 162.448 26.959 -1.287857      32.91980 
1 1 1 4   8  2  o 316.147 15.040 268.566   25.492  283.214   31.374  240.109   43.730  323.977 18.136 296.809 27.805 27.16815       33.19682 
1 1 1 4   8  4  o 287.464 15.257 222.624   23.429  227.629   28.764  212.759   40.387  290.344 18.576 279.440 27.307 10.90298       33.02605 
1 1 1 4   8  6  o 114.750 13.982 35.878    8.4237  34.830    11.757  36.984    12.075  112.077 20.314 115.591 20.222 -3.513512      28.66330 
1 1 1 4   8  8  o 459.174 13.755 566.032   33.863  588.962   47.880  543.085   47.898  468.062 19.080 449.408 19.880 18.65417       27.55463 
1 1 1 4   8  10 o 233.500 12.914 146.794   16.103  136.397   22.687  157.352   22.862  224.450 19.032 241.325 17.795 -16.87482      26.05591 
1 1 1 4   8  12 o 255.539 14.690 175.956   20.041  156.302   24.037  220.775   36.298  240.369 18.802 285.275 23.954 -44.90553      30.45180 
1 1 1 4   8  14 o 519.636 16.883 726.002   47.034  709.806   57.253  759.624   82.491  513.410 20.800 529.180 29.189 -15.76929      35.84156 
1 1 1 4   8  16 o 74.532  17.830 15.551    7.0290  14.536    7.6698  20.878    17.567  72.243  19.395 90.698  30.531 -18.45486      36.17002 
1 1 1 4   8  18 o 682.079 16.298 1252.09   59.598  1222.44   68.669  1342.60   119.976 673.472 19.018 702.378 31.860 -28.90680      37.10495 
1 1 1 4   8  20 f 239.898 15.923 155.688   20.363  113.129   24.933  240.929   35.286  203.095 23.322 297.586 22.279 -94.49159      32.25277 
1 1 1 4   8  22 o 288.015 19.597 225.717   30.081  0.0000    0.0000  225.717   30.081  ?       ?      288.015 19.597 0.000000       19.59743 
1 1 1 4   8  24 o 118.680 19.631 39.351    12.054  44.140    17.788  35.285    16.392  124.016 27.476 110.785 27.678 13.23148       39.00008 
1 1 1 4   8  26 o 268.542 20.331 199.412   29.054  214.176   41.230  184.848   40.949  274.480 28.430 253.601 30.746 20.87933       41.87592 
1 1 1 4   8  28 o 243.880 15.411 163.321   20.046  200.153   29.024  129.723   27.721  267.790 20.369 213.226 24.707 54.56435       32.02031 
1 1 1 4   8  30 o 231.675 16.931 149.285   20.884  181.230   31.855  125.206   27.657  251.012 23.962 207.433 25.399 43.57939       34.91851 
1 1 1 4   8  32 o 343.641 17.860 333.170   32.791  396.058   59.545  305.796   39.285  356.896 31.441 324.224 22.744 32.67194       38.80480 
1 1 1 4   8  34 o 154.412 26.426 74.928    21.090  102.785   43.975  66.606    24.035  153.842 48.051 139.983 32.628 13.85863       58.08200 
1 1 1 4   8  36 o 71.945  31.274 8.4256    22.480  57.143    38.505  -16.7666  27.689  112.773 44.033 62.976  29.962 49.79668       53.26001 
1 1 1 4   8  38 o 132.087 35.266 68.310    25.442  49.152    36.002  87.424    35.960  101.716 41.590 135.361 43.596 -33.64468      60.25246 
1 1 1 4   8  40 o 111.583 39.516 65.097    29.573  84.532    44.166  49.302    39.815  107.618 45.209 90.711  40.429 16.90702       60.64941 
1 1 1 4   9  1  o 708.873 16.507 1349.75   62.736  1380.08   88.757  1319.48   88.686  716.099 23.118 700.137 23.627 15.96149       33.05570 
1 1 1 4   9  3  o 601.137 17.893 970.947   57.668  954.732   70.514  1003.70   100.214 595.736 22.077 609.047 30.791 -13.31116      37.88761 
1 1 1 4   9  5  o 1155.02 25.209 3592.56   156.105 3490.97   191.077 3796.47   270.698 1137.15 31.341 1182.31 42.705 -45.15442      52.97205 
1 1 1 4   9  7  o 260.013 12.853 181.451   17.917  168.515   25.273  194.521   25.404  249.673 19.024 268.483 17.749 -18.81032      26.01787 
1 1 1 4   9  9  o 370.306 15.626 368.305   31.023  367.601   53.154  368.668   38.205  368.252 27.114 369.796 19.337 -1.543854      33.30294 
1 1 1 4   9  11 o 726.425 16.229 1418.01   63.206  1375.37   89.361  1460.71   89.412  714.493 23.328 736.432 22.646 -21.93909      32.51224 
1 1 1 4   9  13 o 421.983 13.951 478.351   31.563  482.483   36.347  465.678   63.652  423.662 16.002 413.952 28.861 9.710114       33.00076 
1 1 1 4   9  15 o 575.630 17.767 891.784   54.832  884.310   66.939  907.027   95.592  572.637 21.804 577.386 30.994 -4.749512      37.89472 
1 1 1 4   9  17 o 166.097 20.428 75.515    17.807  75.515    17.807  0.0000    0.0000  166.097 20.428 ?       ?      0.000000       20.42762 
1 1 1 4   9  19 o 432.637 15.923 504.204   36.932  463.451   44.804  590.597   65.234  414.174 20.177 465.587 26.241 -51.41364      33.10154 
1 1 1 4   9  21 o 143.476 22.447 57.250    16.701  57.250    16.701  0.0000    0.0000  143.476 22.447 ?       ?      0.000000       22.44721 
1 1 1 4   9  23 o 105.506 33.146 31.182    20.891  0.0000    0.0000  31.182    20.891  ?       ?      105.506 33.146 0.000000       33.14629 
1 1 1 4   9  25 o 206.051 17.595 116.753   19.251  138.288   24.370  81.015    31.394  223.390 20.579 164.495 36.547 58.89427       41.94284 
1 1 1 4   9  27 o 309.632 14.189 261.241   23.554  301.687   34.434  225.675   32.290  329.816 19.561 284.177 21.350 45.63840       28.95568 
1 1 1 4   9  29 o 288.362 22.557 236.182   34.595  242.677   52.593  231.229   45.930  281.041 35.712 278.284 31.330 2.756439       47.50650 
1 1 1 4   9  31 o 256.286 18.948 186.139   25.851  207.042   50.749  178.814   30.041  250.291 39.098 248.190 22.833 2.101288       45.27635 
1 1 1 4   9  33 o 181.783 20.326 96.909    19.471  125.391   31.283  78.898    24.877  197.240 30.572 155.492 30.930 41.74873       43.48944 
1 1 1 4   9  35 o 174.428 23.355 93.415    21.293  62.151    35.717  110.651   26.520  120.940 43.363 185.774 27.454 -64.83389      51.32369 
1 1 1 4   9  37 o 370.005 17.746 401.634   35.202  460.370   54.589  359.823   46.058  374.043 27.413 333.814 25.939 40.22821       37.73969 
1 1 1 4   9  39 o 138.843 38.465 85.970    29.619  102.285   42.317  70.302    41.470  128.647 47.047 106.097 44.130 22.55064       64.50504 
1 1 1 4   10 0  o 615.826 17.891 1018.83   59.071  1043.42   102.600 1006.63   72.246  621.898 30.772 611.788 22.026 10.10986       37.84287 
1 1 1 4   10 2  o 1115.93 21.465 3348.86   128.425 3410.76   181.645 3287.00   181.596 1124.47 30.130 1103.75 30.688 20.71704       43.00673 
1 1 1 4   10 4  o 430.008 15.833 496.567   36.501  491.689   62.730  499.064   44.881  426.230 27.599 430.891 19.428 -4.660461      33.75130 
1 1 1 4   10 6  o 1202.85 26.045 3899.05   167.959 3959.83   290.644 3868.57   205.803 1205.91 44.955 1196.51 32.082 9.405273       55.22853 
1 1 1 4   10 8  o 194.495 16.003 102.315   16.539  104.711   19.860  96.895    29.872  196.409 19.102 186.937 30.884 9.471451       36.31436 
1 1 1 4   10 10 o 554.332 17.544 826.216   52.139  830.854   63.668  816.773   90.850  555.479 21.379 548.546 31.019 6.932983       37.67252 
1 1 1 4   10 12 o 808.713 20.160 1761.17   87.411  1721.88   106.829 1840.76   152.047 798.681 24.949 823.213 34.450 -24.53247      42.53543 
1 1 1 4   10 14 o 306.740 18.857 254.310   30.860  254.310   30.860  0.0000    0.0000  306.740 18.857 ?       ?      0.000000       18.85652 
1 1 1 4   10 16 o 660.122 18.117 1174.03   64.117  1103.17   78.240  1318.91   111.879 638.946 22.840 696.639 29.955 -57.69257      37.66920 
1 1 1 4   10 18 o 185.777 16.614 93.768    16.373  82.687    19.358  121.615   30.687  173.574 21.246 209.562 28.015 -35.98875      35.15963 
1 1 1 4   10 20 o 346.910 13.676 324.431   25.435  322.688   29.104  330.069   52.332  345.668 15.704 345.597 28.498 0.7098389E-01  32.53903 
1 1 1 4   10 22 o 401.662 15.926 437.294   34.296  437.294   34.296  0.0000    0.0000  401.662 15.926 ?       ?      0.000000       15.92618 
1 1 1 4   10 24 o 203.997 15.732 113.845   17.073  125.393   19.850  81.018    33.467  213.663 17.481 163.732 38.731 49.93042       42.49371 
1 1 1 4   10 26 o 115.134 25.468 38.658    15.304  49.056    20.125  24.404    23.565  128.546 29.785 96.693  35.146 31.85245       46.06995 
1 1 1 4   10 28 o 395.416 14.161 427.648   30.021  569.067   44.851  312.864   40.407  452.984 18.468 332.315 22.818 120.6684       29.35515 
1 1 1 4   10 30 o 165.114 20.874 78.454    18.065  70.277    29.082  83.592    23.053  146.032 37.078 167.131 26.620 -21.09898      45.64428 
1 1 1 4   10 32 o 192.052 24.504 111.231   24.656  0.0000    0.0000  111.231   24.656  ?       ?      192.052 24.504 0.000000       24.50428 
1 1 1 4   10 34 f 140.578 25.870 62.089    18.779  116.431   32.252  34.216    23.099  184.890 33.782 99.228  34.947 85.66198       48.60559 
1 1 1 4   10 36 o 116.569 36.409 52.344    25.247  58.614    35.801  46.141    35.610  114.701 43.028 104.568 41.863 10.13364       60.03261 
1 1 1 4   10 38 f 45.768  22.463 -26.5300  18.919  -30.8882  37.447  -25.0362  21.923  63.873  31.400 50.537  24.671 13.33634       39.93258 
1 1 1 4   11 1  o 304.082 15.762 249.016   25.609  271.629   43.793  237.266   31.569  316.425 26.046 296.375 19.984 20.04993       32.82934 
1 1 1 4   11 3  o 436.005 16.219 510.692   37.912  533.948   66.043  499.263   46.300  444.031 27.884 430.854 20.044 13.17648       34.34059 
1 1 1 4   11 5  o 661.974 15.910 1177.29   56.464  1175.74   79.862  1178.83   79.842  660.804 22.542 661.678 22.507 -0.8738403     31.85463 
1 1 1 4   11 7  o 337.143 13.672 305.240   24.713  307.547   34.932  302.928   34.966  337.563 19.383 334.989 19.554 2.573608       27.53294 
1 1 1 4   11 9  o 542.307 14.889 790.196   43.288  771.795   61.156  808.673   61.283  535.310 21.309 548.003 20.859 -12.69366      29.81860 
1 1 1 4   11 11 o 582.903 17.670 914.113   55.222  906.830   67.812  928.450   95.144  580.030 21.807 584.617 30.461 -4.586426      37.46190 
1 1 1 4   11 13 o 448.969 14.214 541.812   34.214  538.209   48.181  545.477   48.592  446.869 20.111 449.872 20.147 -3.002594      28.46648 
1 1 1 4   11 15 o 497.133 14.593 664.861   38.894  657.482   44.792  687.475   78.413  494.065 16.910 502.014 29.261 -7.948944      33.79569 
1 1 1 4   11 17 o 493.298 21.149 659.056   55.934  647.131   78.999  671.045   79.207  485.243 30.522 494.355 30.027 -9.111420      42.81600 
1 1 1 4   11 19 o 215.125 15.963 125.768   18.280  114.414   21.677  153.714   34.010  204.307 20.048 235.076 27.505 -30.76955      34.03613 
1 1 1 4   11 21 o 91.699  20.340 23.836    9.7381  20.426    10.844  38.038    22.134  84.884  23.177 114.922 33.722 -30.03794      40.91878 
1 1 1 4   11 23 o 286.858 16.752 224.991   25.651  265.010   32.238  155.941   42.347  310.368 19.473 230.702 35.365 79.66676       40.37167 
1 1 1 4   11 25 o 518.607 21.949 747.473   61.026  747.473   61.026  0.0000    0.0000  518.607 21.949 ?       ?      0.000000       21.94867 
1 1 1 4   11 27 o 215.032 18.193 128.774   20.778  133.286   24.170  115.998   40.672  217.473 20.991 190.371 41.056 27.10118       46.11111 
1 1 1 4   11 29 o 273.312 17.272 208.929   25.178  211.440   30.003  202.951   46.298  272.526 20.689 254.065 34.912 18.46088       40.58179 
1 1 1 4   11 31 o 167.674 24.604 84.594    21.460  85.250    25.784  83.115    38.715  163.799 30.482 147.384 44.926 16.41479       54.29149 
1 1 1 4   11 33 o 90.041  30.568 26.015    17.612  26.929    32.279  25.627    21.016  95.124  39.193 90.076  33.123 5.047218       51.31492 
1 1 1 4   11 35 o 91.613  34.106 28.785    22.410  33.865    34.860  25.207    29.257  97.369  40.477 89.705  37.169 7.664520       54.95336 
1 1 1 4   11 37 o 214.233 22.559 144.660   25.521  156.460   45.304  139.175   30.888  182.364 46.265 199.921 29.722 -17.55756      54.98931 
1 1 1 4   12 0  o 845.849 18.015 1923.49   81.698  1865.55   115.518 1981.47   115.559 831.725 25.906 857.326 25.141 -25.60156      36.09974 
1 1 1 4   12 2  o 726.669 16.782 1419.18   65.379  1399.98   92.397  1438.43   92.524  720.779 23.910 730.656 23.620 -9.876343      33.60918 
1 1 1 4   12 4  o 616.322 18.024 1021.43   59.557  1026.08   103.352 1019.12   72.872  614.992 31.451 615.144 22.096 -0.1516113     38.43697 
1 1 1 4   12 6  o 645.771 22.678 1123.74   78.516  1098.62   111.383 1148.55   110.698 635.896 32.783 651.244 31.705 -15.34808      45.60581 
1 1 1 4   12 8  o 396.822 19.761 423.945   42.042  433.812   60.395  414.668   58.560  399.520 28.381 390.605 28.152 8.915100       39.97546 
1 1 1 4   12 10 o 343.443 13.562 316.924   24.971  327.053   35.376  306.864   35.254  347.986 19.034 336.963 19.599 11.02347       27.32042 
1 1 1 4   12 12 o 428.425 16.204 493.986   37.220  469.470   63.739  506.671   45.849  414.921 28.832 433.477 19.728 -18.55618      34.93548 
1 1 1 4   12 14 o 385.630 13.779 400.133   28.487  400.311   40.241  399.953   40.333  384.499 19.586 384.316 19.641 0.1833191      27.73727 
1 1 1 4   12 16 o 300.462 15.834 244.293   25.416  260.281   30.659  209.166   45.445  309.635 18.554 274.055 31.503 35.57941       36.56078 
1 1 1 4   12 18 o 180.178 14.717 88.278    14.092  84.249    16.081  101.610   29.253  175.505 17.316 189.614 29.756 -14.10899      34.42728 
1 1 1 4   12 20 f 116.618 18.586 37.919    11.231  35.700    12.658  46.128    24.345  112.343 21.802 125.622 34.899 -13.27941      41.14893 
1 1 1 4   12 22 f 306.399 20.925 259.350   34.167  259.350   34.167  0.0000    0.0000  306.399 20.925 ?       ?      0.000000       20.92463 
1 1 1 4   12 24 o 135.853 17.928 51.466    12.739  43.145    14.704  76.500    25.505  122.610 23.219 161.182 30.635 -38.57122      38.43962 
1 1 1 4   12 26 o 119.193 24.316 41.499    15.012  41.499    15.012  0.0000    0.0000  119.193 24.316 ?       ?      0.000000       24.31624 
1 1 1 4   12 28 o 86.901  26.824 22.458    13.750  25.545    15.274  9.2708    31.571  92.086  28.247 87.250  37.490 4.835762       46.94035 
1 1 1 4   12 30 f 105.922 37.468 36.918    26.580  53.712    42.358  26.009    34.138  121.104 46.483 98.409  40.398 22.69560       61.58460 
1 1 1 4   12 32 o 88.709  27.709 24.691    14.623  24.937    16.582  23.830    31.014  89.069  29.661 93.358  38.436 -4.288879      48.54987 
1 1 1 4   12 34 o 153.455 32.843 80.590    26.204  100.215   36.636  60.032    37.496  159.715 42.165 119.266 44.173 40.44951       61.06642 
1 1 1 4   12 36 o 82.509  33.076 22.682    22.262  22.682    22.262  0.0000    0.0000  82.509  33.076 ?       ?      0.000000       33.07559 
1 1 1 4   13 1  o 640.291 22.712 1104.82   77.965  1104.82   77.965  0.0000    0.0000  640.291 22.712 ?       ?      0.000000       22.71179 
1 1 1 4   13 3  o 562.344 17.656 850.543   53.232  810.846   65.122  930.474   92.408  548.540 22.144 585.700 29.523 -37.15936      36.90479 
1 1 1 4   13 5  o 677.152 16.236 1232.91   58.942  1255.96   83.375  1209.88   83.338  682.449 22.787 669.739 23.209 12.71027       32.52611 
1 1 1 4   13 7  o 516.732 14.710 717.771   40.751  692.659   57.472  743.162   57.791  506.858 21.150 525.098 20.528 -18.24048      29.47370 
1 1 1 4   13 9  o 168.226 15.170 76.741    13.534  75.655    19.003  77.859    19.281  165.989 21.888 168.435 21.868 -2.445953      30.93956 
1 1 1 4   13 11 f 299.453 16.162 242.259   25.852  230.249   44.027  248.579   31.937  289.465 28.750 302.767 19.784 -13.30237      34.89924 
1 1 1 4   13 13 o 330.147 15.847 293.962   28.049  299.907   49.748  291.192   33.961  330.126 28.384 327.531 19.427 2.595306       34.39540 
1 1 1 4   13 15 o 390.692 16.527 412.679   34.617  359.859   61.342  437.361   41.932  359.309 32.184 401.543 19.478 -42.23471      37.61940 
1 1 1 4   13 17 o 292.134 16.571 231.969   25.847  210.484   31.762  274.093   44.475  276.893 21.566 314.362 26.639 -37.46918      34.27382 
1 1 1 4   13 19 f 307.432 19.877 259.281   32.586  259.281   32.586  0.0000    0.0000  307.432 19.877 ?       ?      0.000000       19.87665 
1 1 1 4   13 21 o 391.436 14.428 415.900   30.278  428.483   35.258  380.557   59.090  396.523 16.585 365.652 30.418 30.87146       34.64599 
1 1 1 4   13 23 o 108.769 23.152 34.119    13.086  34.191    14.659  33.837    29.039  108.276 25.647 110.327 39.148 -2.050797      46.80132 
1 1 1 4   13 25 o 117.916 24.865 40.771    15.225  37.228    17.064  54.598    33.709  111.510 28.451 130.792 42.219 -19.28201      50.91042 
1 1 1 4   13 27 o 210.555 39.637 144.990   43.103  144.990   43.103  0.0000    0.0000  210.555 39.637 ?       ?      0.000000       39.63729 
1 1 1 4   13 29 o 128.760 39.993 57.549    30.510  55.960    53.096  58.332    37.279  124.465 50.655 127.145 44.421 -2.679916      67.37334 
1 1 1 4   13 31 o 78.839  34.823 4.3063    28.886  4.3063    28.886  0.0000    0.0000  78.839  34.823 ?       ?      0.000000       34.82267 
1 1 1 4   13 33 o 171.113 21.918 87.709    19.645  90.232    22.172  78.492    42.372  171.102 24.901 133.918 47.314 37.18417       53.46639 
1 1 1 4   13 35 o 68.993  28.227 11.654    16.596  0.7570    19.110  45.076    33.469  61.993  27.792 102.926 40.786 -40.93286      49.35451 
1 1 1 4   14 0  o 433.680 16.440 505.985   38.224  543.306   65.854  487.023   46.941  447.110 27.608 425.043 20.599 22.06656       34.44551 
1 1 1 4   14 2  o 820.742 17.911 1813.79   78.815  1824.79   111.430 1802.78   111.491 821.414 25.303 816.396 25.472 5.017944       35.90373 
1 1 1 4   14 4  o 488.835 16.922 643.356   44.348  638.995   77.515  645.478   54.072  484.037 30.018 489.126 20.620 -5.089508      36.41776 
1 1 1 4   14 6  o 578.085 17.807 900.731   55.189  887.789   67.430  926.993   96.056  573.108 21.945 582.506 30.868 -9.397949      37.87371 
1 1 1 4   14 8  o 615.165 17.871 1021.02   58.941  923.508   101.334 1070.88   72.459  579.807 32.733 629.104 21.483 -49.29742      39.15304 
1 1 1 4   14 10 o 180.658 14.890 88.549    14.293  85.361    20.182  91.757    20.246  176.129 21.841 182.864 21.034 -6.735626      30.32285 
1 1 1 4   14 12 o 196.273 14.671 104.491   15.326  126.684   22.874  86.410    20.646  215.220 20.055 176.924 22.259 38.29541       29.96047 
1 1 1 4   14 14 o 125.651 25.134 44.718    16.340  53.146    21.200  32.382    25.649  136.175 29.860 109.895 36.891 26.27983       47.46148 
1 1 1 4   14 16 o 239.105 15.965 155.583   20.348  178.624   25.616  116.190   33.495  255.554 18.829 201.677 32.050 53.87720       37.17217 
1 1 1 4   14 18 o 248.675 14.377 168.060   19.085  170.148   22.043  161.808   38.147  249.669 16.561 238.416 30.547 11.25278       34.74739 
1 1 1 4   14 20 o 101.974 27.959 30.156    15.742  26.495    17.920  42.532    32.946  96.884  30.731 122.043 41.807 -25.15858      51.88683 
1 1 1 4   14 22 o 127.431 25.875 47.185    17.074  35.614    20.390  74.339    31.235  109.657 32.421 155.499 37.828 -45.84205      49.82023 
1 1 1 4   14 24 o 271.395 15.871 203.014   22.993  189.336   26.077  250.786   48.736  260.632 18.788 290.414 31.822 -29.78116      36.95493 
1 1 1 4   14 26 o 165.583 24.293 80.164    20.925  87.932    24.772  60.819    39.092  171.392 27.920 132.857 45.540 38.53520       53.41730 
1 1 1 4   14 28 o 143.114 35.255 66.740    26.874  66.740    26.874  0.0000    0.0000  143.114 35.255 ?       ?      0.000000       35.25509 
1 1 1 4   14 30 o 191.426 18.916 104.903   19.159  86.062    21.604  174.293   41.461  169.706 24.451 232.094 34.358 -62.38754      42.17002 
1 1 1 4   14 32 o 54.795  24.093 -0.2808   13.681  -7.1681   14.712  43.738    37.193  50.961  23.439 108.735 43.024 -57.77403      48.99477 
1 1 1 4   14 34 o 158.502 26.415 81.189    21.657  78.585    25.007  89.001    43.318  149.898 32.085 134.031 47.787 15.86720       57.55891 
1 1 1 4   15 1  o 531.883 21.470 765.429   61.224  0.0000    0.0000  765.429   61.224  ?       ?      531.883 21.470 0.000000       21.46998 
1 1 1 4   15 3  o 164.927 17.541 74.211    15.272  99.837    25.669  60.170    19.001  189.950 25.879 146.865 25.029 43.08562       36.00267 
1 1 1 4   15 5  o 337.797 13.734 307.234   24.873  305.192   35.176  309.275   35.175  335.342 19.651 337.613 19.516 -2.270752      27.69555 
1 1 1 4   15 7  o 366.513 13.893 361.916   27.301  352.441   38.535  371.463   38.683  360.169 20.035 369.900 19.576 -9.731323      28.01105 
1 1 1 4   15 9  o 388.706 16.563 408.310   34.517  367.519   60.430  428.062   42.052  363.821 31.285 397.326 19.741 -33.50467      36.99294 
1 1 1 4   15 11 o 147.043 20.385 59.841    15.638  73.721    19.289  33.221    26.713  162.941 22.697 111.593 37.648 51.34806       43.96067 
1 1 1 4   15 13 o 120.852 28.333 41.922    18.038  41.922    18.038  0.0000    0.0000  120.852 28.333 ?       ?      0.000000       28.33254 
1 1 1 4   15 15 o 80.185  25.077 17.648    11.973  22.698    14.029  4.1098    22.970  89.938  26.962 77.682  32.616 12.25552       42.31761 
1 1 1 4   15 17 o 223.785 14.668 136.333   17.501  144.445   25.091  128.648   24.423  228.686 20.688 215.486 21.424 13.19998       29.78260 
1 1 1 4   15 19 o 384.282 17.271 403.379   35.582  380.668   43.106  451.943   63.034  370.693 21.786 398.634 29.707 -27.94122      36.83923 
1 1 1 4   15 21 o 153.492 31.986 70.372    25.468  47.544    34.116  99.103    38.275  125.409 42.545 177.804 40.991 -52.39503      59.07915 
1 1 1 4   15 23 f 115.914 28.457 40.367    17.555  35.236    20.125  56.690    35.895  107.788 32.289 132.222 43.621 -24.43443      54.27094 
1 1 1 4   15 25 o 108.831 33.598 36.756    21.570  36.756    21.570  0.0000    0.0000  108.831 33.598 ?       ?      0.000000       33.59772 
1 1 1 4   15 27 o 153.090 23.758 68.742    18.868  84.938    21.312  10.026    40.578  170.309 24.006 95.048  41.651 75.26090       48.07381 
1 1 1 4   15 29 o 201.136 19.726 116.033   20.998  120.466   23.756  100.196   44.898  203.284 22.155 161.191 48.214 42.09346       53.06043 
1 1 1 4   15 31 o 98.500  36.018 32.294    24.801  32.294    24.801  0.0000    0.0000  98.500  36.018 ?       ?      0.000000       36.01789 
1 1 1 4   15 33 o 85.879  30.379 24.587    17.473  16.324    19.451  59.130    39.771  76.785  30.869 114.125 44.698 -37.33997      54.32143 
1 1 1 4   16 0  o 477.140 14.674 613.786   37.538  598.371   52.841  629.490   53.335  469.712 20.983 481.861 20.645 -12.14859      29.43669 
1 1 1 4   16 2  o 352.091 14.058 334.122   26.536  339.795   37.739  328.574   37.321  353.547 19.992 347.613 20.112 5.934265       28.35757 
1 1 1 4   16 4  o 433.483 20.288 509.719   47.150  0.0000    0.0000  509.719   47.150  ?       ?      433.483 20.288 0.000000       20.28800 
1 1 1 4   16 6  o 265.616 14.146 190.834   20.072  170.796   28.377  210.898   28.396  249.765 21.398 278.267 19.150 -28.50223      28.71599 
1 1 1 4   16 8  o 450.833 16.837 550.109   40.697  555.034   50.022  540.467   69.991  451.758 20.653 441.503 29.742 10.25494       36.20971 
1 1 1 4   16 10 o 217.748 20.645 130.244   23.813  119.947   32.422  142.303   35.088  206.047 30.251 224.893 29.838 -18.84639      42.49009 
1 1 1 4   16 12 o 243.330 16.432 161.233   21.311  190.008   36.494  146.344   26.251  261.198 26.424 230.472 21.493 30.72609       34.06145 
1 1 1 4   16 14 o 116.007 19.393 37.663    11.636  35.801    17.201  39.233    15.800  111.314 28.653 116.950 25.884 -5.635521      38.61261 
1 1 1 4   16 16 o 98.203  24.248 27.730    12.690  29.755    21.895  26.706    15.572  103.354 34.067 96.597  28.268 6.756767       44.26792 
1 1 1 4   16 18 o 142.601 29.821 59.693    22.066  59.979    32.344  59.443    30.179  139.711 40.699 139.447 38.897 0.2639313      56.29709 
1 1 1 4   16 20 o 303.343 15.428 252.258   25.008  249.143   28.969  261.371   49.546  300.223 18.082 298.766 31.402 1.456909       36.23558 
1 1 1 4   16 22 o 69.296  26.896 9.8114    14.300  7.4601    16.124  18.479    30.957  69.057  27.984 95.605  38.764 -26.54822      47.80978 
1 1 1 4   16 24 o 130.624 30.068 51.951    20.621  62.506    24.058  22.725    40.033  142.429 32.255 104.516 43.406 37.91269       54.07844 
1 1 1 4   16 26 f 64.372  26.455 5.8458    14.660  -0.7310   16.550  29.813    31.593  60.953  26.658 103.454 40.027 -42.50099      48.09115 
1 1 1 4   16 28 o 160.215 31.557 81.071    26.142  81.071    26.142  0.0000    0.0000  160.215 31.557 ?       ?      0.000000       31.55708 
1 1 1 4   16 30 o 141.814 29.139 64.289    21.414  48.344    25.470  102.731   39.548  117.234 36.562 163.578 44.094 -46.34406      57.27990 
1 1 1 4   17 1  o 350.326 14.072 331.120   26.430  332.893   37.468  329.364   37.289  349.548 20.077 347.681 20.090 1.867096       28.40281 
1 1 1 4   17 3  o 343.065 20.037 320.816   36.694  354.618   54.020  291.859   49.999  357.845 28.390 324.179 29.077 33.66583       40.63829 
1 1 1 4   17 5  o 471.812 16.925 602.794   42.812  619.221   75.277  594.941   52.049  472.344 29.880 467.542 20.764 4.802277       36.38636 
1 1 1 4   17 7  o 181.451 15.298 89.655    14.743  84.658    20.908  94.598    20.792  174.589 22.889 185.104 21.342 -10.51489      31.29519 
1 1 1 4   17 9  o 431.974 16.918 506.126   39.182  509.187   68.715  504.652   47.696  426.907 30.218 430.103 20.684 -3.195709      36.61892 
1 1 1 4   17 11 o 278.854 15.982 211.570   23.793  206.560   40.077  214.296   29.568  271.468 27.935 279.541 19.858 -8.073059      34.27417 
1 1 1 4   17 13 o 543.510 21.282 810.889   62.015  0.0000    0.0000  810.889   62.015  ?       ?      543.510 21.282 0.000000       21.28223 
1 1 1 4   17 15 o 188.585 15.466 97.392    15.499  109.893   23.056  87.083    20.936  198.344 22.055 176.089 22.705 22.25467       31.65357 
1 1 1 4   17 17 o 88.239  23.536 22.493    11.339  14.819    16.965  28.690    15.246  79.690  29.673 99.108  27.647 -19.41759      40.55660 
1 1 1 4   17 19 o 130.907 30.339 51.252    20.876  51.252    20.876  0.0000    0.0000  130.907 30.339 ?       ?      0.000000       30.33853 
1 1 1 4   17 21 o 202.859 17.917 114.408   19.286  115.304   22.300  111.752   38.413  202.400 20.849 188.602 39.266 13.79871       44.45754 
1 1 1 4   17 23 o 114.949 29.918 40.121    18.616  45.962    21.083  19.450    39.660  122.351 31.835 102.613 42.958 19.73849       53.46864 
1 1 1 4   17 25 o 270.557 18.420 205.288   26.559  213.827   30.335  177.249   54.972  274.534 20.763 226.247 46.861 48.28795       51.25526 
1 1 1 4   17 27 o 166.183 27.282 83.819    23.463  78.575    27.297  98.656    45.915  156.237 33.587 160.022 48.955 -3.784393      59.36924 
1 1 1 4   17 29 o 213.981 48.340 180.767   54.149  180.767   54.149  0.0000    0.0000  213.981 48.340 ?       ?      0.000000       48.34035 
1 1 1 4   18 0  o 188.958 15.863 97.280    15.922  93.986    22.543  100.558   22.490  183.981 23.383 190.648 22.432 -6.666733      32.40292 
1 1 1 4   18 2  o 254.327 14.316 175.304   19.441  179.213   28.100  171.715   26.925  255.664 20.678 250.344 20.234 5.319687       28.93049 
1 1 1 4   18 4  o 433.358 16.923 509.258   39.319  518.651   47.986  490.067   68.588  436.163 20.521 418.624 30.776 17.53903       36.98985 
1 1 1 4   18 6  o 33.708  16.144 -11.6112  8.3264  -5.1406   8.9432  -53.7275  22.816  41.157  18.679 47.296  23.478 -6.138611      30.00224 
1 1 1 4   18 8  o 188.008 18.062 97.060    17.982  81.341    28.281  107.727   23.297  167.482 32.669 196.940 22.467 -29.45796      39.64853 
1 1 1 4   18 10 f 147.513 19.400 60.458    14.970  55.595    23.600  63.732    19.365  137.609 32.506 149.902 24.975 -12.29301      40.99266 
1 1 1 4   18 12 o 53.513  21.640 3.6526    9.6205  24.654    16.907  -6.4029   11.699  93.765  29.861 47.049  21.357 46.71688       36.71284 
1 1 1 4   18 14 o 91.294  28.419 23.647    15.396  41.556    35.610  19.530    17.075  121.430 43.324 86.268  30.067 35.16142       52.73506 
1 1 1 4   18 16 o 133.583 27.903 52.235    19.339  56.576    33.312  50.028    23.751  135.305 41.750 128.846 33.919 6.459183       53.79128 
1 1 1 4   18 18 o 113.190 26.190 37.546    15.578  40.456    32.842  36.701    17.695  118.044 41.660 111.223 29.275 6.820831       50.91784 
1 1 1 4   18 20 o 110.519 41.861 32.671    34.070  0.0000    0.0000  32.671    34.070  ?       ?      110.519 41.861 0.000000       41.86118 
1 1 1 4   18 22 o 88.131  32.957 19.666    20.971  -19.5430  28.383  66.807    31.122  68.080  31.741 144.128 39.227 -76.04777      50.45980 
1 1 1 4   18 24 o 94.377  36.258 23.341    25.787  -26.8581  42.314  53.001    32.525  80.470  37.910 126.285 41.516 -45.81482      56.22065 
1 1 1 4   18 26 o 74.080  36.056 -52.5364  45.835  -52.5364  45.835  0.0000    0.0000  74.080  36.056 ?       ?      0.000000       36.05582 
1 1 1 4   19 1  o 196.128 18.049 105.547   18.766  137.521   33.846  91.356    22.549  220.339 29.384 180.753 23.851 39.58548       37.84562 
1 1 1 4   19 3  o 236.803 16.725 153.108   21.097  139.338   35.675  160.514   26.163  221.020 30.955 241.438 20.403 -20.41844      37.07458 
1 1 1 4   19 5  o 200.627 17.561 110.413   18.699  117.435   30.859  106.338   23.506  203.096 29.178 195.323 22.880 7.772659       37.07931 
1 1 1 4   19 7  o 145.731 25.112 60.393    18.912  60.393    18.912  0.0000    0.0000  145.731 25.112 ?       ?      0.000000       25.11248 
1 1 1 4   19 9  o 326.831 17.831 292.505   31.127  295.232   37.349  286.304   56.322  326.840 21.433 314.914 33.893 11.92615       40.10088 
1 1 1 4   19 11 o 273.256 15.010 203.559   21.905  242.020   32.431  171.293   29.705  295.933 20.569 247.937 22.595 47.99620       30.55512 
1 1 1 4   19 13 o 231.605 18.450 147.879   22.720  161.341   28.801  125.696   36.970  240.362 22.615 206.378 34.640 33.98383       41.36918 
1 1 1 4   19 15 o 215.895 16.204 127.940   18.619  168.370   26.830  90.384    25.859  246.204 20.513 176.887 28.216 69.31728       34.88403 
1 1 1 4   19 17 o 141.317 20.080 56.203    14.786  75.012    22.308  41.467    19.746  161.035 26.779 117.899 30.873 43.13615       40.86931 
1 1 1 4   19 19 f 175.051 20.605 86.277    18.968  75.660    32.182  91.929    23.480  155.111 38.797 178.741 25.201 -23.63029      46.26382 
1 1 1 4   19 21 o 94.983  30.989 26.438    18.134  27.666    21.078  22.940    35.579  97.690  33.440 102.115 41.502 -4.425545      53.29768 
1 1 1 4   19 23 o 185.069 30.376 104.257   29.093  104.257   29.093  0.0000    0.0000  185.069 30.376 ?       ?      0.000000       30.37554 
1 1 1 4   20 0  o 227.481 15.390 141.038   18.659  129.508   25.894  153.492   26.911  215.835 22.718 235.557 21.547 -19.72148      31.31156 
1 1 1 4   20 2  o 108.198 31.822 33.752    19.690  51.908    30.153  20.255    25.998  132.383 39.492 95.932  36.512 36.45176       53.78444 
1 1 1 4   20 4  o 302.312 14.586 247.783   23.641  251.256   33.658  244.402   33.214  301.963 20.920 297.791 20.937 4.172028       29.59677 
1 1 1 4   20 6  o 117.563 21.514 39.093    13.061  39.822    18.250  38.328    18.699  116.958 29.195 114.674 30.052 2.283752       41.89840 
1 1 1 4   20 8  o 78.331  27.322 15.615    14.101  18.899    17.757  10.008    23.201  86.420  30.619 82.727  33.553 3.692924       45.42356 
1 1 1 4   20 10 o 183.050 19.980 92.976    19.290  61.922    33.308  108.648   23.662  142.718 41.222 197.078 22.816 -54.35947      47.11491 
1 1 1 4   20 12 o 195.799 19.411 106.218   20.108  115.148   33.723  101.291   25.048  198.359 32.861 189.034 25.354 9.325073       41.50476 
1 1 1 4   20 14 o 100.394 31.037 29.124    18.400  33.952    22.310  18.854    32.537  108.028 34.291 99.403  39.938 8.625046       52.63973 
1 1 1 4   20 16 o 268.256 23.591 202.851   33.584  219.851   45.557  182.615   49.704  274.251 31.559 244.345 39.272 29.90550       50.38121 
1 1 1 4   20 18 o 82.126  32.277 13.900    20.800  -2.6188   26.091  42.707    34.455  74.988  33.110 119.438 42.615 -44.45078      53.96582 
1 1 1 4   20 20 o 208.823 36.306 136.003   39.171  136.003   39.171  0.0000    0.0000  208.823 36.306 ?       ?      0.000000       36.30564 
1 1 1 4   21 1  o 227.506 16.546 141.435   20.043  134.131   29.485  147.710   27.328  218.642 25.640 230.755 22.371 -12.11276      34.02772 
1 1 1 4   21 3  o 117.142 24.824 39.325    15.106  39.476    18.339  39.007    26.642  116.499 29.370 116.732 37.517 -0.2334900     47.64592 
1 1 1 4   21 5  o 169.746 21.108 80.255    18.795  79.797    24.064  80.970    30.095  167.034 27.852 165.586 34.996 1.447739       44.72630 
1 1 1 4   21 7  f 73.638  28.286 10.867    15.692  33.195    26.628  -1.0137   19.424  109.691 37.585 67.347  29.172 42.34383       47.57826 
1 1 1 4   21 9  o 174.631 18.697 84.414    17.233  87.739    25.177  81.482    23.638  174.919 27.775 168.722 27.045 6.197327       38.76733 
1 1 1 4   21 11 o 159.533 21.179 71.407    17.667  89.765    25.243  53.781    24.735  176.722 27.540 133.900 34.302 42.82214       43.98926 
1 1 1 4   21 13 o 179.885 21.551 90.916    20.371  81.227    33.824  96.430    25.518  161.971 39.342 183.160 26.777 -21.18925      47.58958 
1 1 1 4   21 15 o 183.157 21.127 94.442    20.365  99.804    34.926  91.680    25.068  179.938 37.423 177.751 27.167 2.187225       46.24461 
1 1 1 4   22 0  o 223.307 16.965 136.620   20.159  174.521   30.139  105.933   27.119  250.553 22.682 193.206 26.911 57.34729       35.19510 
1 1 1 4   22 2  o 144.415 25.333 59.507    18.899  53.511    23.312  71.003    32.281  134.632 32.636 153.186 39.156 -18.55463      50.97362 
1 1 1 4   22 4  o 75.054  26.455 14.117    13.240  -4.7717   19.485  30.319    18.046  64.371  28.508 102.521 30.544 -38.14961      41.78077 
1 1 1 4   22 6  o 337.951 15.202 310.683   27.544  305.879   39.134  315.398   38.773  331.979 22.114 337.416 21.546 -5.436951      30.87485 
1 1 1 4   22 8  o 172.872 29.064 86.625    25.981  0.0000    0.0000  86.625    25.981  ?       ?      172.872 29.064 0.000000       29.06355 
1 1 1 4   22 10 f 129.691 25.209 48.637    16.897  60.783    31.013  43.510    20.150  140.215 39.544 120.894 30.955 19.32117       50.21886 
1 1 1 5   0  1  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 5   0  3  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 5   0  5  o 328.822 26.957 297.382   46.788  297.382   46.788  297.382   46.788  328.822 26.957 328.822 26.957 0.000000       0.000000 
1 1 1 5   0  7  o 99.425  21.735 30.097    10.146  30.097    10.146  30.097    10.146  99.425  21.735 99.425  21.735 0.000000       0.000000 
1 1 1 5   0  9  o 277.710 18.516 210.240   27.287  210.240   27.287  210.240   27.287  277.710 18.516 277.710 18.516 0.000000       0.000000 
1 1 1 5   0  11 o 73.855  24.024 18.664    8.4176  18.664    8.4176  18.664    8.4176  73.855  24.024 73.855  24.024 0.000000       0.000000 
1 1 1 5   0  13 o 301.138 26.874 249.932   42.593  249.932   42.593  249.932   42.593  301.138 26.874 301.138 26.874 0.000000       0.000000 
1 1 1 5   0  15 o 233.329 18.778 148.987   23.141  148.987   23.141  148.987   23.141  233.329 18.778 233.329 18.778 0.000000       0.000000 
1 1 1 5   0  17 o 1577.63 39.577 6727.85   334.269 6727.85   334.269 6727.85   334.269 1577.63 39.577 1577.63 39.577 0.000000       0.000000 
1 1 1 5   0  19 f 735.970 34.070 1469.37   133.775 1469.37   133.775 1469.37   133.775 735.970 34.070 735.970 34.070 0.000000       0.000000 
1 1 1 5   0  21 o 404.875 19.766 443.554   42.672  443.554   42.672  443.554   42.672  404.875 19.766 404.875 19.766 0.000000       0.000000 
1 1 1 5   0  23 o 338.630 19.560 311.256   35.239  311.256   35.239  311.256   35.239  338.630 19.560 338.630 19.560 0.000000       0.000000 
1 1 1 5   0  25 o 203.733 34.897 121.616   34.760  121.616   34.760  121.616   34.760  203.733 34.897 203.733 34.897 0.000000       0.000000 
1 1 1 5   0  27 o 263.241 20.803 190.319   28.938  190.319   28.938  190.319   28.938  263.241 20.803 263.241 20.803 0.000000       0.000000 
1 1 1 5   0  29 o 298.163 31.122 250.581   48.509  250.581   48.509  250.581   48.509  298.163 31.122 298.163 31.122 0.000000       0.000000 
1 1 1 5   0  31 o 72.944  40.030 21.067    22.519  21.067    22.519  21.067    22.519  72.944  40.030 72.944  40.030 0.000000       0.000000 
1 1 1 5   0  33 o 163.652 52.903 96.480    41.016  96.480    41.016  96.480    41.016  163.652 52.903 163.652 52.903 0.000000       0.000000 
1 1 1 5   0  35 o 461.232 33.813 607.692   82.581  607.692   82.581  607.692   82.581  461.232 33.813 461.232 33.813 0.000000       0.000000 
1 1 1 5   0  37 o 73.826  43.268 21.323    28.765  21.323    28.765  21.323    28.765  73.826  43.268 73.826  43.268 0.000000       0.000000 
1 1 1 5   0  39 o 82.830  50.351 26.415    41.759  26.415    41.759  26.415    41.759  82.830  50.351 82.830  50.351 0.000000       0.000000 
1 1 1 5   0  41 o 195.351 66.981 159.497   63.044  159.497   63.044  159.497   63.044  195.351 66.981 195.351 66.981 0.000000       0.000000 
1 1 1 5   0  43 f 92.948  54.679 44.308    46.248  44.308    46.248  44.308    46.248  92.948  54.679 92.948  54.679 0.000000       0.000000 
1 1 1 5   1  0  o 383.047 14.622 394.324   30.028  437.699   52.091  372.738   36.747  401.947 24.287 372.137 18.418 29.80939       30.48100 
1 1 1 5   1  2  o 451.602 13.851 548.112   33.536  549.423   67.133  547.677   38.712  449.521 27.995 451.228 16.002 -1.707001      32.24558 
1 1 1 5   1  4  o 936.516 27.269 2379.41   136.918 2379.41   136.918 0.0000    0.0000  936.516 27.269 ?       ?      0.000000       27.26937 
1 1 1 5   1  6  o 576.739 15.029 895.700   46.472  927.001   65.730  864.415   65.713  585.488 20.940 565.200 21.686 20.28851       30.14556 
1 1 1 5   1  8  o 290.559 14.968 228.072   23.238  226.890   40.174  228.666   28.487  287.496 26.357 290.370 18.394 -2.874359      32.14107 
1 1 1 5   1  10 o 171.905 14.740 80.178    13.453  76.358    16.416  87.991    23.478  167.116 18.640 178.216 25.280 -11.10008      31.40931 
1 1 1 5   1  12 o 574.820 17.316 890.271   53.365  916.508   65.405  838.020   92.300  582.543 20.942 553.698 31.220 28.84534       37.59304 
1 1 1 5   1  14 o 555.913 14.899 830.626   44.406  825.450   62.766  835.813   62.834  553.434 21.154 556.913 21.045 -3.478455      29.83877 
1 1 1 5   1  16 o 597.126 17.747 958.893   56.815  945.818   98.416  965.429   69.580  590.261 31.210 598.685 21.678 -8.423950      38.00003 
1 1 1 5   1  18 o 840.256 20.537 1901.68   92.517  1644.89   159.963 2030.76   113.410 776.863 38.406 867.458 24.385 -90.59442      45.49395 
1 1 1 5   1  20 o 1168.18 22.142 3684.45   138.673 3648.89   196.073 3720.04   196.153 1158.27 31.575 1169.67 31.280 -11.39453      44.44508 
1 1 1 5   1  22 o 305.275 13.520 250.662   22.128  263.441   31.117  237.588   31.475  311.932 18.693 295.963 19.953 15.96829       27.34082 
1 1 1 5   1  24 o 258.439 14.058 180.420   19.405  161.350   26.844  201.289   28.083  243.214 20.787 272.127 19.375 -28.91251      28.41617 
1 1 1 5   1  26 o 98.878  26.502 27.825    14.335  22.615    23.444  30.936    18.116  96.962  35.085 104.490 30.465 -7.527740      46.46589 
1 1 1 5   1  28 o 496.819 17.478 674.364   46.554  699.784   80.866  661.763   56.935  495.799 30.571 489.673 21.687 6.125946       37.48240 
1 1 1 5   1  30 o 153.473 20.134 66.520    16.167  56.619    23.145  75.953    22.592  136.434 32.167 161.085 27.123 -24.65172      42.07544 
1 1 1 5   1  32 o 306.495 22.083 268.978   36.044  0.0000    0.0000  268.978   36.044  ?       ?      306.495 22.083 0.000000       22.08274 
1 1 1 5   1  34 o 171.710 33.582 96.723    29.808  96.723    29.808  0.0000    0.0000  171.710 33.582 ?       ?      0.000000       33.58184 
1 1 1 5   1  36 o 122.819 32.629 53.705    21.850  55.986    47.764  53.101    24.571  109.404 46.536 118.808 35.697 -9.404968      58.65059 
1 1 1 5   1  38 o 93.410  36.587 36.090    26.647  0.0000    0.0000  36.090    26.647  ?       ?      93.410  36.587 0.000000       36.58693 
1 1 1 5   1  40 o 157.826 31.538 94.950    25.753  122.701   34.132  58.271    39.240  166.587 38.919 98.488  42.043 68.09869       57.29160 
1 1 1 5   1  42 o 204.262 42.244 222.269   44.735  161.279   55.883  331.086   74.644  116.367 49.937 154.924 61.062 -38.55708      78.88123 
1 1 1 5   2  1  o 293.415 12.565 231.301   19.766  214.883   27.950  247.727   27.957  281.830 18.603 302.866 17.289 -21.03580      25.39608 
1 1 1 5   2  3  o 822.619 17.707 1823.24   78.092  1846.91   156.360 1815.37   90.138  821.686 35.493 820.136 20.500 1.549805       40.98821 
1 1 1 5   2  5  o 757.396 16.834 1546.18   68.356  1485.80   96.661  1606.58   96.680  740.260 24.355 770.090 23.417 -29.82965      33.78641 
1 1 1 5   2  7  o 216.352 15.016 126.702   17.310  127.469   21.247  125.188   29.850  216.471 18.484 212.828 26.752 3.643616       32.51643 
1 1 1 5   2  9  o 415.567 15.656 465.512   34.882  453.948   60.293  471.329   42.765  407.065 27.793 417.592 19.102 -10.52744      33.72416 
1 1 1 5   2  11 o 272.689 12.959 199.944   18.946  189.113   26.786  210.789   26.802  264.060 19.048 279.019 18.013 -14.95877      26.21675 
1 1 1 5   2  13 o 625.073 15.750 1050.80   52.781  1027.66   74.664  1073.92   74.622  617.091 22.568 630.922 22.061 -13.83118      31.55940 
1 1 1 5   2  15 o 315.884 15.200 268.117   25.743  260.945   44.410  271.747   31.592  309.689 27.018 317.282 18.654 -7.592743      32.83228 
1 1 1 5   2  17 o 321.811 15.419 278.309   26.603  292.669   46.482  271.314   32.442  328.138 26.652 316.951 19.182 11.18787       32.83716 
1 1 1 5   2  19 o 497.618 14.373 665.609   38.346  625.077   54.207  706.205   54.250  481.484 20.999 511.946 19.765 -30.46216      28.83820 
1 1 1 5   2  21 f 571.771 17.187 880.719   52.686  831.969   64.347  979.870   91.768  554.921 21.628 600.504 28.504 -45.58356      35.78080 
1 1 1 5   2  23 o 401.539 16.011 434.555   34.469  404.367   41.941  497.375   60.501  386.183 20.329 426.783 26.573 -40.59906      33.45732 
1 1 1 5   2  25 o 295.428 14.134 235.387   22.387  225.935   30.930  245.787   32.444  287.857 20.169 300.268 20.272 -12.41098      28.59626 
1 1 1 5   2  27 o 520.509 17.306 737.371   48.295  747.216   84.331  732.567   58.912  514.947 30.685 516.832 21.261 -1.885620      37.33099 
1 1 1 5   2  29 o 324.961 14.858 288.085   25.886  287.129   36.842  289.016   36.378  320.720 21.551 321.986 21.192 -1.265900      30.22507 
1 1 1 5   2  31 o 283.106 15.575 221.379   23.550  217.013   33.424  225.683   33.186  275.714 22.816 281.682 22.154 -5.968292      31.80218 
1 1 1 5   2  33 o 197.025 20.587 111.794   21.425  121.663   27.431  96.354    34.310  201.684 25.972 168.775 38.738 32.90820       46.63889 
1 1 1 5   2  35 o 409.107 15.912 473.992   34.901  504.381   49.359  443.606   49.357  410.787 22.497 382.093 24.219 28.69479       33.05595 
1 1 1 5   2  37 o 114.836 42.147 61.380    34.005  0.0000    0.0000  61.380    34.005  ?       ?      114.836 42.147 0.000000       42.14737 
1 1 1 5   2  39 o 55.104  26.052 -9.7609   20.309  -24.7649  34.661  -1.9177   25.061  63.235  30.903 64.193  29.894 -0.9585953     42.99551 
1 1 1 5   2  41 o 98.958  40.634 62.118    34.549  62.118    34.549  0.0000    0.0000  98.958  40.634 ?       ?      0.000000       40.63407 
1 1 1 5   2  43 o 62.043  28.973 12.902    23.800  -14.4514  34.743  37.087    32.669  56.747  28.300 73.047  34.055 -16.30013      44.27903 
1 1 1 5   3  0  o 642.374 22.139 1114.65   76.247  1114.65   76.247  0.0000    0.0000  642.374 22.139 ?       ?      0.000000       22.13920 
1 1 1 5   3  2  o 484.225 16.511 631.466   42.864  618.439   52.545  657.381   74.111  478.609 20.478 491.092 28.267 -12.48315      34.90520 
1 1 1 5   3  4  o 557.331 21.210 840.057   63.376  816.931   89.631  863.177   89.622  546.154 30.736 561.775 29.864 -15.62085      42.85467 
1 1 1 5   3  6  o 544.147 21.049 801.436   61.407  815.973   86.870  786.918   86.814  545.667 29.807 535.619 30.357 10.04773       42.54393 
1 1 1 5   3  8  o 365.799 27.393 366.600   53.332  366.600   53.332  0.0000    0.0000  365.799 27.393 ?       ?      0.000000       27.39284 
1 1 1 5   3  10 o 434.214 13.901 507.213   32.361  477.159   45.775  537.242   45.757  420.309 20.314 446.177 19.128 -25.86829      27.90235 
1 1 1 5   3  12 o 991.842 23.645 2657.13   125.733 2600.44   217.649 2685.53   154.036 973.487 41.702 995.290 28.867 -21.80255      50.71835 
1 1 1 5   3  14 o 548.497 16.973 808.890   49.913  802.385   61.081  821.962   86.592  545.870 20.871 550.496 29.446 -4.625977      36.09277 
1 1 1 5   3  16 o 321.478 13.338 277.535   22.989  277.418   32.546  277.651   32.477  320.558 19.023 320.698 18.973 -0.1403198     26.86721 
1 1 1 5   3  18 o 348.053 15.150 325.639   28.270  305.204   34.343  368.591   49.790  336.141 19.136 368.527 25.354 -32.38660      31.76493 
1 1 1 5   3  20 o 710.329 16.233 1358.07   61.820  1232.66   87.314  1484.14   87.541  675.086 24.124 741.304 22.026 -66.21887      32.66705 
1 1 1 5   3  22 o 140.064 15.687 53.488    11.577  44.125    16.167  63.344    16.587  125.411 24.923 151.687 20.955 -26.27606      32.56233 
1 1 1 5   3  24 f 202.003 20.565 111.692   21.961  86.779    29.306  143.600   33.167  174.953 32.439 227.599 27.756 -52.64580      42.69262 
1 1 1 5   3  26 o 339.775 13.964 312.020   25.437  297.997   35.625  326.607   36.333  329.987 20.234 345.704 19.685 -15.71674      28.22956 
1 1 1 5   3  28 o 437.826 17.042 524.079   40.003  566.451   68.956  502.585   49.111  446.254 28.978 425.762 21.586 20.49200       36.13436 
1 1 1 5   3  30 o 318.087 17.409 280.111   29.576  280.325   35.700  279.643   52.811  315.810 21.208 306.023 32.694 9.787262       38.97052 
1 1 1 5   3  32 o 136.430 21.108 53.883    14.941  63.512    20.763  43.544    21.516  144.774 27.760 117.067 32.910 27.70770       43.05457 
1 1 1 5   3  34 o 246.191 19.098 174.443   25.011  175.417   30.843  172.571   42.742  242.122 24.079 226.051 36.512 16.07172       43.73706 
1 1 1 5   3  36 o 110.769 29.941 42.475    18.205  22.245    26.851  59.688    24.768  85.248  35.488 126.305 35.240 -41.05698      50.01249 
1 1 1 5   3  38 o 74.255  31.243 15.502    21.149  13.617    37.621  16.373    25.572  80.641  37.231 77.119  33.439 3.521545       50.04291 
1 1 1 5   3  40 o 195.516 41.102 175.048   41.717  235.369   60.779  121.318   57.363  183.084 56.377 115.971 50.184 67.11256       75.47723 
1 1 1 5   3  42 o 275.207 26.696 287.374   38.894  303.621   51.777  266.334   58.923  238.918 41.952 172.561 55.830 66.35727       69.83556 
1 1 1 5   4  1  o 389.402 13.552 407.917   28.293  418.512   40.023  397.333   40.001  393.762 18.959 383.101 19.541 10.66132       27.22617 
1 1 1 5   4  3  o 667.594 16.238 1201.18   58.120  1194.33   82.196  1208.02   82.193  663.867 23.094 667.703 22.961 -3.836304      32.56557 
1 1 1 5   4  5  o 580.795 21.585 913.373   67.212  907.980   95.094  918.757   95.010  575.274 30.946 578.780 30.728 -3.506409      43.61088 
1 1 1 5   4  7  o 303.232 18.604 249.188   30.099  266.878   42.764  231.820   42.372  312.340 25.768 290.533 27.532 21.80725       37.70904 
1 1 1 5   4  9  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 5   4  11 o 1124.30 24.517 3415.02   147.781 3435.91   180.912 3373.14   256.194 1125.56 29.980 1108.40 43.112 17.16553       52.51156 
1 1 1 5   4  13 o 502.716 16.784 679.405   45.236  640.545   78.111  699.015   55.489  485.676 30.147 509.581 20.310 -23.90549      36.35042 
1 1 1 5   4  15 o 257.307 15.182 178.487   20.851  185.128   25.316  164.482   36.766  261.756 18.152 245.137 28.507 16.61906       33.79545 
1 1 1 5   4  17 o 490.357 16.568 646.563   43.556  590.880   53.342  757.973   75.452  468.300 21.246 528.965 26.692 -60.66504      34.11497 
1 1 1 5   4  19 o 303.401 13.227 247.381   21.515  249.287   30.273  245.436   30.583  303.623 18.688 301.211 19.036 2.411957       26.67594 
1 1 1 5   4  21 o 406.303 13.989 444.066   30.473  439.983   42.849  448.244   43.345  403.730 19.796 407.497 19.840 -3.766571      28.02692 
1 1 1 5   4  23 o 626.253 17.684 1058.95   59.375  887.734   101.656 1147.60   73.149  567.193 33.579 650.994 20.959 -83.80042      39.58305 
1 1 1 5   4  25 o 935.691 21.654 2386.58   108.629 2276.61   132.794 2609.01   188.863 909.500 27.233 963.640 36.556 -54.14020      45.58532 
1 1 1 5   4  27 o 512.546 17.674 717.176   48.567  713.192   84.112  719.169   59.485  500.559 31.503 510.911 21.717 -10.35168      38.26302 
1 1 1 5   4  29 o 253.724 22.650 181.489   30.486  181.489   30.486  0.0000    0.0000  253.724 22.650 ?       ?      0.000000       22.64966 
1 1 1 5   4  31 o 267.467 15.747 198.101   22.482  167.878   32.035  227.432   31.558  240.203 25.254 283.266 20.928 -43.06279      32.79867 
1 1 1 5   4  33 o 234.145 19.554 157.011   24.322  185.444   41.526  142.163   30.008  241.425 32.942 217.298 26.293 24.12633       42.14846 
1 1 1 5   4  35 o 266.349 19.808 208.852   28.084  215.511   35.942  198.414   44.999  262.591 25.866 236.230 36.723 26.36104       44.91841 
1 1 1 5   4  37 o 163.099 24.391 85.298    20.673  106.014   32.384  71.049    26.858  164.619 37.527 134.508 36.371 30.11148       52.25978 
1 1 1 5   4  39 o 197.584 53.404 225.410   57.920  225.410   57.920  0.0000    0.0000  197.584 53.404 ?       ?      0.000000       53.40447 
1 1 1 5   4  41 o 110.051 38.196 64.629    27.542  135.482   56.164  42.197    31.603  112.600 49.180 86.053  37.243 26.54684       61.69063 
1 1 1 5   5  0  o 898.639 26.357 2195.60   126.985 0.0000    0.0000  2195.60   126.985 ?       ?      898.639 26.357 0.000000       26.35711 
1 1 1 5   5  2  o 313.127 18.632 265.641   31.137  0.0000    0.0000  265.641   31.137  ?       ?      313.127 18.632 0.000000       18.63162 
1 1 1 5   5  4  o 491.954 20.474 654.353   54.000  0.0000    0.0000  654.353   54.000  ?       ?      491.954 20.474 0.000000       20.47370 
1 1 1 5   5  6  o 526.239 20.725 748.223   58.473  798.910   82.848  697.912   82.539  541.116 28.660 505.020 30.629 36.09601       41.94688 
1 1 1 5   5  8  o 454.296 19.982 556.587   48.669  570.802   68.975  542.493   68.681  457.856 28.237 446.160 28.868 11.69583       40.38148 
1 1 1 5   5  10 o 947.762 27.353 2428.98   138.990 2522.75   196.634 2335.35   196.488 961.957 38.127 924.920 39.624 37.03680       54.98862 
1 1 1 5   5  12 o 1191.06 27.517 3830.08   175.715 3862.68   215.077 3764.66   304.713 1194.04 33.597 1172.11 48.490 21.92834       58.99183 
1 1 1 5   5  14 o 1039.90 28.676 2920.90   159.878 3162.16   226.140 2679.80   226.062 1078.51 39.110 991.585 42.523 86.91992       57.77372 
1 1 1 5   5  16 o 582.383 21.553 913.761   67.296  826.413   94.969  1001.85   95.373  551.229 32.276 608.535 29.233 -57.30634      43.54627 
1 1 1 5   5  18 o 884.553 19.027 2107.75   90.233  2172.12   127.651 2043.46   127.565 895.878 26.577 868.683 27.391 27.19421       38.16512 
1 1 1 5   5  20 o 545.732 17.450 802.423   51.057  813.002   88.005  797.055   62.685  545.777 30.193 543.188 21.525 2.589050       37.08055 
1 1 1 5   5  22 o 401.475 14.245 433.938   30.662  436.138   43.362  431.738   43.364  401.120 20.229 399.062 20.336 2.057404       28.68341 
1 1 1 5   5  24 o 220.626 15.251 132.055   17.929  143.610   25.318  120.430   25.395  228.981 20.851 209.006 23.046 19.97539       31.07884 
1 1 1 5   5  26 o 684.102 22.677 1288.14   83.171  1288.14   83.171  0.0000    0.0000  684.102 22.677 ?       ?      0.000000       22.67659 
1 1 1 5   5  28 o 301.464 16.759 249.650   26.980  247.454   32.459  254.561   48.529  298.405 20.412 296.027 31.039 2.377655       37.14911 
1 1 1 5   5  30 o 333.138 15.066 304.782   26.909  335.026   38.613  276.227   37.520  344.885 20.983 311.854 22.594 33.03064       30.83418 
1 1 1 5   5  32 o 223.624 19.541 142.342   23.193  125.071   41.778  150.035   27.885  190.868 41.969 226.965 23.244 -36.09686      47.97595 
1 1 1 5   5  34 o 290.168 16.818 239.679   26.051  264.092   39.037  220.077   34.980  294.660 24.945 269.462 24.480 25.19806       34.95064 
1 1 1 5   5  36 o 255.659 22.813 201.983   30.940  209.207   39.424  190.398   49.923  248.516 30.211 211.315 45.418 37.20128       54.54781 
1 1 1 5   5  38 o 93.963  32.380 33.683    19.776  67.975    35.069  17.695    23.946  117.005 42.823 77.408  32.939 39.59708       54.02576 
1 1 1 5   5  40 o 105.611 46.661 93.355    51.902  0.0000    0.0000  93.355    51.902  ?       ?      105.611 46.661 0.000000       46.66121 
1 1 1 5   5  42 o 113.552 36.181 69.260    24.818  77.523    40.947  64.462    31.202  90.978  40.741 94.962  38.761 -3.983955      56.23330 
1 1 1 5   6  1  f 467.173 13.962 587.152   34.970  620.906   49.503  553.527   49.408  479.644 19.251 452.691 20.357 26.95297       28.01796 
1 1 1 5   6  3  o 347.998 12.983 325.562   24.223  345.918   34.310  305.332   34.204  358.257 17.863 335.928 19.070 22.32910       26.12969 
1 1 1 5   6  5  o 309.807 13.111 257.951   21.777  275.260   30.846  240.749   30.750  319.157 18.102 298.235 19.336 20.92181       26.48650 
1 1 1 5   6  7  f 516.196 16.770 716.741   46.410  741.890   80.921  704.415   56.653  522.615 28.995 511.284 20.667 11.33176       35.60656 
1 1 1 5   6  9  o 772.436 19.216 1605.20   79.579  1580.80   97.336  1654.40   138.201 765.824 23.707 781.451 32.987 -15.62732      40.62175 
1 1 1 5   6  11 o 240.623 14.716 156.081   18.894  156.081   18.894  0.0000    0.0000  240.623 14.716 ?       ?      0.000000       14.71624 
1 1 1 5   6  13 o 868.017 26.844 2032.76   124.924 2032.76   124.924 0.0000    0.0000  868.017 26.844 ?       ?      0.000000       26.84408 
1 1 1 5   6  15 o 657.679 15.991 1162.63   56.383  1201.83   79.729  1123.41   79.746  667.830 22.268 645.555 23.041 22.27539       32.04316 
1 1 1 5   6  17 o 272.597 19.149 201.124   27.808  205.100   38.596  196.831   40.101  274.087 26.600 268.123 28.326 5.964294       38.85765 
1 1 1 5   6  19 o 456.798 16.590 561.806   40.630  573.029   70.737  556.281   49.634  458.431 28.929 454.042 20.390 4.389862       35.39240 
1 1 1 5   6  21 o 533.991 17.486 769.057   50.060  740.395   87.119  783.187   61.167  519.544 31.424 538.105 21.202 -18.56189      37.90817 
1 1 1 5   6  23 o 514.766 30.923 732.505   84.947  732.505   84.947  0.0000    0.0000  514.766 30.923 ?       ?      0.000000       30.92320 
1 1 1 5   6  25 o 424.519 14.388 487.819   32.748  525.805   46.611  450.791   46.020  438.840 19.811 405.258 21.255 33.58121       29.05602 
1 1 1 5   6  27 o 217.730 15.561 129.876   18.045  126.513   26.179  132.921   24.907  212.037 23.420 218.159 21.578 -6.122009      31.84492 
1 1 1 5   6  29 o 252.959 17.618 177.511   23.744  229.739   41.777  152.591   28.857  281.011 28.106 231.363 23.595 49.64835       36.69697 
1 1 1 5   6  31 o 215.780 17.153 130.313   19.680  138.625   28.800  123.032   26.956  217.524 25.159 204.870 25.064 12.65410       35.51345 
1 1 1 5   6  33 o 315.807 16.052 280.617   27.088  313.799   40.134  252.855   36.711  325.929 23.118 291.804 23.670 34.12448       33.08607 
1 1 1 5   6  35 o 99.183  34.583 35.607    22.590  35.670    29.910  35.524    34.464  98.131  38.661 98.134  40.474 -0.3379822E-02 55.97116 
1 1 1 5   6  37 o 184.565 24.066 108.356   23.246  116.181   37.550  103.494   29.601  164.990 42.262 167.957 34.039 -2.967316      54.26543 
1 1 1 5   6  39 o 143.129 34.328 81.715    26.003  156.166   61.377  65.429    28.707  134.727 54.598 118.086 39.012 16.64153       67.10326 
1 1 1 5   6  41 o 201.441 29.919 160.363   31.331  193.779   65.191  150.327   35.728  119.390 52.543 176.025 38.894 -56.63535      65.37231 
1 1 1 5   7  0  o 947.955 19.220 2420.77   97.683  2477.97   138.175 2363.62   138.114 956.828 26.936 934.275 27.574 22.55310       38.54638 
1 1 1 5   7  2  o 423.300 13.389 481.421   30.386  454.722   42.903  508.294   43.043  410.875 19.476 434.508 18.477 -23.63318      26.84647 
1 1 1 5   7  4  o 777.791 19.498 1628.56   81.307  1647.89   141.107 1618.95   99.483  779.111 33.781 774.661 23.953 4.449524       41.41182 
1 1 1 5   7  6  o 845.239 20.872 1923.00   94.583  1904.66   115.940 1959.49   163.540 840.306 25.735 849.829 35.894 -9.523071      44.16643 
1 1 1 5   7  8  o 547.676 14.547 805.493   42.715  836.777   60.440  774.276   60.376  557.749 20.212 536.442 20.993 21.30664       29.14174 
1 1 1 5   7  10 o 421.544 13.104 477.022   29.616  454.493   34.042  547.156   60.063  411.357 15.436 449.952 24.997 -38.59433      29.37880 
1 1 1 5   7  12 o 742.016 16.511 1479.48   65.682  1457.32   75.703  1546.93   132.101 736.131 19.182 756.127 32.587 -19.99542      37.81308 
1 1 1 5   7  14 o 614.006 17.351 1013.84   57.117  989.354   69.589  1064.38   99.985  606.044 21.417 627.198 29.734 -21.15417      36.64470 
1 1 1 5   7  16 o 536.560 21.926 776.504   63.074  886.848   88.638  663.314   89.774  571.390 29.030 492.627 34.203 78.76318       44.86141 
1 1 1 5   7  18 o 416.839 16.252 467.662   36.319  461.988   62.225  470.594   44.729  411.668 28.366 417.714 19.973 -6.045807      34.69247 
1 1 1 5   7  20 o 445.564 14.472 534.335   34.572  542.788   48.866  525.865   48.918  448.197 20.336 441.094 20.685 7.102966       29.00753 
1 1 1 5   7  22 o 211.776 33.426 126.660   36.692  126.660   36.692  0.0000    0.0000  211.776 33.426 ?       ?      0.000000       33.42572 
1 1 1 5   7  24 o 532.645 21.823 776.561   62.320  763.024   87.969  790.199   88.299  521.272 31.627 530.848 31.162 -9.576538      44.39941 
1 1 1 5   7  26 o 216.569 17.125 128.895   19.721  128.523   24.337  129.607   33.655  214.787 21.420 211.746 30.528 3.040375       37.29291 
1 1 1 5   7  28 o 409.280 16.758 460.401   36.771  477.540   63.230  451.643   45.200  405.894 29.253 402.036 21.043 3.858337       36.03505 
1 1 1 5   7  30 o 340.022 15.081 318.321   27.493  369.718   40.198  273.150   37.685  361.648 20.820 309.006 22.910 52.64130       30.95754 
1 1 1 5   7  32 o 367.013 17.768 379.890   34.962  440.828   64.587  354.634   41.580  373.411 32.588 349.098 22.333 24.31293       39.50660 
1 1 1 5   7  34 f 269.801 17.280 209.388   24.864  230.018   38.335  194.406   32.668  270.476 26.788 251.505 24.540 18.97110       36.32933 
1 1 1 5   7  36 o 170.072 28.780 96.501    25.306  104.328   35.074  88.002    36.547  160.825 40.657 141.037 43.765 19.78818       59.73528 
1 1 1 5   7  38 o 150.226 31.426 82.304    24.497  85.863    55.840  81.455    27.260  110.924 48.727 143.361 35.624 -32.43741      60.36086 
1 1 1 5   7  40 o 122.237 34.920 66.476    24.024  95.618    44.080  54.161    28.654  111.528 45.859 99.971  38.264 11.55705       59.72572 
1 1 1 5   8  1  o 921.144 26.748 2288.33   132.096 2288.33   132.096 0.0000    0.0000  921.144 26.748 ?       ?      0.000000       26.74795 
1 1 1 5   8  3  o 523.231 14.664 735.180   41.135  725.940   58.164  744.427   58.185  519.463 20.885 526.058 20.630 -6.595703      29.35603 
1 1 1 5   8  5  f 793.773 17.541 1693.01   74.649  1695.89   105.547 1690.13   105.591 793.512 24.810 792.156 24.862 1.355591       35.12361 
1 1 1 5   8  7  o 845.601 20.642 1923.01   93.583  1932.41   162.509 1918.35   114.468 844.903 35.876 843.889 25.300 1.013428       43.89966 
1 1 1 5   8  9  o 597.571 17.593 959.593   56.365  908.831   97.889  984.770   68.940  579.121 31.648 605.019 21.254 -25.89783      38.12200 
1 1 1 5   8  11 o 348.279 15.406 325.856   28.766  332.635   34.833  311.319   51.011  351.226 18.564 338.391 28.379 12.83578       33.91171 
1 1 1 5   8  13 o 572.937 16.493 882.508   50.662  822.561   61.782  1005.56   88.516  552.655 20.852 610.078 27.062 -57.42328      34.16379 
1 1 1 5   8  15 o 404.456 16.378 440.010   35.515  426.341   43.245  468.327   62.245  397.241 20.374 414.966 28.144 -17.72519      34.74500 
1 1 1 5   8  17 o 848.909 20.955 1944.55   95.373  1944.55   95.373  0.0000    0.0000  848.909 20.955 ?       ?      0.000000       20.95529 
1 1 1 5   8  19 o 596.823 21.589 963.339   69.079  963.339   69.079  0.0000    0.0000  596.823 21.589 ?       ?      0.000000       21.58890 
1 1 1 5   8  21 o 399.065 14.122 429.263   30.213  476.704   42.795  382.119   42.661  419.599 19.024 374.612 21.330 44.98721       28.58049 
1 1 1 5   8  23 o 401.274 16.626 436.765   35.768  451.715   43.795  406.815   61.988  406.993 20.071 380.894 30.614 26.09964       36.60643 
1 1 1 5   8  25 o 169.490 18.678 79.556    16.691  51.942    28.854  93.444    20.462  131.497 38.479 183.036 21.247 -51.53946      43.95491 
1 1 1 5   8  27 f 224.722 22.674 142.459   26.944  139.213   37.890  145.780   38.322  215.856 33.854 221.307 33.333 -5.450989      47.50956 
1 1 1 5   8  29 o 325.502 17.422 294.278   30.294  328.184   55.927  280.198   36.039  330.755 31.936 314.767 21.484 15.98813       38.48974 
1 1 1 5   8  31 o 182.871 21.481 96.890    20.660  106.125   27.161  84.212    31.824  186.923 27.962 158.378 37.972 28.54500       47.15623 
1 1 1 5   8  33 o 147.332 27.515 68.796    20.935  64.272    43.505  70.160    23.882  122.787 47.113 145.324 31.556 -22.53682      56.70472 
1 1 1 5   8  35 o 203.058 22.318 125.657   23.896  183.731   48.766  107.307   27.412  213.124 44.132 180.040 29.415 33.08495       53.03622 
1 1 1 5   8  37 f 200.177 27.822 134.300   29.052  169.540   40.956  98.610    41.217  208.523 38.036 139.410 46.766 69.11235       60.28102 
1 1 1 5   8  39 o 173.987 26.675 105.881   24.088  115.761   43.768  101.587   28.851  133.901 48.003 157.122 35.131 -23.22102      59.48531 
1 1 1 5   9  0  o 824.999 17.511 1828.43   77.451  1772.26   109.506 1884.65   109.560 811.303 25.176 836.741 24.422 -25.43805      35.07520 
1 1 1 5   9  2  o 396.280 16.074 421.728   34.150  432.649   41.721  399.555   59.449  401.212 19.396 383.847 29.104 17.36478       34.97506 
1 1 1 5   9  4  o 685.491 16.469 1262.07   60.525  1267.01   85.613  1257.14   85.578  686.170 23.272 683.482 23.354 2.687561       32.96988 
1 1 1 5   9  6  o 479.161 14.390 616.422   36.966  633.110   52.337  599.809   52.218  485.244 20.118 472.274 20.623 12.97043       28.81039 
1 1 1 5   9  8  o 745.846 19.395 1495.89   77.555  1492.66   133.907 1497.52   95.136  742.716 33.629 745.664 23.798 -2.947449      41.19719 
1 1 1 5   9  10 o 861.469 18.393 1995.81   84.949  1957.00   120.126 2034.63   120.147 851.621 26.310 868.456 25.804 -16.83545      36.85210 
1 1 1 5   9  12 o 1060.45 18.619 3026.09   105.854 2999.55   136.658 3065.91   167.369 1054.41 24.174 1064.40 29.329 -9.990601      38.00773 
1 1 1 5   9  14 o 743.906 16.915 1488.88   67.464  1488.28   77.731  1490.70   135.816 743.312 19.505 740.211 34.224 3.100525       39.39176 
1 1 1 5   9  16 o 682.773 22.982 1259.61   84.127  1259.61   84.127  0.0000    0.0000  682.773 22.982 ?       ?      0.000000       22.98189 
1 1 1 5   9  18 o 335.845 28.359 309.179   50.584  309.179   50.584  0.0000    0.0000  335.845 28.359 ?       ?      0.000000       28.35871 
1 1 1 5   9  20 f 302.757 13.728 247.038   22.284  252.241   25.495  230.202   45.864  305.295 15.629 287.874 30.165 17.42047       33.97309 
1 1 1 5   9  22 o 288.708 19.761 228.176   30.404  233.572   41.496  221.921   44.674  289.545 27.044 280.903 30.135 8.642181       40.49064 
1 1 1 5   9  24 o 331.201 14.085 297.547   25.010  340.830   35.927  256.854   34.836  352.261 19.095 304.674 21.464 47.58704       28.72812 
1 1 1 5   9  26 o 391.591 14.407 417.888   30.248  502.302   44.592  345.948   41.166  426.434 19.505 351.933 21.927 74.50159       29.34623 
1 1 1 5   9  28 o 463.257 16.852 592.214   41.855  701.568   52.666  404.745   68.958  501.714 19.580 364.096 35.788 137.6180       40.79437 
1 1 1 5   9  30 o 265.651 16.236 196.826   23.012  227.795   35.148  173.591   30.445  279.956 23.639 244.274 23.538 35.68224       33.35905 
1 1 1 5   9  32 o 223.956 17.567 143.304   20.923  179.793   33.387  119.706   26.850  242.418 26.100 197.616 25.972 44.80231       36.82060 
1 1 1 5   9  34 o 70.157  29.910 8.1084    19.812  0.0000    0.0000  8.1084    19.812  ?       ?      70.157  29.910 0.000000       29.90970 
1 1 1 5   9  36 o 201.256 21.679 124.033   23.022  153.163   38.401  107.689   28.764  202.805 36.668 175.941 31.658 26.86423       48.44344 
1 1 1 5   9  38 o 160.202 48.956 143.680   45.930  143.680   45.930  0.0000    0.0000  160.202 48.956 ?       ?      0.000000       48.95562 
1 1 1 5   10 1  o 1042.29 23.590 2923.92   131.823 2863.87   228.102 2954.04   161.528 1027.23 41.418 1046.61 28.787 -19.37878      50.43929 
1 1 1 5   10 3  o 573.032 17.475 882.293   53.687  871.873   92.627  887.565   65.882  567.471 30.558 574.407 21.393 -6.935730      37.30230 
1 1 1 5   10 5  o 941.850 22.295 2387.73   112.581 2289.39   137.729 2585.74   195.432 921.187 27.887 976.526 37.328 -55.33972      46.59526 
1 1 1 5   10 7  o 841.351 21.254 1905.33   95.870  1919.82   117.292 1876.16   166.402 843.706 25.930 831.360 37.333 12.34546       45.45512 
1 1 1 5   10 9  o 839.627 18.068 1896.04   81.334  1963.33   115.069 1828.87   114.979 853.074 25.159 823.155 26.053 29.91962       36.21848 
1 1 1 5   10 11 o 758.502 17.039 1547.34   69.289  1592.71   98.055  1502.09   97.925  768.338 23.804 746.022 24.483 22.31555       34.14760 
1 1 1 5   10 13 o 698.925 15.621 1313.63   58.534  1401.38   67.707  1054.01   116.463 721.601 17.501 621.161 35.115 100.4399       39.23480 
1 1 1 5   10 15 o 613.378 15.879 1012.55   52.219  1044.03   60.179  916.573   105.066 622.487 18.032 578.555 34.022 43.93195       38.50523 
1 1 1 5   10 17 o 442.333 14.174 526.700   33.612  504.702   38.542  596.567   68.688  432.658 16.616 467.274 27.540 -34.61615      32.16402 
1 1 1 5   10 19 o 126.453 19.707 44.368    12.925  41.075    15.130  53.263    24.867  120.642 24.233 135.957 34.158 -15.31554      41.88097 
1 1 1 5   10 21 o 507.720 16.428 699.189   44.718  644.310   54.361  814.053   78.645  485.645 20.878 542.447 27.042 -56.80240      34.16421 
1 1 1 5   10 23 o 310.012 18.084 263.433   29.927  196.838   40.519  343.371   44.393  263.071 29.222 351.410 23.701 -88.33875      37.62578 
1 1 1 5   10 25 o 192.923 16.335 102.499   16.737  121.046   19.849  56.874    31.132  209.236 17.865 135.540 40.057 73.69659       43.86007 
1 1 1 5   10 27 o 305.865 24.393 266.857   39.667  266.857   39.667  0.0000    0.0000  305.865 24.393 ?       ?      0.000000       24.39265 
1 1 1 5   10 29 o 296.112 16.136 243.855   25.519  323.451   38.506  181.510   34.078  336.620 21.448 248.276 25.987 88.34422       33.69463 
1 1 1 5   10 31 o 284.973 18.829 232.613   28.605  290.607   54.494  210.555   33.607  297.133 34.871 266.060 23.812 31.07318       42.22547 
1 1 1 5   10 33 o 63.452  26.980 5.0935    16.043  17.709    42.301  2.9741    17.339  92.915  41.522 63.249  27.480 29.66568       49.79211 
1 1 1 5   10 35 o 148.357 34.241 78.854    26.682  128.905   38.328  31.790    37.167  182.541 40.247 95.472  40.841 87.06864       57.33892 
1 1 1 5   10 37 o 149.467 40.590 97.780    33.366  214.467   60.526  46.841    39.991  188.294 55.902 97.515  42.050 90.77976       69.95151 
1 1 1 5   11 0  o 554.299 14.853 825.146   44.138  841.188   62.490  809.175   62.352  559.161 20.845 548.383 21.208 10.77838       29.73697 
1 1 1 5   11 2  o 652.085 18.543 1143.26   64.826  1115.14   112.380 1157.28   79.361  641.172 32.802 655.601 22.578 -14.42859      39.82165 
1 1 1 5   11 4  o 950.967 19.308 2432.50   98.443  2643.05   139.314 2222.52   139.124 989.842 26.252 907.153 28.606 82.68884       38.82562 
1 1 1 5   11 6  o 1166.07 22.459 3662.98   140.403 3657.23   198.534 3668.73   198.585 1162.26 31.861 1164.09 31.819 -1.840698      45.02876 
1 1 1 5   11 8  o 860.835 21.391 1996.16   98.725  1954.19   121.016 2079.68   170.705 850.624 26.536 874.641 36.404 -24.01709      45.04870 
1 1 1 5   11 10 o 979.247 28.173 2594.72   147.907 2594.72   147.907 0.0000    0.0000  979.247 28.173 ?       ?      0.000000       28.17256 
1 1 1 5   11 12 o 1153.43 25.339 3597.97   156.693 3664.59   191.788 3464.22   271.745 1161.62 30.795 1121.07 45.212 40.55225       54.70395 
1 1 1 5   11 14 o 532.331 21.532 765.745   61.451  722.673   86.824  808.978   86.986  513.841 31.671 544.351 29.921 -30.51013      43.56947 
1 1 1 5   11 16 o 744.148 19.671 1498.11   78.481  1515.16   95.946  1463.65   136.426 746.720 23.966 728.411 34.934 18.30908       42.36468 
1 1 1 5   11 18 o 472.666 20.616 607.423   52.244  603.669   72.793  611.412   75.027  467.078 29.216 469.704 29.950 -2.626984      41.83944 
1 1 1 5   11 20 o 341.286 20.532 319.278   37.394  344.390   53.161  294.684   52.610  350.999 28.496 323.448 30.706 27.55020       41.89133 
1 1 1 5   11 22 o 200.399 18.129 110.574   19.267  110.574   19.267  0.0000    0.0000  200.399 18.129 ?       ?      0.000000       18.12875 
1 1 1 5   11 24 o 281.399 19.146 219.009   28.713  219.009   28.713  0.0000    0.0000  281.399 19.146 ?       ?      0.000000       19.14610 
1 1 1 5   11 26 o 353.418 14.290 341.347   27.077  358.830   31.452  291.294   53.217  361.353 16.235 313.424 32.124 47.92902       35.99327 
1 1 1 5   11 28 o 127.240 32.102 50.877    21.898  63.858    28.766  32.990    33.768  139.458 37.612 106.945 41.380 32.51229       55.91929 
1 1 1 5   11 30 o 205.879 20.042 122.343   21.842  129.185   25.776  104.919   41.132  208.983 23.408 167.538 44.887 41.44562       50.62375 
1 1 1 5   11 32 o 167.799 19.113 81.805    16.888  90.581    22.089  69.459    26.199  172.563 24.570 142.460 34.638 30.10292       42.46711 
1 1 1 5   11 34 o 210.560 31.891 149.091   34.874  206.128   58.454  117.569   43.455  214.850 51.430 165.046 46.900 49.80437       69.60393 
1 1 1 5   11 36 o 213.095 22.334 141.819   25.137  166.290   44.908  130.653   30.334  195.395 43.935 194.053 30.134 1.342590       53.27633 
1 1 1 5   12 1  o 451.169 14.098 546.696   34.102  526.425   48.157  567.084   48.297  442.273 20.310 459.095 19.622 -16.82224      28.24019 
1 1 1 5   12 3  o 707.842 18.848 1347.86   71.526  1331.97   87.667  1379.50   123.700 703.010 23.260 713.668 32.330 -10.65796      39.82745 
1 1 1 5   12 5  o 394.023 19.591 417.868   41.386  454.380   59.428  383.484   57.670  409.223 27.243 375.501 28.867 33.72278       39.69242 
1 1 1 5   12 7  o 730.078 19.196 1434.90   75.136  1451.25   130.541 1426.81   91.881  731.118 33.303 727.234 23.566 3.883423       40.79778 
1 1 1 5   12 9  o 591.727 15.285 941.498   48.491  945.910   68.543  937.078   68.610  592.208 21.588 589.417 21.712 2.791748       30.61797 
1 1 1 5   12 11 o 259.118 13.899 181.053   19.238  177.360   27.111  184.798   27.304  255.653 19.938 261.032 19.654 -5.379486      27.99644 
1 1 1 5   12 13 o 432.900 20.452 506.717   47.467  0.0000    0.0000  506.717   47.467  ?       ?      432.900 20.452 0.000000       20.45205 
1 1 1 5   12 15 o 484.193 14.507 632.113   37.659  619.632   43.315  670.760   76.221  478.902 16.870 493.764 28.919 -14.86209      33.48019 
1 1 1 5   12 17 o 440.106 14.324 523.150   33.799  525.433   38.848  516.038   68.559  440.539 16.448 430.799 29.868 9.740417       34.09760 
1 1 1 5   12 19 o 179.736 14.778 88.058    14.114  84.077    16.107  101.229   29.295  175.034 17.394 188.344 30.020 -13.30980      34.69503 
1 1 1 5   12 21 o 236.221 16.569 152.719   20.850  152.719   20.850  0.0000    0.0000  236.221 16.569 ?       ?      0.000000       16.56850 
1 1 1 5   12 23 o 294.660 16.667 238.199   26.221  238.199   26.221  0.0000    0.0000  294.660 16.667 ?       ?      0.000000       16.66667 
1 1 1 5   12 25 o 196.002 20.960 108.281   21.684  107.935   26.042  109.064   39.156  193.350 25.763 185.270 40.546 8.079941       48.03925 
1 1 1 5   12 27 o 220.759 24.947 142.292   29.008  152.609   39.209  129.815   43.117  221.309 34.144 196.748 42.146 24.56071       54.24107 
1 1 1 5   12 29 o 208.798 16.881 122.918   18.735  145.006   21.465  52.256    38.392  226.245 17.841 120.775 44.705 105.4694       48.13316 
1 1 1 5   12 31 o 137.338 26.841 58.606    19.055  57.606    22.060  61.544    37.812  132.788 31.469 126.211 44.684 6.577751       54.65301 
1 1 1 5   12 33 o 147.464 29.536 71.086    22.537  71.086    22.537  0.0000    0.0000  147.464 29.536 ?       ?      0.000000       29.53566 
1 1 1 5   12 35 o 239.391 26.517 186.374   33.461  242.215   44.404  112.996   50.901  262.765 32.193 140.349 51.558 122.4156       60.78321 
1 1 1 5   13 0  o 716.724 19.176 1382.63   73.686  1334.84   90.165  1478.72   127.861 703.442 23.908 738.475 32.295 -35.03333      40.18121 
1 1 1 5   13 2  o 785.912 17.436 1661.52   73.468  1693.48   103.919 1629.59   103.879 792.096 24.471 776.907 24.940 15.18884       34.93984 
1 1 1 5   13 4  f 917.753 19.073 2268.04   93.845  2283.67   132.722 2252.41   132.712 918.856 26.942 912.488 27.128 6.367737       38.23311 
1 1 1 5   13 6  o 489.450 14.567 644.080   38.225  670.151   53.949  617.795   54.169  498.582 20.182 478.583 21.112 19.99918       29.20677 
1 1 1 5   13 8  o 263.237 16.184 187.241   22.729  170.619   39.726  195.330   27.713  248.645 30.436 268.430 19.387 -19.78476      36.08635 
1 1 1 5   13 10 o 593.071 22.194 952.273   70.569  0.0000    0.0000  952.273   70.569  ?       ?      593.071 22.194 0.000000       22.19403 
1 1 1 5   13 12 o 227.617 14.362 140.159   17.436  120.687   24.744  159.363   24.574  209.710 22.352 241.968 19.098 -32.25787      29.39996 
1 1 1 5   13 14 o 343.218 16.669 318.604   30.672  358.316   57.130  302.522   36.355  359.324 29.928 333.097 20.457 26.22702       36.25135 
1 1 1 5   13 16 o 322.416 13.870 280.795   23.975  282.931   27.789  274.578   47.412  323.226 16.036 313.850 28.488 9.376434       32.69102 
1 1 1 5   13 18 o 179.973 17.370 88.890    16.552  88.890    16.552  0.0000    0.0000  179.973 17.370 ?       ?      0.000000       17.37034 
1 1 1 5   13 20 o 431.975 14.684 506.673   34.007  542.940   39.448  401.731   67.103  446.430 16.482 373.278 33.900 73.15179       37.69436 
1 1 1 5   13 22 o 270.750 14.741 200.202   21.318  197.522   24.154  209.648   45.340  268.158 16.887 268.182 32.177 -0.2398682E-01 36.33884 
1 1 1 5   13 24 o 186.124 26.045 100.314   25.278  103.532   32.920  95.690    39.459  184.228 34.601 171.513 42.994 12.71506       55.18766 
1 1 1 5   13 26 o 264.539 15.262 193.645   21.554  197.250   24.586  181.673   44.805  265.798 17.348 240.318 35.874 25.47989       39.84828 
1 1 1 5   13 28 o 185.665 29.857 106.337   28.713  142.689   39.717  66.538    41.557  208.947 36.799 133.898 46.894 75.04901       59.60855 
1 1 1 5   13 30 o 214.588 19.178 132.093   21.832  132.093   21.832  0.0000    0.0000  214.588 19.178 ?       ?      0.000000       19.17832 
1 1 1 5   13 32 o 92.223  29.417 27.593    16.403  26.883    18.312  30.474    36.895  91.042  31.169 98.781  41.399 -7.738312      51.82040 
1 1 1 5   13 34 f 99.796  30.520 34.944    17.847  36.394    19.919  29.043    40.187  100.391 32.458 93.257  41.138 7.134201       52.40135 
1 1 1 5   14 1  o 734.972 16.882 1454.54   66.520  1439.66   94.084  1469.42   94.064  729.528 24.055 737.097 23.803 -7.569519      33.84089 
1 1 1 5   14 3  o 554.496 17.429 828.463   51.814  825.544   63.407  834.328   89.890  552.799 21.394 552.752 30.450 0.4742432E-01  37.21463 
1 1 1 5   14 5  o 557.801 21.668 841.528   64.799  0.0000    0.0000  841.528   64.799  ?       ?      557.801 21.668 0.000000       21.66787 
1 1 1 5   14 7  o 747.291 19.843 1509.81   79.498  1530.03   97.508  1469.71   137.295 750.718 24.227 730.759 35.044 19.95850       42.60253 
1 1 1 5   14 9  o 400.979 16.005 433.848   34.408  472.802   60.444  415.174   41.851  415.161 27.308 391.035 20.030 24.12631       33.86649 
1 1 1 5   14 11 o 571.092 17.583 882.535   53.836  903.237   65.872  840.889   93.429  576.489 21.313 550.825 31.772 25.66418       38.25814 
1 1 1 5   14 13 o 494.173 17.168 661.594   45.485  662.866   78.236  660.945   55.905  488.565 30.014 492.585 21.169 -4.019257      36.72784 
1 1 1 5   14 15 o 275.883 20.182 208.643   29.643  235.207   45.421  188.933   39.124  289.443 29.690 259.565 28.589 29.87823       41.21666 
1 1 1 5   14 17 o 311.362 16.926 264.423   28.149  289.764   34.779  216.303   47.927  324.872 20.066 274.785 33.206 50.08755       38.79838 
1 1 1 5   14 19 o 449.648 17.338 551.891   41.798  503.966   50.871  651.476   73.330  426.647 22.317 480.451 28.598 -53.80368      36.27501 
1 1 1 5   14 21 o 291.008 23.483 237.755   36.325  223.670   51.121  252.119   51.626  274.465 35.578 293.177 33.444 -18.71228      48.82919 
1 1 1 5   14 23 o 330.793 15.212 299.969   26.978  295.345   30.828  315.088   55.748  326.542 17.675 325.444 32.381 1.097778       36.89029 
1 1 1 5   14 25 o 188.826 18.770 100.523   18.750  117.072   21.014  35.899    41.525  203.517 19.498 113.140 45.238 90.37733       49.26049 
1 1 1 5   14 27 o 159.897 31.251 79.602    25.830  79.602    25.830  0.0000    0.0000  159.897 31.251 ?       ?      0.000000       31.25092 
1 1 1 5   14 29 o 63.552  26.644 4.9449    15.292  6.8640    16.954  -3.4242   35.406  67.887  28.225 81.531  37.065 -13.64442      46.58855 
1 1 1 5   14 31 o 139.489 25.938 60.418    18.684  60.344    21.051  60.692    40.554  136.643 29.592 122.465 45.824 14.17757       54.54808 
1 1 1 5   14 33 o 104.685 29.388 37.420    17.170  26.620    18.994  85.691    40.155  88.516  31.634 136.332 46.158 -47.81643      55.95759 
1 1 1 5   15 0  o 686.347 19.000 1272.98   69.914  1273.44   120.882 1272.75   85.701  680.934 33.112 684.890 23.340 -3.955872      40.51120 
1 1 1 5   15 2  f 806.885 17.788 1758.22   76.948  1758.77   108.793 1757.67   108.850 804.018 25.238 803.757 25.260 0.2611694      35.70768 
1 1 1 5   15 4  o 584.341 15.437 920.818   48.361  928.042   68.429  913.609   68.357  584.888 21.822 580.275 21.972 4.613464       30.96744 
1 1 1 5   15 6  o 446.742 14.331 538.035   34.325  550.090   48.701  526.136   48.385  450.477 20.165 440.480 20.489 9.996674       28.74729 
1 1 1 5   15 8  o 292.342 16.509 231.733   25.770  227.722   31.506  239.839   44.793  288.912 20.473 294.105 28.777 -5.193054      35.31622 
1 1 1 5   15 10 o 195.049 20.715 104.610   21.331  104.610   21.331  0.0000    0.0000  195.049 20.715 ?       ?      0.000000       20.71538 
1 1 1 5   15 12 o 154.809 15.981 65.563    13.073  80.818    19.258  52.524    17.804  170.802 21.507 136.219 25.311 34.58235       33.21389 
1 1 1 5   15 14 o 164.767 15.709 74.239    13.709  91.067    20.637  60.947    18.341  181.176 21.676 147.084 24.093 34.09184       32.40831 
1 1 1 5   15 16 o 421.628 16.810 483.677   37.999  528.226   69.527  464.702   45.375  432.697 30.159 411.774 20.554 20.92322       36.49705 
1 1 1 5   15 18 o 225.244 18.437 139.806   22.069  146.927   26.186  122.347   41.002  229.843 21.500 201.258 39.410 28.58560       44.89293 
1 1 1 5   15 20 o 198.281 19.441 109.503   20.401  116.230   24.044  92.216    38.547  203.095 22.458 170.640 42.337 32.45508       47.92514 
1 1 1 5   15 22 o 278.815 15.900 214.276   23.669  203.340   27.601  244.663   46.009  269.896 19.200 288.121 30.236 -18.22552      35.81705 
1 1 1 5   15 24 o 171.316 22.165 84.266    19.881  84.266    19.881  0.0000    0.0000  171.316 22.165 ?       ?      0.000000       22.16481 
1 1 1 5   15 26 o 212.996 21.514 129.976   24.231  115.307   28.536  167.894   45.879  196.361 27.890 227.244 39.065 -30.88353      47.99940 
1 1 1 5   15 28 o 195.077 28.917 116.637   29.328  116.637   29.328  0.0000    0.0000  195.077 28.917 ?       ?      0.000000       28.91725 
1 1 1 5   15 30 o 226.579 25.479 156.148   30.414  144.891   37.985  176.258   50.768  207.534 35.409 215.732 45.335 -8.197311      57.52428 
1 1 1 5   15 32 o 60.842  26.629 2.4060    16.541  -1.6593   18.323  20.307    38.450  60.053  27.043 89.843  39.905 -29.79038      48.20520 
1 1 1 5   16 1  o 353.222 14.202 336.421   26.894  332.641   37.737  340.323   38.339  349.621 20.219 353.624 20.307 -4.003174      28.65635 
1 1 1 5   16 3  o 543.526 17.503 799.308   51.005  889.108   89.850  756.611   61.955  567.666 29.625 527.431 21.910 40.23553       36.84702 
1 1 1 5   16 5  o 556.393 21.551 842.370   64.287  896.509   92.323  791.411   89.570  569.111 30.368 534.023 31.423 35.08801       43.69928 
1 1 1 5   16 7  o 606.740 22.320 1004.12   72.604  1004.12   72.604  0.0000    0.0000  606.740 22.320 ?       ?      0.000000       22.31956 
1 1 1 5   16 9  o 347.849 14.172 326.870   26.430  335.689   37.572  318.232   37.186  350.612 20.071 341.233 20.420 9.378693       28.63266 
1 1 1 5   16 11 o 346.061 14.141 323.777   26.236  336.754   37.243  310.993   36.965  350.947 19.876 336.981 20.559 13.96609       28.59568 
1 1 1 5   16 13 o 335.631 17.091 307.013   30.652  294.477   37.388  332.712   53.529  327.153 21.435 344.109 29.294 -16.95605      36.29826 
1 1 1 5   16 15 o 243.313 21.447 164.004   27.691  175.626   37.775  150.504   40.712  248.707 28.867 227.344 34.484 21.36264       44.97148 
1 1 1 5   16 17 o 236.973 23.216 157.464   29.117  166.849   40.371  147.291   42.035  239.311 32.290 222.214 36.555 17.09630       48.77410 
1 1 1 5   16 19 o 174.414 22.549 86.245    20.592  71.797    25.129  115.777   35.926  155.108 31.298 195.457 35.595 -40.34886      47.39807 
1 1 1 5   16 21 o 208.848 19.325 122.093   21.393  122.093   21.393  0.0000    0.0000  208.848 19.325 ?       ?      0.000000       19.32473 
1 1 1 5   16 23 o 245.366 19.956 169.269   26.025  158.474   32.334  189.125   43.853  233.458 26.291 249.411 33.655 -15.95276      42.70665 
1 1 1 5   16 25 o 307.334 19.320 265.795   31.672  268.260   37.781  259.968   58.095  305.577 23.235 284.434 39.133 21.14276       45.51084 
1 1 1 5   16 27 o 213.103 26.921 136.361   30.072  138.317   37.484  132.827   50.374  207.515 34.932 187.146 49.459 20.36888       60.55169 
1 1 1 5   16 29 o 144.525 29.250 66.516    21.887  69.091    25.046  58.198    45.015  144.187 33.100 121.040 47.511 23.14702       57.90393 
1 1 1 5   17 0  o 348.073 16.408 327.759   30.620  323.220   37.020  337.589   54.484  344.299 20.143 348.631 29.424 -4.332275      35.65859 
1 1 1 5   17 2  o 140.020 21.531 54.583    15.645  87.714    29.758  41.928    18.392  175.022 32.922 120.982 28.775 54.04063       43.72496 
1 1 1 5   17 4  o 291.483 16.239 230.642   25.277  244.965   43.173  223.172   31.179  297.084 27.415 285.649 20.496 11.43488       34.22937 
1 1 1 5   17 6  o 479.997 16.779 624.384   43.180  698.718   75.791  588.662   52.541  502.066 28.272 464.605 21.093 37.46103       35.27373 
1 1 1 5   17 8  o 225.304 18.284 138.868   21.895  114.495   38.670  150.369   26.563  197.961 37.814 233.652 21.444 -35.69115      43.47144 
1 1 1 5   17 10 o 208.699 16.457 118.954   18.264  122.721   29.315  116.565   23.350  208.924 26.789 205.239 21.542 3.685226       34.37568 
1 1 1 5   17 12 o 194.154 17.160 103.419   17.678  117.723   30.190  95.956    21.808  203.448 28.457 185.469 22.384 17.97897       36.20552 
1 1 1 5   17 14 o 289.406 15.167 228.417   23.452  217.458   33.821  238.566   32.547  279.386 22.778 293.606 20.812 -14.22079      30.85343 
1 1 1 5   17 16 o 195.990 16.698 105.818   17.379  123.601   25.757  90.956    23.546  209.387 23.341 178.482 25.317 30.90549       34.43463 
1 1 1 5   17 18 o 337.837 16.587 313.028   30.043  343.008   37.564  259.806   50.049  351.325 20.026 297.623 31.861 53.70212       37.63205 
1 1 1 5   17 20 o 264.604 16.404 192.984   23.157  201.262   26.411  165.470   48.152  269.296 18.403 229.724 40.580 39.57230       44.55830 
1 1 1 5   17 22 o 203.158 18.279 115.261   19.696  104.620   22.376  151.877   41.508  191.682 22.183 221.832 36.145 -30.14928      42.40987 
1 1 1 5   17 24 o 185.710 20.863 98.335    20.413  91.724    24.108  115.079   38.367  176.285 26.314 188.099 39.312 -11.81316      47.30564 
1 1 1 5   17 26 o 76.313  31.001 11.396    19.841  27.547    23.277  -31.5161  37.941  96.032  34.927 72.892  34.788 23.14005       49.29634 
1 1 1 5   17 28 o 90.377  34.389 24.414    23.059  24.414    23.059  0.0000    0.0000  90.377  34.389 ?       ?      0.000000       34.38941 
1 1 1 5   18 1  f 423.306 16.890 485.902   38.332  485.558   46.876  486.598   66.598  421.938 20.722 417.567 29.947 4.371460       36.41751 
1 1 1 5   18 3  o 574.278 22.073 902.278   67.959  902.278   67.959  0.0000    0.0000  574.278 22.073 ?       ?      0.000000       22.07269 
1 1 1 5   18 5  o 311.710 16.311 264.279   27.164  282.046   46.030  254.785   33.648  318.035 27.259 304.695 20.721 13.33981       34.24068 
1 1 1 5   18 7  o 150.530 19.284 62.803    15.205  77.445    24.136  53.168    19.579  164.667 28.363 135.999 27.792 28.66869       39.70906 
1 1 1 5   18 9  o 240.434 15.374 157.592   19.714  146.316   27.767  169.052   27.994  229.306 22.892 247.201 21.331 -17.89502      31.28983 
1 1 1 5   18 11 o 188.390 19.186 98.219    19.108  87.609    37.690  101.889   22.168  168.862 41.845 190.976 22.057 -22.11378      47.30204 
1 1 1 5   18 13 o 177.632 20.586 88.067    19.242  99.361    36.810  83.821    22.571  180.532 39.158 171.549 25.300 8.982956       46.61993 
1 1 1 5   18 15 f 159.144 20.778 71.106    17.305  89.226    23.360  49.064    25.764  176.764 25.377 127.278 36.094 49.48592       44.12195 
1 1 1 5   18 17 f 126.702 20.788 45.537    13.631  46.776    19.958  44.454    18.663  125.371 30.078 122.541 28.880 2.830223       41.69783 
1 1 1 5   18 19 o 171.087 22.915 83.312    20.491  80.465    24.071  90.804    39.051  165.769 28.087 167.756 43.168 -1.986404      51.50146 
1 1 1 5   18 21 o 253.110 20.193 179.842   27.174  193.942   32.561  147.488   49.323  260.842 23.537 211.405 44.904 49.43651       50.69845 
1 1 1 5   18 23 f 205.085 22.219 120.647   24.039  111.882   28.536  142.069   44.613  193.612 28.329 207.385 41.572 -13.77251      50.30708 
1 1 1 5   18 25 o 195.402 27.720 115.560   28.225  115.560   28.225  0.0000    0.0000  195.402 27.720 ?       ?      0.000000       27.71961 
1 1 1 5   19 0  o 270.426 17.040 199.617   24.579  171.041   40.784  215.915   30.801  244.779 31.831 280.138 20.653 -35.35872      37.94423 
1 1 1 5   19 2  o 255.302 16.550 177.875   22.531  159.951   37.967  187.618   27.993  237.006 30.594 261.134 20.150 -24.12796      36.63388 
1 1 1 5   19 4  o 276.237 16.472 208.206   24.285  241.117   30.303  149.130   40.600  296.448 19.169 226.729 34.487 69.71851       39.45653 
1 1 1 5   19 6  o 221.018 18.559 134.347   21.788  143.859   26.293  113.503   38.922  227.696 21.805 195.075 38.582 32.62134       44.31765 
1 1 1 5   19 8  o 274.648 17.517 206.650   25.659  225.872   44.924  197.343   31.259  281.430 30.249 266.692 22.060 14.73792       37.43843 
1 1 1 5   19 10 o 229.937 18.018 145.413   22.035  143.402   28.373  148.469   34.977  226.255 23.744 227.775 29.323 -1.520233      37.73115 
1 1 1 5   19 12 o 191.918 18.301 101.742   18.602  107.474   24.968  94.590    27.888  195.144 24.398 180.700 29.827 14.44370       38.53437 
1 1 1 5   19 14 o 239.666 15.872 157.345   20.279  150.729   29.215  163.497   28.172  231.458 23.886 242.014 21.951 -10.55640      32.44049 
1 1 1 5   19 16 o 150.610 23.688 64.766    18.496  81.799    41.516  60.548    20.659  159.214 46.032 143.965 27.773 15.24834       53.76091 
1 1 1 5   19 18 f 226.313 23.153 145.076   27.697  0.0000    0.0000  145.076   27.697  ?       ?      226.313 23.153 0.000000       23.15337 
1 1 1 5   19 20 o 181.512 27.477 96.829    25.903  0.0000    0.0000  96.829    25.903  ?       ?      181.512 27.477 0.000000       27.47742 
1 1 1 5   19 22 o 165.381 49.809 100.457   47.797  100.457   47.797  0.0000    0.0000  165.381 49.809 ?       ?      0.000000       49.80894 
1 1 1 5   20 1  o 267.867 17.574 196.268   25.098  204.007   46.678  193.121   29.767  266.443 33.411 264.516 21.167 1.927246       39.55191 
1 1 1 5   20 3  o 271.128 14.952 199.994   21.651  210.414   31.100  190.195   30.158  276.127 21.169 262.278 21.641 13.84869       30.27292 
1 1 1 5   20 5  o 367.220 16.956 367.180   33.382  397.452   41.738  313.437   55.613  380.164 20.555 331.705 31.656 48.45880       37.74374 
1 1 1 5   20 7  o 206.355 19.542 117.600   21.362  118.465   27.713  116.334   33.534  204.947 25.793 200.359 32.317 4.588287       41.34826 
1 1 1 5   20 9  o 283.873 18.389 221.274   27.837  225.605   33.665  211.914   49.495  285.120 22.198 269.619 35.071 15.50113       41.50593 
1 1 1 5   20 11 o 153.418 25.139 67.159    19.961  82.042    23.514  28.770    37.765  169.269 26.804 112.013 43.643 57.25527       51.21701 
1 1 1 5   20 13 o 441.049 15.534 530.433   36.732  548.453   52.318  512.914   51.584  444.748 21.941 429.217 22.495 15.53177       31.42348 
1 1 1 5   20 15 o 327.961 17.392 296.099   30.471  327.349   52.122  279.873   37.557  337.149 29.121 316.168 22.300 20.98093       36.67860 
1 1 1 5   20 17 o 140.087 23.992 56.700    17.371  95.940    29.756  36.413    21.395  178.754 32.235 109.878 33.377 68.87611       46.40192 
1 1 1 5   20 19 o 248.555 21.326 174.880   28.143  183.552   42.226  167.950   37.749  246.249 32.800 237.335 30.363 8.913788       44.69626 
1 1 1 5   21 0  o 266.013 17.795 193.705   25.232  223.457   32.199  146.370   40.615  284.578 21.258 224.377 34.896 60.20024       40.86148 
1 1 1 5   21 2  o 91.446  27.978 23.555    14.996  13.203    21.376  33.589    21.044  83.722  32.775 108.178 33.151 -24.45558      46.61755 
1 1 1 5   21 4  o 134.862 24.943 51.902    17.370  60.197    34.129  49.002    20.180  141.234 41.988 129.639 29.675 11.59517       51.41586 
1 1 1 5   21 6  o 143.843 21.307 58.074    15.934  48.924    23.193  66.254    21.929  128.557 33.362 151.624 28.008 -23.06706      43.56004 
1 1 1 5   21 8  o 203.599 20.613 115.166   22.190  116.502   28.666  113.169   35.051  202.283 27.115 195.873 34.646 6.410583       43.99491 
1 1 1 5   21 10 o 168.699 23.092 80.371    20.337  86.389    35.926  77.533    24.671  167.352 40.482 163.252 29.262 4.099472       49.95079 
1 1 1 5   21 12 o 204.057 19.258 115.698   20.819  111.467   36.952  117.666   25.200  191.544 37.325 204.107 23.455 -12.56311      44.08285 
1 1 1 5   21 14 o 222.345 23.312 140.002   27.376  134.103   39.233  145.599   38.217  210.132 36.127 221.002 33.287 -10.87047      49.12432 
1 1 1 5   22 1  o 185.449 23.370 96.565    22.719  66.915    27.824  155.878   39.354  149.755 35.242 232.030 32.530 -82.27449      47.96027 
1 1 1 5   22 3  o 249.309 16.564 170.173   22.014  156.017   31.477  183.727   30.800  235.385 25.342 256.840 22.598 -21.45486      33.95402 
1 1 1 5   22 5  o 210.485 20.416 123.046   22.750  117.184   40.611  125.726   27.463  196.328 39.942 211.117 24.732 -14.78835      46.97930 
1 1 1 5   22 7  o 278.258 18.152 213.177   26.932  305.071   49.157  173.762   32.194  327.290 28.293 248.387 24.494 78.90266       37.42252 
1 1 1 5   22 9  o 207.499 24.802 122.261   27.045  0.0000    0.0000  122.261   27.045  ?       ?      207.499 24.802 0.000000       24.80243 
1 1 1 6   0  0  o 807.189 24.935 1760.74   107.677 1760.74   107.677 1760.74   107.677 807.189 24.935 807.189 24.935 0.000000       0.000000 
1 1 1 6   0  2  o 300.416 18.608 245.469   29.706  245.469   29.706  245.469   29.706  300.416 18.608 300.416 18.608 0.000000       0.000000 
1 1 1 6   0  4  o 410.040 19.509 455.517   42.667  455.517   42.667  455.517   42.667  410.040 19.509 410.040 19.509 0.000000       0.000000 
1 1 1 6   0  6  o 253.615 18.353 175.736   24.654  175.736   24.654  175.736   24.654  253.615 18.353 253.615 18.353 0.000000       0.000000 
1 1 1 6   0  8  o 109.889 21.338 35.918    11.210  35.918    11.210  35.918    11.210  109.889 21.338 109.889 21.338 0.000000       0.000000 
1 1 1 6   0  10 o 35.918  19.687 4.8241    5.4393  4.8241    5.4393  4.8241    5.4393  35.918  19.687 35.918  19.687 0.000000       0.000000 
1 1 1 6   0  12 o 484.021 20.359 632.766   52.619  632.766   52.619  632.766   52.619  484.021 20.359 484.021 20.359 0.000000       0.000000 
1 1 1 6   0  14 o 391.625 27.835 418.658   57.764  418.658   57.764  418.658   57.764  391.625 27.835 391.625 27.835 0.000000       0.000000 
1 1 1 6   0  16 o 513.476 20.621 711.453   56.559  711.453   56.559  711.453   56.559  513.476 20.621 513.476 20.621 0.000000       0.000000 
1 1 1 6   0  18 o 674.182 22.888 1225.83   82.512  1225.83   82.512  1225.83   82.512  674.182 22.888 674.182 22.888 0.000000       0.000000 
1 1 1 6   0  20 o 140.366 22.614 56.900    15.693  56.900    15.693  56.900    15.693  140.366 22.614 140.366 22.614 0.000000       0.000000 
1 1 1 6   0  22 f 618.446 22.390 1032.92   74.018  1032.92   74.018  1032.92   74.018  618.446 22.390 618.446 22.390 0.000000       0.000000 
1 1 1 6   0  24 o 304.122 20.232 252.142   32.653  252.142   32.653  252.142   32.653  304.122 20.232 304.122 20.232 0.000000       0.000000 
1 1 1 6   0  26 o 353.238 20.256 339.737   38.073  339.737   38.073  339.737   38.073  353.238 20.256 353.238 20.256 0.000000       0.000000 
1 1 1 6   0  28 o 252.780 21.092 176.395   28.126  176.395   28.126  176.395   28.126  252.780 21.092 252.780 21.092 0.000000       0.000000 
1 1 1 6   0  30 o 279.997 30.420 222.537   44.298  222.537   44.298  222.537   44.298  279.997 30.420 279.997 30.420 0.000000       0.000000 
1 1 1 6   0  32 o 124.573 39.251 53.996    23.034  53.996    23.034  53.996    23.034  124.573 39.251 124.573 39.251 0.000000       0.000000 
1 1 1 6   0  34 o 239.615 34.055 169.985   41.195  169.985   41.195  169.985   41.195  239.615 34.055 239.615 34.055 0.000000       0.000000 
1 1 1 6   0  36 o 148.077 40.982 74.948    28.140  74.948    28.140  74.948    28.140  148.077 40.982 148.077 40.982 0.000000       0.000000 
1 1 1 6   0  38 o 55.221  35.844 1.8359    25.320  1.8359    25.320  1.8359    25.320  55.221  35.844 55.221  35.844 0.000000       0.000000 
1 1 1 6   0  40 o 106.131 51.991 52.572    35.086  52.572    35.086  52.572    35.086  106.131 51.991 106.131 51.991 0.000000       0.000000 
1 1 1 6   0  42 o 79.163  46.078 28.669    32.263  28.669    32.263  28.669    32.263  79.163  46.078 79.163  46.078 0.000000       0.000000 
1 1 1 6   1  1  o 474.005 20.113 606.655   51.113  590.988   72.308  622.302   72.261  465.141 29.143 477.585 28.349 -12.44440      40.65636 
1 1 1 6   1  3  o 154.831 14.665 65.112    12.028  62.008    14.738  71.307    20.817  150.433 18.675 160.243 25.051 -9.809662      31.24611 
1 1 1 6   1  5  o 490.194 20.307 649.997   53.369  651.433   75.383  648.554   75.567  487.658 28.963 486.525 29.104 1.133087       41.05948 
1 1 1 6   1  7  o 107.361 16.147 31.759    9.0064  35.812    10.993  23.486    15.707  113.685 18.686 92.800  28.673 20.88538       34.22450 
1 1 1 6   1  9  o 294.009 18.511 234.120   29.030  234.120   29.030  0.0000    0.0000  294.009 18.511 ?       ?      0.000000       18.51133 
1 1 1 6   1  11 o 418.701 13.765 471.192   30.900  463.378   43.688  479.015   43.712  414.646 19.652 421.621 19.338 -6.974487      27.57096 
1 1 1 6   1  13 o 300.708 12.954 242.833   20.884  226.443   29.443  259.431   29.628  289.459 19.079 310.052 17.900 -20.59296      26.16150 
1 1 1 6   1  15 o 311.989 15.260 261.532   25.524  276.704   44.587  254.136   31.129  319.125 26.294 306.766 19.021 12.35919       32.45300 
1 1 1 6   1  17 o 318.003 15.069 271.801   25.691  259.173   44.140  278.271   31.594  308.488 26.959 321.032 18.433 -12.54410      32.65854 
1 1 1 6   1  19 o 75.666  19.608 16.011    8.0192  5.8416    11.515  25.588    11.174  61.156  24.022 95.457  22.246 -34.30102      32.74033 
1 1 1 6   1  21 o 658.269 18.601 1169.00   65.645  1170.21   80.446  1166.59   113.567 657.556 22.819 653.374 32.420 4.182007       39.64592 
1 1 1 6   1  23 o 191.027 17.169 99.298    17.396  100.582   20.967  96.462    31.161  191.622 20.740 184.784 32.648 6.837921       38.67916 
1 1 1 6   1  25 o 312.588 14.203 263.943   23.802  268.077   33.212  259.578   34.129  313.284 19.876 307.989 20.791 5.294678       28.76316 
1 1 1 6   1  27 o 632.806 23.058 1109.22   78.227  1169.54   110.770 1049.21   110.489 639.123 32.433 602.989 34.319 36.13373       47.22005 
1 1 1 6   1  29 o 344.428 16.604 326.102   30.661  289.174   52.024  345.756   37.953  313.362 31.388 352.061 20.192 -38.69873      37.32176 
1 1 1 6   1  31 f 483.284 17.650 650.927   45.732  659.190   56.197  634.725   78.688  481.584 21.766 456.416 32.367 25.16827       39.00452 
1 1 1 6   1  33 o 53.714  24.183 -4.1582   14.643  -9.8347   16.192  21.320    34.304  52.392  24.271 94.505  39.779 -42.11358      46.59890 
1 1 1 6   1  35 o 68.735  27.700 11.318    15.703  -16.9187  24.837  30.121    20.268  59.902  28.464 93.131  32.742 -33.22881      43.38423 
1 1 1 6   1  37 o 169.351 29.468 99.487    25.783  57.554    54.262  111.715   29.303  101.580 46.066 175.726 32.293 -74.14626      56.25789 
1 1 1 6   1  39 o 89.390  32.382 32.398    19.979  44.043    28.603  21.304    27.918  95.963  37.807 78.477  34.465 17.48619       51.15810 
1 1 1 6   1  41 o 50.740  24.440 -10.9382  19.711  -6.3370   25.526  -17.7345  31.022  57.876  27.861 57.755  28.428 0.1209602      39.80432 
1 1 1 6   2  0  o 399.653 27.649 436.214   58.879  436.214   58.879  0.0000    0.0000  399.653 27.649 ?       ?      0.000000       27.64935 
1 1 1 6   2  2  o 287.280 18.614 223.687   28.515  212.866   40.494  234.331   40.161  278.398 27.489 292.605 25.867 -14.20670      37.74597 
1 1 1 6   2  4  f 239.389 14.434 154.867   18.438  175.241   32.257  144.979   22.471  252.999 24.071 231.016 18.293 21.98235       30.23326 
1 1 1 6   2  6  o 242.294 14.875 158.726   19.229  158.259   23.604  159.648   33.155  241.394 18.377 240.892 26.089 0.5018463      31.91123 
1 1 1 6   2  8  o 461.801 13.888 573.814   34.384  584.611   48.651  563.038   48.602  465.284 19.503 456.557 19.856 8.726685       27.83200 
1 1 1 6   2  10 o 301.546 12.916 244.376   20.881  242.708   29.534  246.044   29.527  299.555 18.480 301.634 18.346 -2.079346      26.04005 
1 1 1 6   2  12 o 161.390 15.520 70.650    13.263  72.144    16.241  67.658    22.981  162.637 18.983 155.781 28.569 6.855316       34.30082 
1 1 1 6   2  14 f 142.020 14.978 54.785    11.233  45.395    18.691  60.094    14.054  127.184 28.155 148.408 18.034 -21.22421      33.43504 
1 1 1 6   2  16 o 360.025 13.198 348.105   25.475  349.544   36.105  346.679   35.950  359.944 18.774 358.463 18.772 1.481110       26.54904 
1 1 1 6   2  18 o 362.665 15.692 353.745   30.511  360.633   53.588  350.441   37.113  363.894 27.675 360.156 19.291 3.738037       33.73480 
1 1 1 6   2  20 o 338.475 15.593 308.371   28.296  323.198   34.889  279.873   48.367  345.680 18.897 319.713 28.517 25.96667       34.20987 
1 1 1 6   2  22 o 164.830 17.523 74.115    15.247  64.766    18.132  96.684    28.173  152.977 22.805 186.124 29.194 -33.14734      37.04527 
1 1 1 6   2  24 o 115.956 19.582 37.437    11.740  30.214    15.566  46.966    17.880  103.176 27.601 128.674 26.789 -25.49766      38.46355 
1 1 1 6   2  26 o 238.809 17.365 156.012   22.081  164.424   35.808  150.850   28.048  241.372 28.203 233.145 22.728 8.226563       36.22099 
1 1 1 6   2  28 o 214.746 18.741 127.918   21.361  144.879   36.258  118.902   26.435  222.410 31.271 204.534 24.601 17.87579       39.78804 
1 1 1 6   2  30 o 283.343 17.565 223.329   26.551  226.525   33.028  217.489   44.640  282.513 21.979 269.172 31.531 13.34003       38.43520 
1 1 1 6   2  32 o 129.162 32.617 53.583    22.592  69.116    29.160  30.259    35.731  143.531 37.485 103.759 41.795 39.77193       56.14209 
1 1 1 6   2  34 o 150.621 28.402 72.614    22.094  59.070    26.431  104.030   40.255  128.184 36.630 161.102 44.919 -32.91771      57.96075 
1 1 1 6   2  36 o 150.805 27.535 75.703    21.442  100.691   36.208  62.207    26.610  152.566 42.623 125.066 37.051 27.49957       56.47546 
1 1 1 6   2  38 o 151.343 30.975 83.299    24.287  84.278    44.948  82.895    28.863  117.289 47.005 140.998 37.522 -23.70847      60.14498 
1 1 1 6   2  40 f 118.157 35.194 62.663    23.961  93.068    32.060  24.189    36.064  134.462 40.860 77.887  36.132 56.57487       54.54429 
1 1 1 6   2  42 o 150.663 35.961 113.185   28.644  107.946   38.061  120.029   43.500  112.117 43.778 107.805 45.049 4.311249       62.81639 
1 1 1 6   3  1  o 514.925 14.202 713.715   39.208  705.253   55.454  722.173   55.442  510.775 20.250 516.918 20.005 -6.142639      28.46560 
1 1 1 6   3  3  o 107.147 12.708 31.312    7.1578  24.213    10.093  38.493    10.152  92.805  20.801 118.376 16.440 -25.57095      26.51334 
1 1 1 6   3  5  o 548.100 20.394 812.514   59.928  869.008   85.043  756.789   84.463  564.589 28.095 525.418 30.110 39.17090       41.18181 
1 1 1 6   3  7  o 273.360 14.820 201.727   21.639  202.426   37.747  201.386   26.409  271.828 26.227 272.648 18.171 -0.8202209     31.90647 
1 1 1 6   3  9  o 398.025 19.305 427.070   41.195  429.531   57.994  424.563   58.528  397.133 27.406 394.720 27.835 2.412292       39.06236 
1 1 1 6   3  11 f 492.292 16.630 651.685   43.893  622.669   75.808  666.318   53.834  478.692 29.685 497.423 20.187 -18.73032      35.89820 
1 1 1 6   3  13 o 803.771 17.369 1736.84   74.849  1676.19   105.847 1797.51   105.858 788.385 25.042 816.583 24.180 -28.19836      34.81044 
1 1 1 6   3  15 o 386.026 13.316 400.170   27.558  403.857   39.004  396.495   38.942  387.460 18.777 383.902 18.920 3.558228       26.65574 
1 1 1 6   3  17 o 214.779 13.423 124.416   15.379  108.395   21.613  140.846   21.887  199.533 20.495 228.053 18.048 -28.52086      27.30899 
1 1 1 6   3  19 o 424.130 20.011 485.221   45.503  495.251   65.108  475.644   63.621  426.181 28.662 417.641 28.585 8.540070       40.47969 
1 1 1 6   3  21 o 251.880 13.643 171.174   18.355  172.554   26.267  169.857   25.660  252.041 19.593 250.103 19.286 1.938004       27.49209 
1 1 1 6   3  23 o 173.947 15.275 82.224    14.101  84.736    18.927  79.089    21.139  175.676 20.480 168.878 24.025 6.797882       31.56912 
1 1 1 6   3  25 o 429.002 16.329 498.961   37.557  431.100   63.375  535.695   46.627  392.351 30.365 443.411 19.614 -51.06067      36.14842 
1 1 1 6   3  27 o 355.787 14.469 344.155   27.600  366.231   38.438  320.660   39.654  364.331 19.752 339.741 21.887 24.58987       29.48213 
1 1 1 6   3  29 o 99.058  31.005 29.022    18.298  18.887    26.616  38.104    25.197  92.434  36.453 112.092 36.526 -19.65748      51.60379 
1 1 1 6   3  31 o 180.825 18.431 92.364    17.618  73.391    24.918  111.331   24.914  153.873 31.271 195.202 24.334 -41.32910      39.62402 
1 1 1 6   3  33 o 117.274 24.863 42.177    15.148  54.212    21.077  29.321    21.784  129.345 30.830 95.867  33.919 33.47767       45.83683 
1 1 1 6   3  35 o 219.291 28.167 156.875   32.351  185.243   42.759  118.898   49.473  225.731 36.584 152.787 51.236 72.94412       62.95671 
1 1 1 6   3  37 o 91.159  30.296 30.124    17.303  36.702    24.222  23.269    24.726  95.813  35.500 82.818  34.230 12.99485       49.31504 
1 1 1 6   3  39 o 105.317 35.594 49.055    23.878  51.576    44.307  48.023    28.347  93.711  42.141 99.416  38.057 -5.704201      56.78176 
1 1 1 6   3  41 o 98.203  34.029 47.858    21.856  48.171    32.954  47.612    29.203  85.919  37.595 88.407  36.924 -2.488716      52.69516 
1 1 1 6   4  0  o 188.369 14.396 96.080    14.429  120.755   25.636  84.639    17.456  209.835 23.175 176.066 18.783 33.76880       29.83064 
1 1 1 6   4  2  o 531.887 15.048 761.946   42.911  769.249   60.719  754.659   60.651  533.190 21.241 528.067 21.423 5.123047       30.16806 
1 1 1 6   4  4  o 499.488 16.517 672.456   44.231  664.897   76.424  676.263   54.237  493.059 29.039 500.220 20.224 -7.160156      35.38740 
1 1 1 6   4  6  o 344.069 27.118 323.316   49.618  0.0000    0.0000  323.316   49.618  ?       ?      344.069 27.118 0.000000       27.11775 
1 1 1 6   4  8  o 367.365 27.335 367.534   53.453  0.0000    0.0000  367.534   53.453  ?       ?      367.365 27.335 0.000000       27.33524 
1 1 1 6   4  10 o 322.070 26.890 282.122   46.007  0.0000    0.0000  282.122   46.007  ?       ?      322.070 26.890 0.000000       26.88981 
1 1 1 6   4  12 o 447.847 13.498 538.561   32.410  519.948   45.835  557.172   45.833  439.641 19.446 455.160 18.782 -15.51871      27.03553 
1 1 1 6   4  14 o 274.038 14.532 202.280   21.274  190.483   25.822  227.208   37.536  265.522 18.250 289.292 24.430 -23.77008      30.49382 
1 1 1 6   4  16 o 317.310 18.484 271.888   31.308  271.888   31.308  0.0000    0.0000  317.310 18.484 ?       ?      0.000000       18.48382 
1 1 1 6   4  18 o 67.803  18.644 12.768    6.9883  10.822    9.3698  15.208    10.491  65.783  22.296 75.302  23.462 -9.518349      32.36634 
1 1 1 6   4  20 o 225.072 14.138 136.810   16.974  123.906   24.210  149.284   23.803  213.066 21.487 234.463 19.102 -21.39659      28.75075 
1 1 1 6   4  22 o 241.255 15.600 157.559   20.070  127.833   33.082  174.871   25.247  214.293 29.583 253.700 18.693 -39.40672      34.99432 
1 1 1 6   4  24 o 472.871 21.105 609.166   53.506  700.481   75.861  518.774   75.477  503.186 28.234 430.345 32.964 72.84167       43.40287 
1 1 1 6   4  26 o 264.775 16.139 191.488   22.801  180.806   27.640  214.236   40.335  255.866 20.317 275.341 27.699 -19.47597      34.35151 
1 1 1 6   4  28 o 60.171  23.690 6.3724    11.224  12.562    12.379  -22.2449  26.617  71.100  25.525 64.793  30.380 6.306801       39.67934 
1 1 1 6   4  30 o 242.432 15.697 162.712   20.293  165.776   28.624  159.617   28.774  240.826 22.428 235.873 23.048 4.953186       32.15899 
1 1 1 6   4  32 o 143.766 21.243 60.339    15.881  32.084    23.011  86.034    21.944  100.645 34.915 169.775 24.844 -69.12977      42.85143 
1 1 1 6   4  34 o 250.349 20.690 185.496   27.521  218.342   33.513  117.461   48.231  268.066 23.557 159.735 50.390 108.3310       55.62433 
1 1 1 6   4  36 o 139.045 26.680 63.873    19.166  69.597    29.030  59.450    25.517  130.235 38.726 123.078 36.234 7.157013       53.03423 
1 1 1 6   4  38 o 106.855 36.542 49.212    25.170  19.093    30.625  111.908   44.185  79.757  35.509 139.241 48.377 -59.48419      60.01012 
1 1 1 6   4  40 o 73.077  31.671 19.815    22.918  0.0033    49.040  25.351    25.923  71.958  35.482 77.320  33.597 -5.361511      48.86454 
1 1 1 6   4  42 o 117.384 36.911 79.034    25.900  96.791    47.824  71.664    30.809  87.424  40.905 96.847  38.880 -9.423363      56.43425 
1 1 1 6   5  1  o 516.151 16.462 717.769   45.553  752.653   79.228  700.541   55.677  525.262 28.238 509.236 20.393 16.02631       34.83165 
1 1 1 6   5  3  f 313.429 13.009 264.104   21.860  276.090   30.981  252.220   30.849  319.517 18.160 305.225 18.945 14.29163       26.24358 
1 1 1 6   5  5  o 355.267 18.857 341.060   35.788  384.465   50.909  298.654   50.320  376.087 25.397 330.579 28.676 45.50760       38.30580 
1 1 1 6   5  7  o 265.879 18.734 191.245   26.534  195.118   37.765  187.469   37.288  267.333 26.706 261.947 26.935 5.385864       37.93061 
1 1 1 6   5  9  o 425.985 28.303 492.324   64.272  492.324   64.272  0.0000    0.0000  425.985 28.303 ?       ?      0.000000       28.30313 
1 1 1 6   5  11 o 327.593 19.141 289.589   33.472  265.542   47.185  313.947   47.490  312.348 28.491 340.194 26.240 -27.84561      38.73337 
1 1 1 6   5  13 o 405.369 27.519 445.590   59.453  0.0000    0.0000  445.590   59.453  ?       ?      405.369 27.519 0.000000       27.51882 
1 1 1 6   5  15 o 316.693 12.420 269.320   21.088  270.137   29.855  268.506   29.791  316.406 17.670 315.444 17.687 0.9615479      25.00113 
1 1 1 6   5  17 o 174.864 14.648 82.783    13.606  75.161    16.345  99.983    24.553  166.012 18.689 190.798 24.574 -24.78548      30.87329 
1 1 1 6   5  19 o 542.624 16.755 793.005   48.744  743.396   83.696  818.468   59.962  521.854 30.041 550.662 20.310 -28.80798      36.26298 
1 1 1 6   5  21 o 110.534 18.519 33.871    10.586  31.358    14.937  36.408    15.006  105.334 26.479 113.580 25.293 -8.246033      36.61761 
1 1 1 6   5  23 o 260.942 16.715 184.917   23.261  216.595   43.293  172.061   27.580  278.953 29.390 250.792 20.697 28.16078       35.94651 
1 1 1 6   5  25 o 162.244 19.191 72.862    16.370  68.881    19.280  83.145    30.986  156.397 23.740 167.896 35.532 -11.49930      42.73267 
1 1 1 6   5  27 o 444.866 16.655 541.816   39.723  545.290   48.267  534.524   69.926  444.066 20.274 430.591 30.487 13.47412       36.61285 
1 1 1 6   5  29 o 206.940 15.564 118.339   17.141  116.067   23.580  120.886   24.962  201.906 22.147 205.614 23.041 -3.708282      31.95869 
1 1 1 6   5  31 o 218.109 19.907 135.551   23.021  205.489   41.888  105.285   27.556  259.049 30.762 186.417 28.475 72.63203       41.91780 
1 1 1 6   5  33 o 228.314 17.665 149.246   21.455  151.672   31.692  147.194   29.151  220.848 27.351 219.780 25.195 1.067947       37.18676 
1 1 1 6   5  35 o 257.641 18.179 194.751   24.949  231.116   36.944  164.261   33.829  269.293 25.909 222.512 29.050 46.78064       38.92542 
1 1 1 6   5  37 o 165.114 40.320 114.025   35.383  114.025   35.383  0.0000    0.0000  165.114 40.320 ?       ?      0.000000       40.31990 
1 1 1 6   5  39 o 69.270  30.105 13.163    20.823  3.8360    33.705  18.921    26.480  70.657  33.453 75.578  33.364 -4.921097      47.24632 
1 1 1 6   5  41 o 73.106  33.458 26.558    29.473  0.0000    0.0000  26.558    29.473  ?       ?      73.106  33.458 0.000000       33.45826 
1 1 1 6   6  0  o 381.157 13.246 390.438   27.067  401.699   38.386  379.300   38.174  386.145 18.542 374.694 19.066 11.45047       26.59497 
1 1 1 6   6  2  o 181.670 15.254 89.367    14.720  92.613    26.543  87.925    17.689  182.892 27.958 179.742 18.627 3.149750       33.59458 
1 1 1 6   6  4  o 187.381 12.611 94.723    12.595  98.000    17.941  91.538    17.687  190.022 17.819 183.541 18.215 6.480652       25.48112 
1 1 1 6   6  6  o 499.405 14.292 669.924   38.267  666.363   54.103  673.489   54.132  497.567 20.281 500.230 20.184 -2.663147      28.61376 
1 1 1 6   6  8  o 812.476 35.640 1789.09   155.247 1789.09   155.247 0.0000    0.0000  812.476 35.640 ?       ?      0.000000       35.64031 
1 1 1 6   6  10 o 1271.50 47.728 4417.12   325.355 4417.12   325.355 0.0000    0.0000  1271.50 47.728 ?       ?      0.000000       47.72775 
1 1 1 6   6  12 o 553.991 21.334 826.112   63.363  826.062   89.631  826.163   89.587  551.987 30.404 552.024 30.387 -0.3723145E-01 42.98629 
1 1 1 6   6  14 o 118.685 20.922 39.052    12.826  40.843    16.426  36.254    20.532  120.688 26.142 114.121 32.172 6.567085       41.45375 
1 1 1 6   6  16 o 418.262 15.572 470.481   34.919  415.993   59.724  498.782   43.042  390.770 28.708 430.356 18.655 -39.58655      34.23713 
1 1 1 6   6  18 o 467.153 16.113 587.434   40.355  569.800   49.182  623.768   70.597  459.580 19.961 478.700 27.625 -19.11966      34.08177 
1 1 1 6   6  20 o 324.483 15.829 283.685   27.537  296.787   48.521  277.459   33.446  329.050 27.763 319.885 19.596 9.164520       33.98252 
1 1 1 6   6  22 o 324.805 16.001 284.976   27.863  329.434   49.243  264.040   33.793  345.896 26.762 311.274 20.362 34.62247       33.62766 
1 1 1 6   6  24 o 272.758 19.963 204.249   28.990  204.249   28.990  0.0000    0.0000  272.758 19.963 ?       ?      0.000000       19.96314 
1 1 1 6   6  26 o 173.131 15.484 82.316    14.220  67.565    19.950  97.552    20.276  153.686 25.077 186.990 20.565 -33.30472      32.43075 
1 1 1 6   6  28 o 512.737 32.681 779.188   89.371  779.188   89.371  0.0000    0.0000  512.737 32.681 ?       ?      0.000000       32.68142 
1 1 1 6   6  30 o 117.098 23.928 40.608    14.515  50.034    21.100  32.140    19.998  126.705 31.255 102.173 32.470 24.53262       45.06808 
1 1 1 6   6  32 o 87.477  28.792 23.602    15.642  7.0493    26.281  32.682    19.464  78.124  33.887 100.410 32.047 -22.28563      46.64030 
1 1 1 6   6  34 o 217.721 23.468 145.413   26.960  158.436   34.003  123.366   44.241  219.589 29.640 168.251 47.153 51.33791       55.69509 
1 1 1 6   6  36 o 124.812 30.143 54.436    19.943  47.409    33.651  58.240    24.760  104.204 41.022 122.900 35.554 -18.69652      54.28495 
1 1 1 6   6  38 o 83.546  32.144 26.490    20.285  -7.3988   35.519  42.894    24.712  69.407  33.269 99.357  36.011 -29.95042      49.02626 
1 1 1 6   6  40 o 114.793 35.475 62.731    24.040  2.7395    40.938  94.308    29.701  69.043  33.707 137.705 38.650 -68.66248      51.28353 
1 1 1 6   7  1  f 635.398 18.343 1085.81   62.488  1081.04   76.610  1095.30   108.013 633.471 22.557 636.112 31.672 -2.641174      38.88353 
1 1 1 6   7  3  o 379.526 19.741 388.477   40.030  346.590   56.961  429.349   56.266  356.931 30.045 398.118 26.513 -41.18652      40.07072 
1 1 1 6   7  5  o 517.384 14.315 718.781   39.707  721.931   56.115  715.623   56.192  518.085 20.203 515.806 20.320 2.278687       28.65378 
1 1 1 6   7  7  o 345.188 13.086 319.845   24.217  333.584   34.284  306.163   34.212  351.832 18.238 336.940 19.016 14.89209       26.34874 
1 1 1 6   7  9  o 411.328 15.882 454.473   35.023  469.021   61.309  447.426   42.671  416.098 27.640 407.914 19.512 8.183624       33.83305 
1 1 1 6   7  11 o 576.254 21.644 893.991   66.867  901.719   94.611  886.279   94.519  576.693 30.711 571.670 30.954 5.022827       43.60436 
1 1 1 6   7  13 f 253.128 16.402 172.981   22.139  128.653   29.823  227.393   33.042  216.720 26.200 289.743 21.422 -73.02348      33.84275 
1 1 1 6   7  15 o 372.019 15.180 372.115   30.277  343.501   36.547  434.722   54.060  356.600 19.187 400.248 25.323 -43.64719      31.77102 
1 1 1 6   7  17 o 323.886 13.889 282.047   24.118  242.887   29.115  367.682   43.054  299.697 18.206 368.349 21.900 -68.65134      28.47939 
1 1 1 6   7  19 o 380.015 15.860 389.040   32.312  433.421   56.586  367.566   39.361  398.463 26.642 368.309 20.008 30.15341       33.31831 
1 1 1 6   7  21 o 320.781 16.008 277.884   27.531  267.036   33.907  298.875   47.166  313.125 20.307 329.439 26.940 -16.31421      33.73661 
1 1 1 6   7  23 o 428.426 16.735 498.241   38.439  488.077   66.821  503.268   46.994  417.336 30.066 429.277 20.419 -11.94077      36.34399 
1 1 1 6   7  25 o 175.017 18.965 84.944    17.511  80.341    35.527  86.421    20.125  161.533 40.963 175.618 21.847 -14.08514      46.42476 
1 1 1 6   7  27 o 229.492 17.050 145.551   20.827  161.381   37.398  138.435   25.076  234.426 30.477 221.911 21.340 12.51532       37.20530 
1 1 1 6   7  29 o 134.300 23.571 52.685    16.353  48.726    21.388  58.256    25.372  125.350 31.781 135.709 34.728 -10.35896      47.07497 
1 1 1 6   7  31 o 132.166 27.267 53.793    18.680  48.398    24.850  60.802    28.324  120.217 35.849 133.275 37.862 -13.05839      52.14109 
1 1 1 6   7  33 o 97.183  41.588 29.028    38.563  29.028    38.563  0.0000    0.0000  97.183  41.588 ?       ?      0.000000       41.58752 
1 1 1 6   7  35 f 46.213  21.990 -13.7461  14.925  -32.1288  29.478  -7.4091   17.308  59.069  28.786 54.209  25.107 4.860004       38.19665 
1 1 1 6   7  37 o 53.660  25.270 -9.9699   18.766  103.891   50.897  -27.8834  20.188  127.208 50.331 47.516  23.297 79.69191       55.46161 
1 1 1 6   7  39 o 87.918  36.805 38.735    29.110  69.655    43.613  13.893    39.092  98.896  43.262 74.881  35.619 24.01414       56.03857 
1 1 1 6   8  0  o 419.077 15.602 471.642   35.055  447.029   42.849  521.448   60.955  407.783 19.599 439.187 26.003 -31.40436      32.56222 
1 1 1 6   8  2  o 582.892 14.855 912.266   46.422  843.533   65.566  981.352   65.734  559.976 21.839 604.136 20.295 -44.15955      29.81338 
1 1 1 6   8  4  o 440.516 13.980 520.944   33.017  517.987   46.695  523.901   46.691  438.944 19.842 441.450 19.728 -2.506256      27.98037 
1 1 1 6   8  6  o 235.915 14.759 150.023   18.573  152.553   32.971  148.848   22.479  236.478 26.459 234.667 18.005 1.810837       32.00377 
1 1 1 6   8  8  o 723.055 16.543 1404.63   64.128  1415.76   90.689  1393.50   90.693  725.108 23.328 719.358 23.516 5.749451       33.12397 
1 1 1 6   8  10 o 1058.73 24.139 3021.51   137.016 3036.77   236.920 3013.85   167.952 1055.55 41.865 1055.90 29.668 -0.3452148     51.31153 
1 1 1 6   8  12 o 510.883 16.704 701.829   45.752  698.615   55.914  708.343   79.588  509.315 20.477 510.818 29.182 -1.502686      35.64964 
1 1 1 6   8  14 o 559.087 16.553 840.895   49.616  840.895   49.616  0.0000    0.0000  559.087 16.553 ?       ?      0.000000       16.55282 
1 1 1 6   8  16 o 794.171 16.793 1698.01   71.501  1675.40   82.371  1767.13   144.013 788.278 19.491 805.087 33.365 -16.80927      38.64046 
1 1 1 6   8  18 o 334.576 28.655 307.051   50.905  307.051   50.905  0.0000    0.0000  334.576 28.655 ?       ?      0.000000       28.65518 
1 1 1 6   8  20 o 184.223 13.497 91.938    13.238  87.050    14.927  109.950   28.654  178.892 15.723 198.563 27.668 -19.67177      31.82376 
1 1 1 6   8  22 o 542.564 15.078 796.986   43.859  847.949   62.152  746.436   61.900  557.162 20.807 522.119 22.113 35.04266       30.36298 
1 1 1 6   8  24 o 63.470  25.108 6.6465    12.664  0.0000    0.0000  6.6465    12.664  ?       ?      63.470  25.108 0.000000       25.10823 
1 1 1 6   8  26 o 378.356 17.031 393.006   34.547  425.687   63.208  379.086   41.253  382.443 31.097 368.847 20.948 13.59592       37.49409 
1 1 1 6   8  28 o 420.564 17.271 489.444   38.943  521.387   48.217  429.516   66.043  430.983 20.867 377.780 32.937 53.20227       38.99089 
1 1 1 6   8  30 o 104.685 28.281 33.981    16.248  32.158    22.270  36.057    23.758  101.298 34.374 106.141 35.506 -4.843330      49.41928 
1 1 1 6   8  32 o 176.994 19.370 91.287    18.081  112.767   28.378  76.608    23.459  188.256 29.052 154.337 29.425 33.91869       41.35005 
1 1 1 6   8  34 o 71.483  30.669 8.6981    21.069  83.942    42.442  -15.9095  24.271  134.190 47.359 59.801  28.335 74.38910       55.18815 
1 1 1 6   8  36 o 134.691 31.938 65.205    22.713  125.565   51.675  50.752    25.286  147.299 52.228 112.493 36.587 34.80560       63.76833 
1 1 1 6   8  38 o 174.443 33.336 118.331   30.040  108.713   43.180  127.352   41.820  131.866 47.631 151.688 46.774 -19.82204      66.75666 
1 1 1 6   9  1  o 763.374 17.078 1565.36   69.895  1497.76   98.792  1633.11   98.900  745.868 24.705 778.976 23.681 -33.10754      34.22201 
1 1 1 6   9  3  o 834.056 20.739 1870.72   92.738  1887.53   160.284 1862.26   113.702 835.181 35.796 831.493 25.506 3.687805       43.95369 
1 1 1 6   9  5  o 1518.49 31.091 6228.79   253.117 5982.92   438.027 6352.04   310.141 1476.01 55.353 1530.64 37.793 -54.63635      67.02448 
1 1 1 6   9  7  o 935.886 19.057 2355.52   95.619  2305.29   135.201 2405.79   135.250 924.292 27.283 944.354 26.713 -20.06158      38.18369 
1 1 1 6   9  9  o 568.046 17.376 867.599   52.918  862.651   92.022  870.044   64.683  563.844 30.555 568.424 21.225 -4.580444      37.20382 
1 1 1 6   9  11 o 1220.53 26.397 4025.09   172.736 3988.01   299.684 4043.54   211.383 1205.03 46.387 1220.94 32.293 -15.91345      56.52043 
1 1 1 6   9  13 o 632.624 14.673 1075.84   49.765  1008.28   57.237  1285.10   100.738 612.087 17.442 689.065 27.269 -76.97784      32.36960 
1 1 1 6   9  15 o 187.097 16.299 94.930    16.186  94.930    16.186  0.0000    0.0000  187.097 16.299 ?       ?      0.000000       16.29890 
1 1 1 6   9  17 o 334.964 16.037 302.357   28.801  299.858   34.920  307.673   50.930  332.570 19.672 334.819 28.648 -2.248169      34.75230 
1 1 1 6   9  19 o 198.635 15.779 107.213   16.666  103.861   19.563  116.084   31.824  194.897 18.962 203.342 30.100 -8.445206      35.57519 
1 1 1 6   9  21 o 429.834 13.299 499.110   30.646  476.218   35.102  572.505   62.852  419.251 15.617 454.835 25.882 -35.58380      30.22820 
1 1 1 6   9  23 o 74.240  21.375 15.538    8.9686  20.619    10.029  -4.7582   20.043  84.908  21.890 65.372  28.934 19.53632       36.28176 
1 1 1 6   9  25 o 309.768 12.087 260.201   20.073  270.615   26.574  246.364   30.632  314.253 15.823 298.242 19.260 16.01108       24.92645 
1 1 1 6   9  27 o 224.980 18.346 141.161   21.936  189.693   44.367  125.460   25.236  250.269 33.942 209.817 22.801 40.45180       40.88895 
1 1 1 6   9  29 o 248.500 18.613 174.263   24.618  216.632   31.532  108.126   39.397  274.911 21.567 177.788 42.000 97.12314       47.21389 
1 1 1 6   9  31 o 163.598 24.620 81.156    20.925  84.173    43.093  80.225    23.936  142.726 47.819 159.117 29.132 -16.39099      55.99400 
1 1 1 6   9  33 o 88.587  30.661 25.623    17.741  23.479    34.390  26.401    20.709  91.836  39.286 89.829  32.903 2.007965       51.24416 
1 1 1 6   9  35 o 217.754 23.197 146.922   26.665  238.298   57.085  121.421   30.157  235.624 46.839 188.674 30.881 46.94931       56.10299 
1 1 1 6   9  37 o 194.211 26.215 127.028   26.598  245.197   62.053  100.430   29.440  203.139 55.432 159.540 35.349 43.59912       65.74419 
1 1 1 6   10 0  f 1135.62 25.069 3474.39   152.632 3399.22   264.107 3512.09   187.027 1117.46 44.083 1140.38 30.590 -22.91626      53.65727 
1 1 1 6   10 2  o 419.260 13.982 471.967   31.428  471.258   44.438  472.677   44.454  418.605 19.800 419.237 19.778 -0.6315308     27.98606 
1 1 1 6   10 4  o 150.501 16.720 61.614    13.263  56.498    15.844  73.592    24.243  143.355 21.259 162.721 28.845 -19.36613      35.83287 
1 1 1 6   10 6  o 792.469 17.438 1688.38   74.088  1677.70   104.759 1699.06   104.795 788.792 24.772 793.825 24.623 -5.033203      34.92768 
1 1 1 6   10 8  o 343.399 15.907 316.955   29.286  329.607   35.739  291.092   51.097  349.460 19.148 326.742 29.487 22.71759       35.15860 
1 1 1 6   10 10 o 537.091 17.302 775.986   49.821  795.602   61.193  737.418   85.804  543.388 21.005 520.712 30.873 22.67657       37.34105 
1 1 1 6   10 12 o 555.785 17.198 831.332   51.245  830.224   62.982  833.503   88.147  554.850 21.172 553.549 29.812 1.301270       36.56506 
1 1 1 6   10 14 o 729.687 23.843 1440.68   93.277  1276.83   131.627 1605.96   132.201 681.956 36.130 767.505 32.128 -85.54828      48.34863 
1 1 1 6   10 16 o 520.478 14.397 729.534   40.174  699.133   46.128  825.017   81.750  509.076 16.901 549.375 27.846 -40.29880      32.57406 
1 1 1 6   10 18 o 288.947 13.069 225.031   20.245  210.557   23.222  270.872   41.328  278.753 15.601 313.900 24.758 -35.14655      29.26388 
1 1 1 6   10 20 o 300.566 15.589 245.434   25.034  234.610   29.946  270.555   45.619  292.843 19.179 311.332 27.617 -18.48962      33.62378 
1 1 1 6   10 22 o 174.156 16.107 83.222    14.869  85.291    17.155  76.975    29.810  175.695 18.490 160.819 35.522 14.87558       40.04608 
1 1 1 6   10 24 f 121.158 22.268 41.982    13.931  52.269    17.041  21.253    24.190  134.759 24.489 93.898  35.341 40.86059       42.99632 
1 1 1 6   10 26 o 281.036 17.527 218.812   26.277  218.812   26.277  0.0000    0.0000  281.036 17.527 ?       ?      0.000000       17.52723 
1 1 1 6   10 28 o 180.570 23.251 94.775    21.986  88.661    29.874  101.999   32.475  167.213 34.469 179.201 35.057 -11.98842      49.16470 
1 1 1 6   10 30 o 116.681 27.028 42.538    16.576  25.558    27.871  51.830    20.618  94.206  37.254 126.694 30.681 -32.48763      48.26174 
1 1 1 6   10 32 o 107.085 30.591 38.178    18.437  123.306   43.346  19.374    20.372  175.984 45.578 82.586  32.089 93.39734       55.74121 
1 1 1 6   10 34 f 184.622 22.082 103.567   21.423  192.300   35.002  50.418    27.090  245.274 27.069 114.182 37.906 131.0927       46.57837 
1 1 1 6   10 36 f 207.225 34.338 160.265   36.814  172.755   63.753  154.016   45.091  153.446 57.447 180.724 46.323 -27.27780      73.79678 
1 1 1 6   10 38 o 85.102  34.634 33.432    24.820  55.010    60.693  29.099    27.199  86.958  42.129 80.975  34.796 5.983116       54.64084 
1 1 1 6   11 1  o 929.438 21.785 2325.87   108.556 2401.09   188.377 2288.47   132.829 940.365 37.365 920.878 26.904 19.48669       46.04298 
1 1 1 6   11 3  o 521.623 14.768 730.917   41.301  734.555   58.390  727.275   58.427  522.374 20.849 519.767 20.967 2.607178       29.56834 
1 1 1 6   11 5  o 696.510 18.841 1305.19   70.355  1345.43   86.326  1225.58   121.410 706.574 22.788 671.411 33.837 35.16388       40.79541 
1 1 1 6   11 7  o 364.800 19.677 359.298   38.342  359.298   38.342  0.0000    0.0000  364.800 19.677 ?       ?      0.000000       19.67715 
1 1 1 6   11 9  o 472.682 17.190 601.130   43.564  615.398   53.135  571.877   76.085  477.861 20.740 458.107 31.164 19.75381       37.43454 
1 1 1 6   11 11 o 271.814 13.914 199.133   20.209  219.424   28.542  178.732   28.619  284.753 18.801 256.546 20.991 28.20718       28.18013 
1 1 1 6   11 13 o 187.658 13.903 95.254    13.889  85.665    19.445  105.240   19.844  176.845 20.915 196.570 19.069 -19.72533      28.30270 
1 1 1 6   11 15 o 409.742 15.711 452.884   34.514  422.100   41.582  521.065   61.883  394.877 19.641 436.205 26.588 -41.32816      33.05621 
1 1 1 6   11 17 o 413.835 13.430 461.969   29.798  438.119   34.100  538.993   61.282  402.529 15.801 442.545 25.942 -40.01627      30.37560 
1 1 1 6   11 19 o 115.599 18.945 37.314    11.335  37.314    11.335  0.0000    0.0000  115.599 18.945 ?       ?      0.000000       18.94489 
1 1 1 6   11 21 o 139.391 19.404 54.188    14.108  60.712    16.760  38.328    26.133  146.946 21.946 115.333 37.167 31.61317       43.16299 
1 1 1 6   11 23 o 216.122 20.942 130.366   23.962  130.366   23.962  0.0000    0.0000  216.122 20.942 ?       ?      0.000000       20.94247 
1 1 1 6   11 25 o 112.139 21.707 36.260    12.579  38.999    14.714  28.827    24.244  115.439 24.531 101.128 35.782 14.31080       43.38396 
1 1 1 6   11 27 o 108.188 24.127 34.838    13.638  26.288    15.100  72.693    31.774  93.371  27.968 147.881 39.376 -54.50907      48.29778 
1 1 1 6   11 29 o 92.680  27.834 26.690    14.941  23.234    16.738  40.247    33.149  87.548  29.800 109.615 41.346 -22.06669      50.96583 
1 1 1 6   11 31 o 103.767 27.703 34.351    15.701  36.453    17.513  25.746    35.437  105.877 29.666 96.486  40.512 9.390701       50.21230 
1 1 1 6   11 33 o 140.208 23.437 60.462    16.995  58.890    21.895  62.845    26.957  131.702 31.443 130.614 36.879 1.088715       48.46350 
1 1 1 6   11 35 o 200.824 27.022 133.063   28.356  197.600   61.296  115.492   31.984  183.713 56.624 176.249 35.082 7.464294       66.61083 
1 1 1 6   12 0  o 1060.08 23.931 3029.99   136.012 3137.38   166.695 2816.08   235.258 1077.29 28.862 1015.35 43.217 61.93481       51.96846 
1 1 1 6   12 2  o 254.881 15.880 175.282   21.592  158.350   26.695  207.311   36.717  241.612 20.812 276.064 25.081 -34.45213      32.59122 
1 1 1 6   12 4  o 310.750 15.914 260.271   26.424  262.364   46.706  259.286   32.045  310.181 28.401 309.753 19.394 0.4283752      34.39104 
1 1 1 6   12 6  o 252.053 16.091 171.538   21.631  186.405   38.199  164.520   26.245  261.033 27.719 246.320 20.048 14.71341       34.20893 
1 1 1 6   12 8  o 305.728 13.903 251.251   22.788  252.508   32.444  250.027   32.014  305.411 19.923 303.926 19.754 1.485168       28.05661 
1 1 1 6   12 10 o 380.683 16.245 390.262   33.155  344.293   57.675  412.952   40.520  354.234 30.672 391.223 19.318 -36.98944      36.24841 
1 1 1 6   12 12 o 361.341 18.749 353.703   36.196  303.264   49.580  411.270   52.967  332.284 28.094 388.026 25.605 -55.74194      38.01144 
1 1 1 6   12 14 o 390.588 16.186 412.127   33.894  405.766   41.168  425.512   59.717  386.297 19.946 392.742 28.556 -6.445435      34.83251 
1 1 1 6   12 16 o 75.991  23.614 15.759    10.636  19.693    12.144  2.8058    22.038  84.111  25.055 75.473  31.831 8.638313       40.50946 
1 1 1 6   12 18 o 123.083 21.996 42.716    13.982  43.642    16.797  40.627    25.232  123.402 26.199 118.708 36.287 4.694206       44.75607 
1 1 1 6   12 20 o 331.792 19.632 302.841   34.768  302.841   34.768  0.0000    0.0000  331.792 19.632 ?       ?      0.000000       19.63245 
1 1 1 6   12 22 o 201.315 14.699 110.914   15.755  104.690   17.882  132.507   33.309  194.784 17.303 213.822 29.872 -19.03775      34.52127 
1 1 1 6   12 24 o 141.795 21.396 57.272    15.760  54.681    18.040  65.619    32.381  136.866 25.524 143.311 40.403 -6.444977      47.79012 
1 1 1 6   12 26 o 263.157 16.831 192.934   23.622  166.958   27.397  268.207   46.637  241.965 21.338 299.473 29.427 -57.50786      36.34897 
1 1 1 6   12 28 o 80.258  25.613 19.128    12.433  19.324    13.477  18.008    32.230  80.912  26.730 92.092  38.649 -11.17970      46.99213 
1 1 1 6   12 30 o 75.711  32.076 8.9291    22.539  4.8404    30.517  13.836    33.432  80.561  35.677 88.542  38.313 -7.981522      52.35232 
1 1 1 6   12 32 o 99.512  30.380 32.969    17.694  32.969    17.694  0.0000    0.0000  99.512  30.380 ?       ?      0.000000       30.38043 
1 1 1 6   12 34 o 87.142  29.007 25.870    15.859  19.523    17.558  54.004    36.964  78.681  29.991 109.163 42.988 -30.48207      52.41579 
1 1 1 6   13 1  o 170.895 15.192 79.136    13.774  73.274    18.880  85.807    20.140  163.358 22.126 177.082 21.666 -13.72429      30.96741 
1 1 1 6   13 3  o 226.954 13.952 138.966   16.894  144.838   23.837  133.040   23.947  231.038 19.424 221.214 20.422 9.824554       28.18420 
1 1 1 6   13 5  o 151.514 15.053 62.358    12.066  48.745    16.835  76.739    17.303  132.143 24.670 167.569 19.632 -35.42662      31.52800 
1 1 1 6   13 7  o 303.838 19.628 250.237   31.803  0.0000    0.0000  250.237   31.803  ?       ?      303.838 19.628 0.000000       19.62819 
1 1 1 6   13 9  o 438.365 14.251 517.456   33.493  518.322   47.358  516.589   47.374  437.742 20.179 437.002 20.220 0.7402954      28.56663 
1 1 1 6   13 11 o 115.125 20.253 36.953    12.044  38.929    13.993  31.304    23.658  117.703 22.999 107.990 35.403 9.713158       42.21785 
1 1 1 6   13 13 o 195.769 16.007 104.298   16.654  99.952    21.103  111.475   27.116  190.581 21.002 200.129 25.878 -9.547409      33.32825 
1 1 1 6   13 15 o 149.614 15.374 61.203    12.157  76.112    18.095  48.938    16.412  165.810 20.814 131.617 24.148 34.19321       31.88049 
1 1 1 6   13 17 o 194.820 17.934 104.200   18.521  104.200   18.521  0.0000    0.0000  194.820 17.934 ?       ?      0.000000       17.93353 
1 1 1 6   13 19 o 254.391 14.803 176.327   20.101  182.547   23.475  159.229   38.920  258.179 17.056 235.021 31.697 23.15796       35.99396 
1 1 1 6   13 21 o 97.072  21.648 27.090    10.979  21.917    11.995  53.816    27.265  87.232  24.590 132.908 36.935 -45.67604      44.37151 
1 1 1 6   13 23 o 86.562  27.649 21.445    14.486  9.6176    16.108  71.454    33.123  71.646  28.326 149.362 40.392 -77.71515      49.33394 
1 1 1 6   13 25 o 180.973 19.335 92.729    18.469  95.556    21.361  84.358    36.760  182.167 22.340 157.578 42.526 24.58965       48.03679 
1 1 1 6   13 27 o 164.010 19.552 77.030    16.853  76.552    18.702  79.096    38.875  162.112 22.093 147.494 45.032 14.61815       50.15986 
1 1 1 6   13 29 o 121.849 39.971 52.256    30.155  52.256    30.155  0.0000    0.0000  121.849 39.971 ?       ?      0.000000       39.97079 
1 1 1 6   13 31 o 129.621 24.187 51.553    16.190  49.136    17.842  62.825    38.529  124.227 27.514 124.510 44.990 -0.2827454     52.73595 
1 1 1 6   13 33 o 245.157 27.249 194.164   35.209  195.562   46.970  192.370   53.194  225.356 40.358 208.704 48.469 16.65186       63.07146 
1 1 1 6   14 0  o 273.952 16.213 202.848   23.706  204.387   40.302  202.035   29.314  272.815 27.948 272.784 20.187 0.3073120E-01  34.47656 
1 1 1 6   14 2  o 234.025 19.770 148.959   24.572  132.522   33.657  167.719   35.958  218.639 29.463 246.834 27.647 -28.19533      40.40340 
1 1 1 6   14 4  o 401.244 14.313 433.458   30.789  416.783   43.170  450.721   43.924  392.011 20.613 408.301 20.066 -16.29034      28.76676 
1 1 1 6   14 6  o 161.615 18.204 71.446    15.498  35.537    27.546  88.079    18.747  115.448 38.218 179.358 19.828 -63.91023      43.05555 
1 1 1 6   14 8  o 365.529 13.975 360.107   27.387  375.144   39.075  345.590   38.395  371.595 19.684 356.496 20.171 15.09866       28.18417 
1 1 1 6   14 10 o 122.433 21.849 41.971    13.816  32.184    28.308  45.031    15.829  111.584 38.724 126.407 24.238 -14.82288      45.68436 
1 1 1 6   14 12 o 274.831 19.439 206.318   28.458  230.893   42.332  186.056   38.440  288.147 27.745 258.235 28.224 29.91214       39.57809 
1 1 1 6   14 14 o 253.378 16.363 174.822   22.110  183.643   28.110  160.512   35.804  258.612 20.441 238.964 28.509 19.64806       35.07976 
1 1 1 6   14 16 o 254.264 17.351 176.773   23.511  186.495   28.971  158.020   40.237  260.046 20.958 234.436 32.921 25.60979       39.02569 
1 1 1 6   14 18 o 165.052 17.712 75.230    15.428  71.518    17.386  88.981    33.464  160.013 20.755 172.191 37.326 -12.17786      42.70836 
1 1 1 6   14 20 o 77.089  26.576 15.619    13.322  14.242    16.064  18.653    23.840  77.915  28.902 90.926  34.879 -13.01179      45.29705 
1 1 1 6   14 22 o 107.668 22.843 33.753    12.777  33.081    14.073  36.912    30.493  105.890 25.160 112.093 40.080 -6.203377      47.32280 
1 1 1 6   14 24 o 122.530 25.824 44.801    16.429  44.801    16.429  0.0000    0.0000  122.530 25.824 ?       ?      0.000000       25.82411 
1 1 1 6   14 26 f 126.884 35.236 52.227    24.824  52.227    24.824  0.0000    0.0000  126.884 35.236 ?       ?      0.000000       35.23646 
1 1 1 6   14 28 o 118.359 34.150 46.046    22.870  56.405    30.091  31.878    35.192  127.362 39.743 103.997 41.623 23.36536       57.54952 
1 1 1 6   14 30 o 195.075 20.824 111.608   21.442  113.758   24.241  103.877   45.971  194.554 23.732 156.831 49.153 37.72319       54.58257 
1 1 1 6   14 32 o 100.719 29.577 34.531    17.021  26.930    18.747  70.201    40.611  89.254  31.478 123.428 45.921 -34.17396      55.67369 
1 1 1 6   15 1  o 60.507  20.979 8.9381    8.3074  9.4975    11.990  8.4215    11.521  67.135  24.956 64.744  24.385 2.391228       34.89208 
1 1 1 6   15 3  o 266.669 13.779 192.120   19.633  178.834   27.339  206.267   28.212  256.123 20.070 275.353 19.231 -19.23013      27.79657 
1 1 1 6   15 5  o 254.992 16.553 176.424   22.507  190.190   27.409  147.923   39.438  264.195 19.488 229.132 33.061 35.06386       38.37704 
1 1 1 6   15 7  o 207.415 20.480 117.978   22.477  117.978   22.477  0.0000    0.0000  207.415 20.480 ?       ?      0.000000       20.48012 
1 1 1 6   15 9  o 262.206 16.273 186.762   22.763  197.003   28.476  168.635   37.885  268.460 19.927 245.428 29.376 23.03149       35.49679 
1 1 1 6   15 11 o 178.379 14.624 86.603    13.862  92.758    19.838  80.730    19.379  183.360 20.533 170.622 21.674 12.73853       29.85535 
1 1 1 6   15 13 o 420.612 13.976 478.552   31.516  517.862   44.940  440.510   44.210  435.796 19.234 400.926 20.638 34.87061       28.21118 
1 1 1 6   15 15 o 290.217 17.951 230.526   27.793  194.587   51.891  244.983   32.912  256.999 38.876 298.211 20.714 -41.21219      44.04972 
1 1 1 6   15 17 o 137.121 40.378 57.192    31.684  0.0000    0.0000  57.192    31.684  ?       ?      137.121 40.378 0.000000       40.37795 
1 1 1 6   15 19 o 269.115 17.997 200.039   25.817  198.161   31.377  203.974   45.428  265.816 22.221 263.058 32.932 2.757690       39.72769 
1 1 1 6   15 21 o 75.447  28.608 13.016    15.923  5.1881    19.056  31.122    28.982  71.010  29.756 105.588 38.886 -34.57816      48.96498 
1 1 1 6   15 23 o 57.095  25.906 -7.3159   17.189  -7.3159   17.189  0.0000    0.0000  57.095  25.906 ?       ?      0.000000       25.90602 
1 1 1 6   15 25 o 118.051 34.024 44.273    22.713  44.273    22.713  0.0000    0.0000  118.051 34.024 ?       ?      0.000000       34.02408 
1 1 1 6   15 27 o 166.967 21.682 81.061    18.951  88.732    21.087  48.852    43.211  173.842 23.204 119.392 46.638 54.44970       52.09164 
1 1 1 6   15 29 o 202.940 22.460 121.989   24.027  129.062   27.700  100.498   48.286  205.948 25.643 152.732 50.603 53.21512       56.72910 
1 1 1 6   15 31 o 67.303  32.746 -34.8560  37.715  0.0000    0.0000  -34.8560  37.715  ?       ?      67.303  32.746 0.000000       32.74588 
1 1 1 6   16 0  o 146.909 19.142 59.467    14.719  78.409    26.661  51.164    17.652  166.053 31.090 134.714 25.372 31.33910       40.12879 
1 1 1 6   16 2  o 291.422 20.604 231.889   31.985  242.751   45.176  220.972   45.292  295.673 28.867 281.405 30.509 14.26862       42.00112 
1 1 1 6   16 4  o 243.891 16.281 161.593   21.166  177.565   26.383  132.753   35.453  255.016 19.444 216.904 31.400 38.11119       36.93289 
1 1 1 6   16 6  o 290.056 16.132 228.363   24.988  250.680   45.060  218.453   30.028  300.206 28.331 282.746 19.937 17.45987       34.64312 
1 1 1 6   16 8  o 332.683 14.197 299.068   25.321  316.887   35.862  281.353   35.758  340.652 19.720 320.545 20.922 20.10699       28.75082 
1 1 1 6   16 10 o 216.669 23.252 130.194   26.588  151.704   34.761  99.864    41.276  232.229 28.519 182.482 42.911 49.74715       51.52314 
1 1 1 6   16 12 o 263.411 15.859 188.988   22.292  221.858   37.738  171.370   27.628  282.228 25.206 249.331 20.860 32.89746       32.71778 
1 1 1 6   16 14 o 276.560 16.733 209.102   24.694  212.911   41.728  207.049   30.633  273.964 28.843 273.659 21.040 0.3043518      35.70176 
1 1 1 6   16 16 o 360.624 14.391 353.733   27.825  356.311   39.889  351.291   38.832  358.555 20.840 356.248 20.417 2.307648       29.17459 
1 1 1 6   16 18 o 154.473 16.894 66.224    13.763  58.363    17.732  78.137    21.828  142.424 24.080 164.630 25.559 -22.20641      35.11591 
1 1 1 6   16 20 o 85.705  32.160 18.002    20.002  18.002    20.002  0.0000    0.0000  85.705  32.160 ?       ?      0.000000       32.15988 
1 1 1 6   16 22 o 208.631 17.477 121.211   19.369  116.053   21.914  139.627   41.407  202.739 20.440 210.686 38.059 -7.946991      43.20035 
1 1 1 6   16 24 o 137.887 22.021 55.058    15.731  46.001    17.865  86.325    33.193  123.285 27.704 162.655 38.637 -39.37022      47.54257 
1 1 1 6   16 26 o 166.916 23.511 81.929    20.456  61.623    24.478  128.953   37.249  138.332 33.386 199.325 36.189 -60.99347      49.23752 
1 1 1 6   16 28 o 146.087 27.517 66.578    20.761  52.506    23.857  110.477   42.139  124.322 34.550 169.513 45.440 -45.19138      57.08362 
1 1 1 6   17 1  o 135.913 19.513 51.188    13.811  28.240    22.188  65.702    17.646  102.727 34.313 153.713 22.043 -50.98592      40.78345 
1 1 1 6   17 3  o 303.626 16.786 250.528   27.219  259.475   33.188  232.143   47.574  308.091 20.205 287.400 31.386 20.69070       37.32670 
1 1 1 6   17 5  o 231.377 17.423 146.072   21.454  140.174   39.863  148.477   25.455  221.019 34.791 232.474 20.638 -11.45462      40.45185 
1 1 1 6   17 7  o 268.348 14.517 195.385   20.808  214.260   29.362  176.342   29.493  279.669 19.709 252.909 21.969 26.76012       29.51427 
1 1 1 6   17 9  o 213.750 17.854 125.215   20.273  107.413   34.314  134.761   25.127  192.149 34.581 220.746 21.504 -28.59715      40.72192 
1 1 1 6   17 11 o 75.047  22.858 15.655    10.025  17.936    15.202  13.900    13.335  82.830  28.399 74.936  26.535 7.894402       38.86683 
1 1 1 6   17 13 o 85.337  27.059 20.319    13.894  40.997    19.941  0.8059    19.371  117.854 31.105 68.588  29.416 49.26598       42.81150 
1 1 1 6   17 15 o 306.080 17.398 257.603   28.433  240.094   34.299  296.067   50.835  293.280 21.973 320.638 29.918 -27.35815      37.12001 
1 1 1 6   17 17 o 135.513 35.061 56.176    25.667  56.176    25.667  0.0000    0.0000  135.513 35.061 ?       ?      0.000000       35.06094 
1 1 1 6   17 19 o 233.576 16.704 150.631   20.780  138.299   23.583  193.463   43.951  222.365 19.995 255.002 32.916 -32.63766      38.51358 
1 1 1 6   17 21 o 335.547 18.118 312.700   32.473  317.336   38.875  301.998   59.066  335.503 21.729 314.714 35.635 20.78864       41.73684 
1 1 1 6   17 23 f 132.420 31.050 54.159    21.661  51.092    26.489  60.349    37.633  125.967 36.870 133.277 44.687 -7.310333      57.93380 
1 1 1 6   17 25 o 89.035  30.125 23.654    17.104  11.461    19.350  67.208    36.572  75.933  30.697 136.956 43.951 -61.02256      53.60938 
1 1 1 6   17 27 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 6   18 0  o 157.451 24.413 69.642    19.941  69.642    19.941  0.0000    0.0000  157.451 24.413 ?       ?      0.000000       24.41331 
1 1 1 6   18 2  o 329.367 16.710 295.197   29.411  292.720   49.846  296.520   36.427  323.182 29.080 328.783 20.772 -5.600891      35.73656 
1 1 1 6   18 4  o 139.429 20.208 54.166    14.666  51.856    24.423  55.468    18.340  132.943 34.101 139.708 25.422 -6.765030      42.53418 
1 1 1 6   18 6  o 349.981 14.529 331.955   27.262  330.612   39.077  333.229   38.051  346.580 21.131 348.231 20.471 -1.650787      29.42114 
1 1 1 6   18 8  o 137.764 23.516 53.801    16.745  39.738    31.322  59.429    19.814  118.963 40.764 143.960 26.654 -24.99725      48.70443 
1 1 1 6   18 10 o 119.580 25.049 41.191    15.544  57.707    30.019  35.139    18.170  138.073 38.893 109.609 30.032 28.46391       49.13780 
1 1 1 6   18 12 o 71.698  25.976 12.325    12.856  30.738    27.824  7.3263    14.496  106.953 38.281 67.220  26.777 39.73327       46.71691 
1 1 1 6   18 14 o 108.031 25.735 34.017    14.693  38.634    19.648  28.161    22.130  114.120 31.213 100.547 34.265 13.57333       46.35030 
1 1 1 6   18 16 o 93.273  24.937 25.308    12.711  26.859    19.712  24.204    16.631  97.398  32.335 92.279  29.640 5.118965       43.86417 
1 1 1 6   18 18 o 104.451 23.238 31.718    12.677  38.379    19.636  26.956    16.601  112.997 31.324 96.054  29.445 16.94377       42.99121 
1 1 1 6   18 20 o 160.488 23.877 74.308    19.918  51.374    23.186  138.900   38.912  129.008 33.297 212.758 35.354 -83.75017      48.56580 
1 1 1 6   18 22 o 99.739  29.695 30.244    17.060  28.527    20.005  34.821    32.671  97.635  32.581 108.848 41.049 -11.21281      52.40779 
1 1 1 6   18 24 o 72.428  30.038 8.2457    19.133  8.2457    19.133  0.0000    0.0000  72.428  30.038 ?       ?      0.000000       30.03754 
1 1 1 6   19 1  o 92.536  23.046 24.505    11.391  32.668    15.212  14.089    17.185  106.371 26.712 79.756  29.832 26.61474       40.04365 
1 1 1 6   19 3  o 62.867  24.662 6.7918    12.123  -4.4285   14.390  34.225    22.501  54.985  24.418 109.430 34.403 -54.44543      42.18742 
1 1 1 6   19 5  o 237.101 17.147 153.970   21.650  203.069   38.155  130.654   26.293  268.615 26.854 216.432 23.012 52.18320       35.36486 
1 1 1 6   19 7  o 54.801  22.861 2.0997    11.176  18.477    16.697  -11.1942  15.043  84.819  29.723 50.962  23.533 33.85777       37.91164 
1 1 1 6   19 9  o 117.897 24.513 39.949    14.989  57.401    19.658  15.713    23.166  141.113 26.967 87.997  34.211 53.11629       43.56186 
1 1 1 6   19 11 o 163.314 18.609 73.981    16.003  61.676    23.974  83.868    21.491  144.511 31.806 172.252 23.917 -27.74031      39.79506 
1 1 1 6   19 13 o 187.733 25.437 100.283   24.943  0.0000    0.0000  100.283   24.943  ?       ?      187.733 25.437 0.000000       25.43689 
1 1 1 6   19 15 o 130.014 26.203 49.209    17.634  33.189    41.619  52.714    19.467  116.391 45.684 134.022 27.996 -17.63144      53.57993 
1 1 1 6   19 17 o 107.269 28.138 34.192    16.383  7.3383    25.085  54.167    21.635  81.243  34.097 134.293 30.716 -53.05020      45.89210 
1 1 1 6   19 19 o 209.157 24.994 126.263   27.472  116.091   35.458  141.539   43.452  193.843 35.424 210.937 39.884 -17.09348      53.34382 
1 1 1 6   19 21 o 74.893  30.460 9.8630    19.184  9.8630    19.184  0.0000    0.0000  74.893  30.460 ?       ?      0.000000       30.46045 
1 1 1 6   20 0  o 223.557 18.648 137.324   22.147  144.104   38.434  133.953   27.098  223.508 33.072 219.253 23.415 4.254684       40.52198 
1 1 1 6   20 2  o 68.190  26.527 8.5243    13.934  3.2397    20.434  13.117    19.050  72.803  30.676 80.823  31.135 -8.020058      43.70766 
1 1 1 6   20 4  o 124.156 24.272 44.011    15.577  54.439    21.505  32.500    22.594  136.677 30.157 107.217 34.560 29.45912       45.86745 
1 1 1 6   20 6  o 336.043 15.023 306.640   27.066  312.565   38.868  301.063   37.713  336.317 21.672 330.161 21.421 6.155853       30.47190 
1 1 1 6   20 8  o 198.887 20.790 109.903   21.841  95.683    26.610  139.259   38.234  182.803 28.047 218.475 33.728 -35.67253      43.86528 
1 1 1 6   20 10 o 117.587 24.203 39.767    14.749  18.687    22.757  55.036    19.368  90.479  34.226 137.866 27.169 -47.38645      43.69890 
1 1 1 6   20 12 o 168.991 20.142 79.799    17.889  103.468   32.988  69.938    21.292  186.440 34.265 155.800 26.436 30.64006       43.27753 
1 1 1 6   20 14 o 258.123 18.513 184.432   25.449  190.309   42.824  181.223   31.643  254.521 32.096 253.415 23.560 1.106003       39.81538 
1 1 1 6   20 16 f 254.139 18.038 179.190   24.417  212.355   41.796  162.007   30.085  269.607 29.392 238.603 23.837 31.00363       37.84288 
1 1 1 6   20 18 o 87.858  32.056 20.544    19.629  0.0000    0.0000  20.544    19.629  ?       ?      87.858  32.056 0.000000       32.05598 
1 1 1 6   21 1  o 112.052 23.569 35.919    13.710  44.927    22.179  30.348    17.443  123.551 32.897 102.644 29.884 20.90733       44.44396 
1 1 1 6   21 3  o 187.878 21.767 98.399    21.519  92.058    39.101  101.154   25.773  173.357 42.417 188.981 26.138 -15.62399      49.82364 
1 1 1 6   21 5  o 161.591 20.397 72.804    17.277  78.412    25.906  68.312    23.186  164.188 30.554 153.479 29.246 10.70901       42.29480 
1 1 1 6   21 7  o 85.506  27.286 20.338    14.111  36.717    21.727  8.3880    18.558  111.923 33.553 74.604  30.096 37.31888       45.07294 
1 1 1 6   21 9  o 77.966  28.511 14.584    15.540  54.262    28.386  -2.3979   18.571  133.528 37.893 64.397  28.199 69.13056       47.23427 
1 1 1 6   21 11 o 134.833 34.370 55.111    24.919  65.884    34.011  42.625    36.615  144.880 41.600 121.707 43.876 23.17285       60.46186 
1 1 1 6   21 13 o 186.574 39.477 108.822   38.256  108.822   38.256  0.0000    0.0000  186.574 39.477 ?       ?      0.000000       39.47677 
1 1 1 6   22 0  o 205.651 20.966 117.613   22.792  119.940   29.234  114.004   36.398  205.238 27.241 195.954 35.971 9.283783       45.12209 
1 1 1 6   22 2  o 124.258 28.853 45.216    18.852  36.013    35.661  48.786    22.210  116.734 43.110 128.223 32.318 -11.48923      53.87893 
1 1 1 6   22 4  o 176.872 22.256 87.889    20.637  80.057    37.939  91.181    24.594  160.024 43.209 178.569 26.493 -18.54445      50.68443 
1 1 1 6   22 6  o 229.862 23.961 148.890   29.095  0.0000    0.0000  148.890   29.095  ?       ?      229.862 23.961 0.000000       23.96095 
1 1 1 7   0  1  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 7   0  3  o 470.743 20.187 599.898   50.734  599.898   50.734  599.898   50.734  470.743 20.187 470.743 20.187 0.000000       0.000000 
1 1 1 7   0  5  o 111.284 20.865 36.610    11.168  36.610    11.168  36.610    11.168  111.284 20.865 111.284 20.865 0.000000       0.000000 
1 1 1 7   0  7  o 29.833  17.941 2.3648    5.1870  2.3648    5.1870  2.3648    5.1870  29.833  17.941 29.833  17.941 0.000000       0.000000 
1 1 1 7   0  9  o 509.901 20.660 702.212   56.267  702.212   56.267  702.212   56.267  509.901 20.660 509.901 20.660 0.000000       0.000000 
1 1 1 7   0  11 o 1124.00 43.544 3431.60   261.508 3431.60   261.508 3431.60   261.508 1124.00 43.544 1124.00 43.544 0.000000       0.000000 
1 1 1 7   0  13 f 373.297 27.666 380.832   54.670  380.832   54.670  380.832   54.670  373.297 27.666 373.297 27.666 0.000000       0.000000 
1 1 1 7   0  15 o 370.160 19.273 370.880   38.011  370.880   38.011  370.880   38.011  370.160 19.273 370.160 19.273 0.000000       0.000000 
1 1 1 7   0  17 o 286.853 18.438 223.693   28.087  223.693   28.087  223.693   28.087  286.853 18.438 286.853 18.438 0.000000       0.000000 
1 1 1 7   0  19 o 302.575 27.433 252.534   43.660  252.534   43.660  252.534   43.660  302.575 27.433 302.575 27.433 0.000000       0.000000 
1 1 1 7   0  21 o 291.282 19.697 231.185   30.437  231.185   30.437  231.185   30.437  291.282 19.697 291.282 19.697 0.000000       0.000000 
1 1 1 7   0  23 o 183.335 21.394 94.109    20.281  94.109    20.281  94.109    20.281  183.335 21.394 183.335 21.394 0.000000       0.000000 
1 1 1 7   0  25 o 344.093 29.314 328.295   53.174  328.295   53.174  328.295   53.174  344.093 29.314 344.093 29.314 0.000000       0.000000 
1 1 1 7   0  27 o 75.463  35.114 22.804    15.779  22.804    15.779  22.804    15.779  75.463  35.114 75.463  35.114 0.000000       0.000000 
1 1 1 7   0  29 o 143.792 30.009 63.232    20.391  63.232    20.391  63.232    20.391  143.792 30.009 143.792 30.009 0.000000       0.000000 
1 1 1 7   0  31 o 90.474  43.842 34.253    24.836  34.253    24.836  34.253    24.836  90.474  43.842 90.474  43.842 0.000000       0.000000 
1 1 1 7   0  33 o 164.081 40.931 88.381    31.153  88.381    31.153  88.381    31.153  164.081 40.931 164.081 40.931 0.000000       0.000000 
1 1 1 7   0  35 o 84.287  51.096 27.166    42.753  27.166    42.753  27.166    42.753  84.287  51.096 84.287  51.096 0.000000       0.000000 
1 1 1 7   0  37 o 63.961  38.097 14.625    22.948  14.625    22.948  14.625    22.948  63.961  38.097 63.961  38.097 0.000000       0.000000 
1 1 1 7   0  39 o 108.324 48.412 51.358    29.899  51.358    29.899  51.358    29.899  108.324 48.412 108.324 48.412 0.000000       0.000000 
1 1 1 7   0  41 o 84.829  46.322 34.356    29.983  34.356    29.983  34.356    29.983  84.829  46.322 84.829  46.322 0.000000       0.000000 
1 1 1 7   1  0  o 760.442 24.090 1569.33   98.215  1616.06   138.997 1522.74   138.797 767.155 33.795 744.147 34.790 23.00818       48.50174 
1 1 1 7   1  2  o 524.760 20.720 745.023   58.293  0.0000    0.0000  745.023   58.293  ?       ?      524.760 20.720 0.000000       20.71980 
1 1 1 7   1  4  o 173.766 14.588 81.870    13.465  81.746    16.509  82.117    23.271  173.115 18.053 171.942 26.061 1.172546       31.70306 
1 1 1 7   1  6  o 424.903 15.895 486.212   36.210  500.695   44.382  457.382   62.621  430.727 19.219 409.022 28.739 21.70517       34.57316 
1 1 1 7   1  8  o 202.339 14.745 110.684   15.886  109.062   19.497  113.886   27.399  200.376 18.353 203.559 25.677 -3.182953      31.56141 
1 1 1 7   1  10 o 417.372 13.663 467.935   30.572  448.401   43.193  487.546   43.278  408.109 19.741 425.621 18.966 -17.51202      27.37527 
1 1 1 7   1  12 o 638.672 15.593 1095.99   53.391  1100.48   75.556  1091.51   75.458  639.238 22.046 636.618 22.108 2.619995       31.22205 
1 1 1 7   1  14 o 500.345 14.381 672.471   38.578  676.785   54.600  668.171   54.516  501.434 20.310 498.223 20.409 3.211090       28.79300 
1 1 1 7   1  16 o 213.210 18.511 123.280   20.950  0.0000    0.0000  123.280   20.950  ?       ?      213.210 18.511 0.000000       18.51148 
1 1 1 7   1  18 o 289.363 12.837 225.019   19.915  218.613   28.157  231.432   28.171  284.227 18.580 292.551 18.049 -8.324219      25.90333 
1 1 1 7   1  20 o 367.114 13.367 362.487   26.308  368.135   37.449  356.984   36.967  368.856 19.002 363.204 19.050 5.651917       26.90682 
1 1 1 7   1  22 o 445.296 14.233 534.248   33.980  522.886   48.015  545.648   48.094  439.369 20.383 448.920 19.983 -9.551453      28.54456 
1 1 1 7   1  24 o 301.491 13.891 245.538   22.454  241.601   31.527  249.589   31.986  297.240 19.899 302.148 19.856 -4.907623      28.11104 
1 1 1 7   1  26 f 487.436 14.866 645.879   38.848  645.368   54.837  646.394   55.042  483.819 21.141 484.163 21.205 -0.3439636     29.94279 
1 1 1 7   1  28 o 76.395  25.712 15.890    12.459  39.124    19.984  1.1180    15.935  113.763 31.624 62.363  26.711 51.40049       41.39516 
1 1 1 7   1  30 o 96.384  29.790 28.134    16.952  28.134    16.952  0.0000    0.0000  96.384  29.790 ?       ?      0.000000       29.78995 
1 1 1 7   1  32 o 63.543  25.507 7.7004    13.259  7.6367    16.285  7.8256    22.837  67.552  27.836 75.476  32.143 -7.924377      42.52113 
1 1 1 7   1  34 o 211.864 20.973 134.382   23.509  125.280   26.889  163.919   48.438  199.471 25.744 197.923 46.447 1.548630       53.10405 
1 1 1 7   1  36 o 120.654 37.084 59.447    26.312  89.217    32.310  0.8291    45.337  145.298 40.144 80.164  38.195 65.13359       55.41117 
1 1 1 7   1  38 o 52.769  24.592 -5.8657   17.010  -31.4905  27.107  10.777    21.846  54.007  26.582 69.177  30.431 -15.16935      40.40596 
1 1 1 7   1  40 o 143.542 30.479 82.397    22.731  70.442    32.270  94.171    32.024  105.917 40.591 129.919 41.068 -24.00206      57.74275 
1 1 1 7   2  1  o 199.479 14.740 107.737   15.653  103.648   19.210  115.814   26.999  195.054 18.595 205.024 25.086 -9.970703      31.22641 
1 1 1 7   2  3  o 205.774 14.431 114.551   15.820  127.162   27.655  108.416   19.288  215.144 24.407 199.605 18.225 15.53911       30.46092 
1 1 1 7   2  5  o 362.432 19.004 355.411   36.799  371.300   52.139  339.642   51.943  368.874 26.542 352.430 27.714 16.44437       38.37374 
1 1 1 7   2  7  o 179.122 12.911 86.669    12.316  92.249    17.419  81.091    17.416  184.211 17.861 172.403 19.166 11.80754       26.19878 
1 1 1 7   2  9  o 292.231 15.148 230.156   23.651  233.019   28.939  224.399   41.044  293.667 18.475 286.858 27.006 6.808624       32.72028 
1 1 1 7   2  11 o 484.068 16.579 629.805   43.027  649.168   52.705  591.117   74.501  491.155 20.015 466.634 29.937 24.52100       36.01188 
1 1 1 7   2  13 o 193.227 14.995 100.901   15.412  105.061   26.333  98.734    19.008  195.706 25.720 190.675 18.841 5.031540       31.88277 
1 1 1 7   2  15 o 313.511 13.072 263.981   21.971  251.324   30.954  276.832   31.191  304.994 19.025 320.250 18.242 -15.25549      26.35748 
1 1 1 7   2  17 o 218.293 15.472 128.803   17.990  144.601   32.025  121.518   21.746  229.654 26.496 211.483 19.396 18.17181       32.83642 
1 1 1 7   2  19 o 204.562 16.670 113.445   18.123  119.758   32.458  110.586   21.845  207.725 30.016 201.362 20.522 6.363403       36.36070 
1 1 1 7   2  21 o 173.616 17.701 82.179    16.246  84.771    19.798  76.834    28.425  175.686 21.465 164.512 33.369 11.17297       39.67650 
1 1 1 7   2  23 o 485.430 16.985 637.527   44.203  657.720   54.188  597.361   76.423  492.014 20.542 464.071 30.893 27.94342       37.09924 
1 1 1 7   2  25 o 180.129 34.625 95.044    32.224  95.044    32.224  0.0000    0.0000  180.129 34.625 ?       ?      0.000000       34.62515 
1 1 1 7   2  27 o 170.001 16.927 79.949    15.223  93.058    20.671  64.417    22.502  181.854 21.626 147.854 29.421 34.00018       36.51434 
1 1 1 7   2  29 o 181.123 20.083 92.786    19.174  89.328    32.706  94.596    23.667  167.702 37.336 180.329 25.166 -12.62798      45.02559 
1 1 1 7   2  31 o 70.421  26.983 11.619    14.259  8.0808    16.080  24.635    30.840  68.407  27.863 97.083  38.926 -28.67508      47.87022 
1 1 1 7   2  33 o 61.175  25.568 5.4628    14.017  -5.8872   16.928  30.222    25.002  55.765  25.459 95.726  35.948 -39.96042      44.04996 
1 1 1 7   2  35 o 138.234 24.713 61.195    17.643  55.991    24.463  66.837    25.470  120.904 35.445 133.244 35.147 -12.33991      49.91670 
1 1 1 7   2  37 o 103.751 34.026 42.926    21.853  37.811    30.914  48.035    30.894  93.561  38.430 102.062 39.555 -8.500763      55.14950 
1 1 1 7   2  39 o 145.721 27.260 76.306    20.514  76.131    28.196  76.504    29.901  126.424 38.297 123.063 39.766 3.361183       55.20880 
1 1 1 7   2  41 o 63.647  32.359 -26.3471  59.255  0.0000    0.0000  -26.3471  59.255  ?       ?      63.647  32.359 0.000000       32.35878 
1 1 1 7   3  0  f 284.352 12.642 217.458   19.272  225.057   27.285  209.892   27.225  288.286 17.740 278.265 18.352 10.02100       25.52446 
1 1 1 7   3  2  o 515.314 16.611 715.658   45.893  740.096   79.849  703.604   56.081  520.533 28.723 510.246 20.501 10.28751       35.28881 
1 1 1 7   3  4  o 475.257 13.757 607.487   35.054  680.628   70.532  583.495   40.396  500.170 26.396 465.482 16.187 34.68866       30.96398 
1 1 1 7   3  6  o 140.982 15.552 54.112    11.559  0.0000    0.0000  54.112    11.559  ?       ?      140.982 15.552 0.000000       15.55162 
1 1 1 7   3  8  o 280.101 14.780 211.434   22.117  197.500   38.058  218.540   27.177  269.021 26.741 284.437 17.913 -15.41589      32.18671 
1 1 1 7   3  10 o 313.144 15.257 263.454   25.614  275.545   44.190  257.336   31.434  318.516 26.107 308.708 19.086 9.808411       32.33944 
1 1 1 7   3  12 o 189.675 12.609 97.007    12.749  104.187   18.113  89.958    17.948  196.105 17.408 181.952 18.663 14.15395       25.52157 
1 1 1 7   3  14 o 591.936 17.281 942.181   54.842  930.440   67.116  965.771   95.135  587.766 21.298 597.501 29.698 -9.735657      36.54596 
1 1 1 7   3  16 o 844.942 17.720 1921.55   80.271  1758.46   113.443 2085.09   113.598 806.350 26.241 878.652 24.115 -72.30206      35.63889 
1 1 1 7   3  18 o 578.573 21.564 903.974   66.889  923.830   95.264  884.667   93.942  581.950 30.641 569.368 30.890 12.58179       43.50969 
1 1 1 7   3  20 o 198.633 21.249 107.884   22.277  84.722    31.929  129.856   31.097  172.628 35.678 216.872 27.354 -44.24431      44.95755 
1 1 1 7   3  22 o 558.620 15.093 841.755   45.202  864.496   64.132  819.303   63.722  564.411 21.194 549.319 21.637 15.09241       30.28741 
1 1 1 7   3  24 o 96.421  33.342 24.198    20.977  0.0000    0.0000  24.198    20.977  ?       ?      96.421  33.342 0.000000       33.34216 
1 1 1 7   3  26 o 228.738 16.798 143.694   20.456  154.864   24.914  120.585   35.836  236.415 19.840 201.919 34.332 34.49614       39.65257 
1 1 1 7   3  28 o 389.497 16.482 417.338   34.418  402.386   41.900  448.357   60.348  379.189 20.689 392.677 28.868 -13.48755      35.51565 
1 1 1 7   3  30 o 305.235 22.527 267.267   36.604  296.388   51.031  236.408   52.532  312.897 30.821 272.807 36.861 40.09030       48.04820 
1 1 1 7   3  32 o 149.344 20.695 65.277    16.125  63.422    21.880  67.483    23.855  141.121 29.851 144.246 31.711 -3.124634      43.55081 
1 1 1 7   3  34 o 45.063  21.318 -11.8171  13.636  -3.1057   16.906  -28.0352  23.067  56.847  25.753 52.845  25.688 4.002071       36.37375 
1 1 1 7   3  36 o 130.533 32.662 62.762    22.802  66.859    31.694  58.366    32.830  122.150 41.009 112.580 41.399 9.570465       58.27176 
1 1 1 7   3  38 o 110.869 31.479 47.730    19.585  37.223    27.817  58.059    27.579  90.987  36.797 111.586 38.251 -20.59919      53.07642 
1 1 1 7   3  40 o 214.689 42.254 237.258   46.903  165.412   62.507  329.835   70.955  112.519 50.365 179.984 61.355 -67.46537      79.37958 
1 1 1 7   4  1  o 414.548 18.921 463.509   42.052  0.0000    0.0000  463.509   42.052  ?       ?      414.548 18.921 0.000000       18.92077 
1 1 1 7   4  3  o 369.960 18.759 369.840   37.086  348.021   52.177  392.118   52.723  357.213 27.455 379.597 26.064 -22.38422      37.85634 
1 1 1 7   4  5  o 759.564 24.392 1558.80   99.332  1527.70   140.832 1589.59   140.124 748.817 35.080 764.139 34.203 -15.32184      48.99441 
1 1 1 7   4  7  o 527.998 20.215 750.624   57.225  0.0000    0.0000  750.624   57.225  ?       ?      527.998 20.215 0.000000       20.21539 
1 1 1 7   4  9  o 278.875 18.716 210.082   27.821  221.037   39.608  199.413   39.087  285.074 26.209 270.469 27.330 14.60501       37.86611 
1 1 1 7   4  11 o 414.810 16.083 462.316   35.768  478.526   62.566  454.447   43.594  420.139 27.936 411.022 19.783 9.117157       34.23096 
1 1 1 7   4  13 o 288.951 13.243 224.204   20.515  207.969   28.999  240.470   29.027  277.319 19.631 298.467 18.227 -21.14810      26.78846 
1 1 1 7   4  15 o 323.285 14.864 280.919   25.763  281.985   31.717  278.850   44.171  323.151 18.383 320.187 25.955 2.964630       31.80540 
1 1 1 7   4  17 o 451.689 16.372 549.105   39.647  541.107   68.929  553.060   48.467  445.582 29.012 452.873 19.962 -7.291504      35.21594 
1 1 1 7   4  19 o 153.539 14.849 64.033    12.071  69.633    17.507  58.959    16.664  159.185 21.029 146.088 21.956 13.09738       30.40166 
1 1 1 7   4  21 o 262.498 19.725 187.489   27.557  0.0000    0.0000  187.489   27.557  ?       ?      262.498 19.725 0.000000       19.72538 
1 1 1 7   4  23 f 169.626 15.771 78.518    14.178  91.358    20.059  65.701    20.042  181.943 20.946 152.796 25.355 29.14740       32.88808 
1 1 1 7   4  25 o 442.824 16.626 534.412   39.472  539.257   48.398  524.788   68.214  443.008 20.377 430.266 29.754 12.74176       36.06280 
1 1 1 7   4  27 o 86.045  25.909 21.316    12.933  23.577    14.734  13.727    26.998  90.350  27.747 88.879  36.141 1.470619       45.56402 
1 1 1 7   4  29 o 166.744 20.296 79.044    17.769  68.782    20.668  108.121   34.791  152.568 26.213 185.102 36.354 -32.53482      44.81913 
1 1 1 7   4  31 o 97.337  33.879 29.411    21.675  36.218    28.431  19.963    33.494  106.111 38.600 94.417  39.498 11.69436       55.22717 
1 1 1 7   4  33 o 200.496 20.832 119.198   22.066  132.698   37.389  111.984   27.333  192.907 37.502 187.385 28.071 5.522430       46.84444 
1 1 1 7   4  35 o 68.191  27.416 11.902    15.343  42.410    22.904  -12.9336  20.666  105.335 34.849 55.566  26.274 49.76881       43.64368 
1 1 1 7   4  37 o 145.041 30.092 75.126    22.633  93.531    36.818  63.948    28.695  137.729 44.088 120.026 38.972 17.70273       58.84362 
1 1 1 7   4  39 o 67.388  29.258 13.141    19.629  7.6099    28.671  18.021    26.929  68.303  31.863 73.339  32.927 -5.036186      45.81968 
1 1 1 7   4  41 o 67.240  31.314 20.025    27.500  49.528    55.656  10.496    31.631  73.335  36.449 63.787  30.784 9.547813       47.70958 
1 1 1 7   5  0  o 448.455 15.891 541.007   38.207  532.271   46.803  558.460   66.152  444.409 19.643 453.278 27.349 -8.869080      33.67264 
1 1 1 7   5  2  o 327.601 15.270 288.556   26.820  324.310   47.020  271.314   32.653  345.454 25.569 316.799 19.317 28.65512       32.04594 
1 1 1 7   5  4  o 772.871 17.155 1606.54   71.084  1647.63   100.586 1565.54   100.470 781.458 24.008 761.620 24.605 19.83893       34.37748 
1 1 1 7   5  6  o 276.954 27.241 209.001   39.925  209.001   39.925  0.0000    0.0000  276.954 27.241 ?       ?      0.000000       27.24126 
1 1 1 7   5  8  o 257.817 18.988 179.694   26.061  169.999   36.813  189.434   36.898  249.453 28.010 263.743 26.451 -14.29019      38.52541 
1 1 1 7   5  10 o 145.451 29.753 59.202    22.419  59.202    22.419  0.0000    0.0000  145.451 29.753 ?       ?      0.000000       29.75273 
1 1 1 7   5  12 o 357.807 27.886 347.816   53.072  347.816   53.072  0.0000    0.0000  357.807 27.886 ?       ?      0.000000       27.88595 
1 1 1 7   5  14 o 528.858 17.232 752.370   48.858  699.436   84.991  778.497   59.711  506.930 31.427 537.546 20.719 -30.61624      37.64199 
1 1 1 7   5  16 o 282.542 12.638 214.483   19.144  209.151   26.940  219.922   27.210  278.087 18.169 285.225 17.884 -7.137817      25.49450 
1 1 1 7   5  18 o 247.145 18.817 165.666   24.746  148.143   33.946  185.539   36.151  231.952 27.854 260.279 26.266 -28.32677      38.28490 
1 1 1 7   5  20 o 510.135 16.793 702.042   45.930  733.632   80.419  686.749   55.953  517.451 29.106 503.719 20.719 13.73276       35.72747 
1 1 1 7   5  22 o 238.047 14.296 153.508   18.161  176.243   25.678  130.756   25.688  254.160 18.982 217.924 22.301 36.23615       29.28546 
1 1 1 7   5  24 o 257.918 14.498 180.895   19.967  189.327   28.447  172.708   28.031  262.088 20.406 250.010 21.110 12.07814       29.36069 
1 1 1 7   5  26 o 614.120 17.847 1035.83   58.761  1053.87   72.032  999.955   101.596 615.803 21.818 586.746 32.422 29.05664       39.07984 
1 1 1 7   5  28 o 257.230 17.227 183.611   23.620  217.213   29.853  127.364   38.625  278.174 20.154 201.969 37.035 76.20473       42.16387 
1 1 1 7   5  30 o 81.913  26.116 19.737    12.929  32.454    19.528  9.8124    17.251  102.009 32.047 72.032  29.031 29.97697       43.24137 
1 1 1 7   5  32 o 152.342 24.025 70.409    18.972  98.909    22.750  5.3211    34.380  180.942 24.047 83.041  37.249 97.90108       44.33657 
1 1 1 7   5  34 o 111.750 27.739 41.601    16.542  25.579    23.588  57.104    23.204  87.695  34.401 125.610 33.739 -37.91471      48.18510 
1 1 1 7   5  36 o 46.013  22.512 -26.0708  18.556  9.9692    21.951  -116.2983 34.732  71.025  30.889 46.407  23.699 24.61884       38.93299 
1 1 1 7   5  38 o 79.613  31.909 24.071    20.715  61.747    35.743  5.0152    25.420  104.490 41.902 67.123  30.849 37.36696       52.03354 
1 1 1 7   5  40 o 131.980 33.670 78.492    23.902  84.497    35.690  73.609    32.185  107.718 42.297 105.159 40.480 2.559486       58.54630 
1 1 1 7   6  1  o 507.712 19.555 693.610   53.229  831.526   75.700  558.727   74.863  555.178 25.433 453.364 30.985 101.8140       40.08633 
1 1 1 7   6  3  o 240.135 14.632 155.447   18.748  152.934   23.097  160.300   32.103  237.808 18.255 242.594 25.043 -4.785706      30.99008 
1 1 1 7   6  5  o 146.900 19.406 59.029    14.910  59.029    14.910  0.0000    0.0000  146.900 19.406 ?       ?      0.000000       19.40612 
1 1 1 7   6  7  o 484.695 29.220 636.354   75.576  636.354   75.576  0.0000    0.0000  484.695 29.220 ?       ?      0.000000       29.22014 
1 1 1 7   6  9  o 329.358 19.374 292.708   34.060  287.980   48.201  297.422   48.134  325.530 27.888 330.942 27.374 -5.412109      39.07778 
1 1 1 7   6  11 o 624.201 31.745 1057.26   105.885 0.0000    0.0000  1057.26   105.885 ?       ?      624.201 31.745 0.000000       31.74472 
1 1 1 7   6  13 o 419.579 19.964 474.087   44.908  429.575   63.531  518.541   63.489  397.149 30.060 437.128 27.226 -39.97888      40.55659 
1 1 1 7   6  15 o 538.668 30.422 790.142   87.499  0.0000    0.0000  790.142   87.499  ?       ?      538.668 30.422 0.000000       30.42241 
1 1 1 7   6  17 o 555.803 17.449 832.237   51.997  843.716   90.635  826.605   63.483  555.987 30.523 553.226 21.403 2.760193       37.27921 
1 1 1 7   6  19 f 204.103 20.822 113.841   22.466  105.837   31.561  122.063   31.987  194.366 31.354 209.570 29.268 -15.20392      42.89122 
1 1 1 7   6  21 o 312.962 15.900 265.345   26.591  247.460   32.439  301.979   46.426  301.219 20.204 330.991 26.381 -29.77133      33.22921 
1 1 1 7   6  23 o 136.881 18.627 51.972    13.314  54.142    16.415  47.799    22.762  138.648 22.882 127.769 32.998 10.87896       40.15536 
1 1 1 7   6  25 o 317.588 14.109 274.184   24.023  295.910   34.303  253.273   33.654  327.270 19.641 302.089 20.908 25.18127       28.68654 
1 1 1 7   6  27 o 37.831  17.899 -10.6836  9.6179  -15.2529  15.851  -8.0209   12.100  49.451  23.268 46.251  21.267 3.200733       31.52270 
1 1 1 7   6  29 o 174.836 25.293 89.864    23.019  114.686   34.040  68.948    31.247  191.269 34.463 144.170 39.334 47.09903       52.29528 
1 1 1 7   6  31 o 81.771  26.759 20.159    13.518  18.072    22.077  21.412    17.099  83.897  33.163 84.835  30.047 -0.9378357     44.75068 
1 1 1 7   6  33 o 93.956  28.712 29.307    15.798  22.164    25.112  33.986    20.324  86.247  34.933 98.772  32.835 -12.52467      47.94208 
1 1 1 7   6  35 o 37.825  19.046 -47.4495  17.659  -71.1851  21.763  -1.6894   30.217  38.744  19.689 71.659  33.183 -32.91542      38.58468 
1 1 1 7   6  37 o 235.365 31.825 202.753   39.129  202.753   39.129  0.0000    0.0000  235.365 31.825 ?       ?      0.000000       31.82476 
1 1 1 7   6  39 o 55.871  26.281 -3.4532   20.194  -64.5642  38.022  20.559    23.834  53.627  27.117 73.278  32.021 -19.65107      41.96003 
1 1 1 7   7  0  o 1116.39 21.031 3352.47   125.879 3304.17   178.001 3400.79   178.038 1106.35 30.010 1122.52 29.583 -16.17029      42.13971 
1 1 1 7   7  2  o 670.873 16.022 1208.84   57.628  1230.17   81.506  1187.53   81.491  676.125 22.485 664.258 22.883 11.86700       32.08084 
1 1 1 7   7  4  o 214.315 15.087 123.946   17.225  118.367   30.675  126.515   20.816  207.625 28.294 216.221 18.124 -8.595764      33.60090 
1 1 1 7   7  6  o 629.372 14.935 1063.68   50.393  1077.25   71.279  1050.11   71.254  632.838 21.009 624.789 21.272 8.049377       29.89733 
1 1 1 7   7  8  o 518.418 20.957 723.122   58.247  689.504   82.379  756.730   82.367  504.262 30.616 528.624 29.176 -24.36212      42.29157 
1 1 1 7   7  10 o 210.964 28.771 122.443   31.692  122.443   31.692  0.0000    0.0000  210.964 28.771 ?       ?      0.000000       28.77068 
1 1 1 7   7  12 o 585.734 31.150 932.521   97.470  0.0000    0.0000  932.521   97.470  ?       ?      585.734 31.150 0.000000       31.15048 
1 1 1 7   7  14 o 871.895 26.230 2056.75   122.610 2126.27   173.445 1987.31   173.349 882.651 36.652 852.789 37.915 29.86285       52.73453 
1 1 1 7   7  16 o 793.369 24.997 1704.18   106.323 1744.09   150.455 1664.37   150.272 798.755 35.134 779.937 35.937 18.81799       50.25809 
1 1 1 7   7  18 o 315.396 14.382 267.807   24.319  254.295   29.339  297.477   43.475  306.457 17.935 330.130 24.743 -23.67303      30.55957 
1 1 1 7   7  20 o 512.169 19.971 711.844   54.838  711.844   54.838  0.0000    0.0000  512.169 19.971 ?       ?      0.000000       19.97106 
1 1 1 7   7  22 o 447.389 13.789 541.328   33.074  560.219   46.896  522.635   46.651  453.215 19.300 437.516 19.888 15.69879       27.71365 
1 1 1 7   7  24 o 124.269 17.028 42.924    11.047  52.253    15.666  33.698    15.579  135.804 22.290 107.517 27.050 28.28696       35.05051 
1 1 1 7   7  26 o 209.656 17.695 121.879   19.704  137.409   35.165  114.772   23.790  215.572 31.344 201.412 22.411 14.16008       38.53182 
1 1 1 7   7  28 o 327.540 14.407 294.483   25.299  356.681   37.419  242.108   34.337  356.431 19.657 291.699 22.121 64.73160       29.59268 
1 1 1 7   7  30 o 132.769 25.650 53.466    17.597  87.851    24.038  13.766    25.830  169.827 27.329 83.807  34.841 86.02023       44.28009 
1 1 1 7   7  32 o 234.716 20.234 161.869   25.213  216.854   33.205  87.001    38.746  268.107 23.333 145.183 45.064 122.9236       50.74643 
1 1 1 7   7  34 o 174.952 20.760 92.166    19.093  116.216   31.782  78.587    23.882  181.714 33.869 152.522 30.274 29.19255       45.42712 
1 1 1 7   7  36 o 113.618 30.959 47.074    19.372  44.994    32.691  48.200    24.050  100.240 40.118 109.268 35.689 -9.028824      53.69466 
1 1 1 7   7  38 o 105.449 40.219 60.855    31.586  84.671    49.801  44.826    40.855  103.614 45.747 88.874  40.168 14.74005       60.87888 
1 1 1 7   8  1  o 549.025 14.641 809.275   43.097  796.623   60.997  821.886   60.899  544.281 20.903 552.873 20.545 -8.592163      29.30984 
1 1 1 7   8  3  o 205.752 13.046 114.082   14.317  98.730    20.280  129.334   20.214  190.570 20.155 218.720 17.381 -28.15024      26.61451 
1 1 1 7   8  5  o 399.487 18.940 429.033   40.566  0.0000    0.0000  429.033   40.566  ?       ?      399.487 18.940 0.000000       18.94036 
1 1 1 7   8  7  o 353.491 15.038 335.641   28.500  336.129   48.852  335.390   35.090  352.088 26.065 352.681 18.624 -0.5924683     32.03496 
1 1 1 7   8  9  o 492.766 15.987 652.602   42.235  685.814   72.535  635.566   51.950  503.239 26.983 485.942 19.940 17.29721       33.55105 
1 1 1 7   8  11 o 878.310 37.482 2101.80   176.497 2101.80   176.497 0.0000    0.0000  878.310 37.482 ?       ?      0.000000       37.48154 
1 1 1 7   8  13 o 945.501 27.531 2420.70   139.561 2444.40   197.415 2397.02   197.322 945.385 38.949 936.000 39.321 9.385254       55.34641 
1 1 1 7   8  15 o 441.902 29.284 532.870   68.986  0.0000    0.0000  532.870   68.986  ?       ?      441.902 29.284 0.000000       29.28416 
1 1 1 7   8  17 o 376.954 29.038 389.826   58.233  389.826   58.233  0.0000    0.0000  376.954 29.038 ?       ?      0.000000       29.03819 
1 1 1 7   8  19 o 220.204 12.480 131.027   14.673  122.182   16.517  164.138   31.957  212.298 14.601 243.948 24.778 -31.65063      28.75960 
1 1 1 7   8  21 o 195.061 16.749 104.034   17.345  99.350    20.751  114.897   31.601  189.592 20.753 200.909 30.278 -11.31705      36.70803 
1 1 1 7   8  23 o 510.687 16.917 711.712   46.318  823.398   80.020  655.437   56.801  540.715 27.696 487.280 21.742 53.43573       35.21100 
1 1 1 7   8  25 o 119.208 19.549 40.225    12.061  48.687    18.120  33.494    16.161  128.768 27.105 106.428 27.960 22.33989       38.94126 
1 1 1 7   8  27 o 369.256 21.236 384.301   41.864  462.328   62.027  319.023   56.734  396.489 29.389 325.381 32.978 71.10800       44.17293 
1 1 1 7   8  29 o 98.853  27.499 30.067    15.105  11.966    37.360  33.604    16.515  92.658  40.297 104.009 28.687 -11.35137      49.46510 
1 1 1 7   8  31 o 107.011 25.516 35.874    14.433  -8.9206   23.919  61.522    18.099  64.289  29.683 141.612 24.739 -77.32226      38.64103 
1 1 1 7   8  33 o 175.976 20.680 92.447    19.139  130.768   30.272  66.931    24.702  200.525 29.000 138.030 33.678 62.49501       44.44366 
1 1 1 7   8  35 o 91.998  32.233 30.520    19.635  75.515    44.656  19.736    21.862  119.604 47.201 80.185  32.554 39.41859       57.33850 
1 1 1 7   8  37 o 267.558 19.686 221.592   28.040  275.132   44.828  187.178   35.939  272.664 31.228 226.605 30.344 46.05844       43.54278 
1 1 1 7   9  0  o 343.875 15.382 317.568   28.359  315.776   49.096  318.465   34.741  341.197 27.061 343.681 18.928 -2.483856      33.02392 
1 1 1 7   9  2  o 778.849 19.750 1631.26   82.469  1587.64   100.907 1719.01   143.114 767.707 24.516 797.163 33.486 -29.45532      41.50145 
1 1 1 7   9  4  o 1028.84 20.615 2848.03   113.708 2855.06   160.811 2841.00   160.804 1028.20 29.172 1025.65 29.243 2.553101       41.30587 
1 1 1 7   9  6  o 315.239 12.452 266.786   21.045  244.876   29.626  289.102   29.900  301.193 18.435 327.502 17.088 -26.30978      25.13674 
1 1 1 7   9  8  f 245.036 16.013 162.075   20.920  146.755   36.953  169.301   25.379  230.878 30.608 250.108 19.070 -19.22925      36.06317 
1 1 1 7   9  10 o 1075.79 23.595 3122.86   136.086 3168.80   236.315 3100.07   166.457 1076.59 40.942 1070.06 29.015 6.533813       50.18092 
1 1 1 7   9  12 f 346.601 19.954 324.825   36.922  313.233   52.286  336.355   52.145  338.694 29.076 351.302 27.916 -12.60733      40.30833 
1 1 1 7   9  14 o 285.710 15.126 220.258   23.088  220.258   23.088  0.0000    0.0000  285.710 15.126 ?       ?      0.000000       15.12634 
1 1 1 7   9  16 o 88.805  18.130 22.061    8.3401  20.160    9.0951  32.104    20.907  84.660  20.301 107.910 33.038 -23.24956      38.77681 
1 1 1 7   9  18 o 76.730  19.208 16.591    7.8834  21.131    8.5172  -10.5457  20.825  86.644  18.870 63.390  28.662 23.25403       34.31564 
1 1 1 7   9  20 o 176.382 19.880 85.915    18.471  81.711    24.263  91.711    28.488  169.697 27.618 178.899 30.813 -9.201874      41.37931 
1 1 1 7   9  22 o 332.302 20.496 304.664   36.337  295.826   51.396  313.497   51.380  322.228 30.099 332.394 29.126 -10.16583      41.88400 
1 1 1 7   9  24 o 297.878 13.967 241.541   22.306  240.715   25.862  243.943   44.075  296.111 16.354 291.234 28.596 4.876617       32.94258 
1 1 1 7   9  26 o 159.055 19.903 71.490    16.601  86.823    31.364  65.523    19.566  166.818 36.116 149.904 25.243 16.91420       44.06265 
1 1 1 7   9  28 f 290.688 17.570 236.870   27.254  269.242   34.820  185.668   43.791  306.895 21.294 242.678 34.641 64.21637       40.66220 
1 1 1 7   9  30 o 210.923 21.606 130.662   24.088  152.562   29.790  89.297    40.940  224.693 25.161 149.916 46.288 74.77737       52.68446 
1 1 1 7   9  32 o 76.643  29.163 16.569    16.583  -4.1986   30.462  25.315    19.769  73.344  33.731 88.694  32.199 -15.34959      46.63212 
1 1 1 7   9  34 o 184.891 27.477 111.147   26.409  129.027   33.877  83.452    42.163  190.431 34.450 131.410 47.114 59.02094       58.36590 
1 1 1 7   9  36 o 143.389 32.696 77.254    24.577  225.305   57.017  43.467    27.238  205.881 51.722 99.396  37.482 106.4858       63.87517 
1 1 1 7   10 1  o 679.850 16.273 1241.96   59.312  1228.98   83.822  1254.98   83.939  675.460 23.147 682.599 22.937 -7.138428      32.58601 
1 1 1 7   10 3  f 602.843 22.050 978.721   71.267  997.173   100.926 960.371   100.647 606.331 31.152 594.889 31.671 11.44208       44.42425 
1 1 1 7   10 5  o 465.952 14.097 583.180   35.215  614.087   49.894  552.500   49.710  477.701 19.481 453.023 20.467 24.67780       28.25638 
1 1 1 7   10 7  f 665.640 15.966 1191.08   56.979  1197.25   80.583  1184.91   80.577  666.432 22.554 662.969 22.670 3.463684       31.97787 
1 1 1 7   10 9  o 354.266 16.024 337.495   30.434  336.789   37.582  338.840   51.874  353.038 19.937 352.828 27.644 0.2098389      34.08367 
1 1 1 7   10 11 o 701.503 18.157 1325.39   68.286  1399.32   119.124 1289.21   83.338  717.594 30.964 690.993 22.496 26.60065       38.27259 
1 1 1 7   10 13 o 356.467 15.989 342.194   30.558  334.720   37.086  358.000   53.929  351.586 19.755 361.859 28.016 -10.27341      34.28043 
1 1 1 7   10 15 o 365.555 15.413 360.307   30.207  360.307   30.207  0.0000    0.0000  365.555 15.413 ?       ?      0.000000       15.41287 
1 1 1 7   10 17 o 227.198 14.302 139.886   17.332  119.161   20.256  196.540   33.489  208.869 18.272 267.236 23.617 -58.36703      29.86061 
1 1 1 7   10 19 o 331.706 16.406 298.638   29.176  313.993   35.537  266.882   51.107  338.679 19.656 307.154 31.480 31.52499       37.11208 
1 1 1 7   10 21 o 174.031 24.658 85.618    22.363  59.826    32.730  108.203   30.627  140.443 40.949 193.602 30.518 -53.15903      51.07003 
1 1 1 7   10 23 o 174.067 14.982 83.193    13.846  71.736    15.858  119.938   28.399  160.428 18.793 204.673 26.502 -44.24423      32.48949 
1 1 1 7   10 25 o 81.262  28.481 17.679    15.331  17.679    15.331  0.0000    0.0000  81.262  28.481 ?       ?      0.000000       28.48073 
1 1 1 7   10 27 o 120.612 23.992 43.129    14.968  35.383    18.525  57.697    25.405  106.713 30.719 133.845 35.005 -27.13219      46.57230 
1 1 1 7   10 29 o 215.335 20.534 134.402   23.419  191.500   48.755  117.278   26.700  235.333 40.079 196.793 25.939 38.53937       47.74046 
1 1 1 7   10 31 o 222.978 26.638 153.887   31.214  204.818   43.332  98.957    45.001  248.700 33.338 151.855 48.755 96.84477       59.06348 
1 1 1 7   10 33 o 47.631  22.391 -10.9805  14.618  -21.0741  26.936  -6.7664   17.404  60.887  29.128 55.233  25.437 5.653645       38.67160 
1 1 1 7   10 35 o 91.286  35.012 32.160    24.021  75.466    31.472  -28.2753  37.179  130.893 40.612 65.856  32.145 65.03672       51.79402 
1 1 1 7   10 37 o 121.064 36.190 66.100    25.303  69.395    62.449  65.453    27.676  91.651  43.979 115.520 38.312 -23.86882      58.32634 
1 1 1 7   11 0  o 1026.09 28.190 2844.56   155.078 3128.48   219.826 2563.28   218.805 1072.57 38.228 969.389 42.101 103.1812       56.86689 
1 1 1 7   11 2  o 760.529 19.648 1556.64   80.115  1584.33   98.257  1501.70   138.378 766.540 23.909 743.890 34.697 22.64996       42.13651 
1 1 1 7   11 4  o 724.094 19.126 1411.08   74.249  1438.72   91.093  1356.36   128.165 730.461 23.260 706.951 33.815 23.51025       41.04273 
1 1 1 7   11 6  o 459.776 15.874 568.363   39.129  543.583   47.677  619.493   68.485  449.271 19.794 477.959 26.835 -28.68835      33.34519 
1 1 1 7   11 8  o 206.306 13.490 114.859   14.839  109.802   20.809  120.091   21.166  200.935 19.564 210.307 18.976 -9.371582      27.25558 
1 1 1 7   11 10 o 307.603 15.749 255.320   25.885  260.725   46.107  252.831   31.279  308.661 28.172 305.611 19.188 3.050232       34.08607 
1 1 1 7   11 12 o 315.003 16.307 268.179   27.446  261.014   33.219  283.589   48.719  310.100 20.089 321.316 28.579 -11.21567      34.93337 
1 1 1 7   11 14 o 157.930 21.453 68.908    17.695  69.794    22.948  67.609    27.789  157.374 28.236 153.392 34.613 3.982101       44.66909 
1 1 1 7   11 16 o 92.153  26.802 23.866    14.038  23.866    14.038  0.0000    0.0000  92.153  26.802 ?       ?      0.000000       26.80250 
1 1 1 7   11 18 o 200.994 17.775 110.739   18.957  120.927   23.369  91.129    32.420  209.188 21.126 176.438 35.502 32.74948       41.31229 
1 1 1 7   11 20 o 270.149 19.955 201.324   28.698  187.367   39.389  217.115   41.897  256.513 29.160 276.581 28.671 -20.06845      40.89383 
1 1 1 7   11 22 o 182.783 24.900 95.148    23.766  95.148    23.766  0.0000    0.0000  182.783 24.900 ?       ?      0.000000       24.89962 
1 1 1 7   11 24 o 46.075  19.764 -0.0039   8.7464  -1.8282   9.6964  7.9610    20.261  46.275  20.317 75.444  31.064 -29.16913      37.11828 
1 1 1 7   11 26 o 111.807 24.810 37.343    14.483  34.715    16.084  48.608    33.303  106.668 27.832 121.344 42.008 -14.67639      50.39125 
1 1 1 7   11 28 o 83.813  33.406 17.087    22.574  34.490    31.220  -1.9819   32.680  104.373 39.943 79.528  35.937 24.84500       53.72951 
1 1 1 7   11 30 o 116.241 29.391 43.581    18.327  43.391    21.363  44.110    35.669  113.717 33.062 110.943 42.638 2.773911       53.95425 
1 1 1 7   11 32 o 120.297 34.876 51.665    23.802  60.808    30.325  36.993    38.413  125.363 39.999 101.981 42.450 23.38240       58.32576 
1 1 1 7   11 34 o 78.289  28.933 19.888    16.068  17.316    18.087  29.520    34.999  75.896  30.012 90.986  39.286 -15.09066      49.43775 
1 1 1 7   12 1  o 603.358 15.627 978.644   50.549  954.790   71.565  1002.39   71.408  595.065 22.432 609.811 21.841 -14.74579      31.30875 
1 1 1 7   12 3  o 562.317 16.904 850.646   50.961  931.499   89.178  811.439   62.100  586.547 28.359 548.660 21.111 37.88660       35.35392 
1 1 1 7   12 5  o 262.121 13.708 185.162   19.197  170.894   27.215  199.292   27.082  250.950 20.405 271.366 18.729 -20.41541      27.69735 
1 1 1 7   12 7  f 211.057 16.397 120.643   18.409  155.513   33.695  105.806   21.979  238.015 26.876 196.851 21.158 41.16408       34.20460 
1 1 1 7   12 9  o 517.388 21.006 723.888   58.267  716.581   81.415  731.559   83.425  511.698 29.806 516.883 30.236 -5.184845      42.45765 
1 1 1 7   12 11 o 349.431 15.741 329.350   29.490  367.287   50.569  309.800   36.302  366.203 25.924 337.653 20.145 28.55023       32.83128 
1 1 1 7   12 13 o 274.249 14.309 203.482   20.966  182.405   29.634  224.604   29.666  258.066 21.618 287.107 19.386 -29.04050      29.03693 
1 1 1 7   12 15 o 500.776 13.951 677.467   37.455  663.040   43.105  721.931   75.675  494.736 16.251 510.479 27.755 -15.74353      32.16243 
1 1 1 7   12 17 o 368.194 14.114 366.977   27.861  378.827   32.199  331.671   55.578  373.552 16.078 342.777 30.563 30.77493       34.53395 
1 1 1 7   12 19 o 147.160 18.944 60.216    14.599  60.216    14.599  0.0000    0.0000  147.160 18.944 ?       ?      0.000000       18.94375 
1 1 1 7   12 21 f 256.067 16.581 180.037   22.642  194.143   27.049  147.021   41.384  264.909 19.175 221.753 36.047 43.15605       40.82938 
1 1 1 7   12 23 o 111.176 20.703 35.451    11.886  38.360    12.978  20.312    29.604  115.397 21.776 96.377  38.306 19.02038       44.06234 
1 1 1 7   12 25 o 189.475 23.210 103.924   23.084  97.065    28.109  118.135   40.458  178.493 30.467 188.476 41.189 -9.983414      51.23256 
1 1 1 7   12 27 o 152.300 21.603 67.658    17.145  67.658    17.145  0.0000    0.0000  152.300 21.603 ?       ?      0.000000       21.60340 
1 1 1 7   12 29 o 288.313 15.094 232.314   23.250  223.678   26.792  258.646   46.783  280.578 17.904 286.568 30.941 -5.989380      35.74809 
1 1 1 7   12 31 o 130.750 26.231 53.770    17.748  53.770    17.748  0.0000    0.0000  130.750 26.231 ?       ?      0.000000       26.23072 
1 1 1 7   12 33 o 103.518 39.961 43.959    31.434  71.764    51.503  27.453    39.682  115.568 48.698 92.209  40.767 23.35884       63.50948 
1 1 1 7   13 0  o 367.403 13.993 362.926   27.563  370.083   39.176  355.909   38.786  369.936 19.825 362.729 20.022 7.206573       28.17613 
1 1 1 7   13 2  o 403.162 16.030 437.552   34.649  477.444   60.302  417.890   42.336  418.685 27.008 393.013 20.160 25.67215       33.70270 
1 1 1 7   13 4  o 385.184 19.746 401.591   40.640  0.0000    0.0000  401.591   40.640  ?       ?      385.184 19.746 0.000000       19.74582 
1 1 1 7   13 6  o 577.227 21.723 902.114   67.225  0.0000    0.0000  902.114   67.225  ?       ?      577.227 21.723 0.000000       21.72265 
1 1 1 7   13 8  o 381.810 16.419 393.427   33.611  405.022   40.855  369.145   59.121  386.318 19.792 365.690 30.431 20.62802       36.30112 
1 1 1 7   13 10 o 490.999 14.451 650.300   38.041  681.460   54.044  619.702   53.555  501.165 20.114 477.685 20.912 23.47986       29.01508 
1 1 1 7   13 12 o 146.501 15.885 58.715    12.277  65.274    17.648  52.564    17.090  153.217 22.126 136.695 24.205 16.52153       32.79344 
1 1 1 7   13 14 o 148.390 36.266 64.656    28.608  64.656    28.608  0.0000    0.0000  148.390 36.266 ?       ?      0.000000       36.26622 
1 1 1 7   13 16 o 131.906 23.424 49.259    15.959  49.259    15.959  0.0000    0.0000  131.906 23.424 ?       ?      0.000000       23.42444 
1 1 1 7   13 18 o 140.277 20.124 55.057    14.701  66.404    18.115  33.163    25.163  153.510 22.694 108.765 36.540 44.74510       43.01400 
1 1 1 7   13 20 o 218.920 20.951 133.762   24.290  133.762   24.290  0.0000    0.0000  218.920 20.951 ?       ?      0.000000       20.95128 
1 1 1 7   13 22 o 341.761 20.379 326.624   37.170  289.650   50.149  371.696   55.369  314.194 30.141 357.124 29.174 -42.92987      41.94718 
1 1 1 7   13 24 o 249.720 17.431 174.158   23.190  163.017   27.577  201.061   42.854  238.916 21.768 257.159 31.757 -18.24329      38.50153 
1 1 1 7   13 26 o 111.273 23.260 36.864    13.430  42.563    14.892  12.047    31.077  119.374 24.099 87.887  37.464 31.48718       44.54562 
1 1 1 7   13 28 o 134.806 26.076 55.446    18.165  55.446    18.165  0.0000    0.0000  134.806 26.076 ?       ?      0.000000       26.07596 
1 1 1 7   13 30 o 69.593  26.856 12.090    14.193  14.869    15.309  -4.9202   37.875  74.213  28.073 80.558  37.250 -6.344269      46.64355 
1 1 1 7   13 32 o 69.951  31.826 0.0219    26.168  21.172    36.524  -22.2841  37.509  88.943  39.228 70.448  33.877 18.49540       51.83146 
1 1 1 7   14 1  o 335.744 16.128 303.951   29.031  302.724   35.795  306.310   49.626  333.942 20.087 333.985 27.972 -0.4266357E-01 34.43725 
1 1 1 7   14 3  o 280.720 16.012 213.242   23.998  240.674   42.890  200.739   28.955  295.760 27.359 271.610 20.026 24.15039       33.90451 
1 1 1 7   14 5  o 374.310 14.073 377.583   28.241  396.675   39.981  358.574   39.895  382.224 19.576 363.109 20.578 19.11502       28.40207 
1 1 1 7   14 7  f 145.550 25.562 59.508    19.219  94.124    30.404  36.470    24.804  182.058 32.334 114.715 36.130 67.34287       48.48521 
1 1 1 7   14 9  o 194.100 17.559 102.863   18.075  105.381   35.246  101.965   21.054  191.426 35.655 192.561 20.720 -1.134552      41.23832 
1 1 1 7   14 11 o 209.281 16.838 119.456   18.733  117.039   23.859  123.340   30.247  205.911 21.951 209.761 27.564 -3.849792      35.23621 
1 1 1 7   14 13 f 448.746 14.535 545.001   34.968  589.784   49.938  501.916   48.981  464.830 20.039 428.297 21.331 36.53326       29.26720 
1 1 1 7   14 15 o 322.883 14.192 282.436   24.568  273.552   35.235  290.841   34.274  315.164 20.973 325.502 19.733 -10.33743      28.79686 
1 1 1 7   14 17 o 283.797 14.740 219.408   22.350  229.440   25.800  189.239   44.739  289.584 16.688 255.151 33.516 34.43327       37.44127 
1 1 1 7   14 19 o 99.125  25.395 28.676    13.557  29.273    15.532  26.767    27.778  99.947  27.913 102.166 37.984 -2.219795      47.13793 
1 1 1 7   14 21 o 182.210 21.905 94.341    20.970  94.341    20.970  0.0000    0.0000  182.210 21.905 ?       ?      0.000000       21.90476 
1 1 1 7   14 23 o 186.377 17.129 97.079    16.924  86.333    18.918  140.149   37.873  174.062 20.676 212.581 34.406 -38.51801      40.14076 
1 1 1 7   14 25 o 56.918  23.902 2.8855    12.338  2.8855    12.338  0.0000    0.0000  56.918  23.902 ?       ?      0.000000       23.90162 
1 1 1 7   14 27 o 138.511 24.499 57.428    17.527  59.460    20.169  51.160    35.423  138.845 28.060 120.736 43.196 18.10875       51.50962 
1 1 1 7   14 29 o 101.800 29.682 33.612    17.197  24.990    19.004  72.597    40.409  89.447  31.677 133.847 46.277 -44.40069      56.08033 
1 1 1 7   14 31 o 78.908  36.931 -4.1256   39.032  0.0000    0.0000  -4.1256   39.032  ?       ?      78.908  36.931 0.000000       36.93098 
1 1 1 7   15 0  o 181.587 15.933 89.699    15.355  76.101    22.241  102.084   21.225  165.023 25.998 192.869 20.859 -27.84586      33.33189 
1 1 1 7   15 2  o 132.412 19.640 48.535    13.520  56.248    25.238  45.430    16.010  139.773 34.004 127.021 24.397 12.75208       41.85082 
1 1 1 7   15 4  o 191.951 21.302 101.368   21.552  101.368   21.552  0.0000    0.0000  191.951 21.302 ?       ?      0.000000       21.30159 
1 1 1 7   15 6  o 491.268 16.759 653.245   44.140  703.414   54.574  558.345   75.059  508.744 20.009 447.792 31.465 60.95139       37.28769 
1 1 1 7   15 8  o 161.267 18.952 71.597    16.073  77.341    30.188  69.324    18.989  163.097 35.529 157.639 23.158 5.458344       42.40988 
1 1 1 7   15 10 o 234.212 14.336 148.874   17.914  160.640   26.133  138.443   24.605  241.868 20.342 224.323 20.692 17.54509       29.01650 
1 1 1 7   15 12 o 330.157 16.177 295.865   28.634  295.965   50.337  295.816   34.816  324.541 29.244 328.537 19.860 -3.995453      35.34975 
1 1 1 7   15 14 o 205.222 18.018 115.767   19.624  97.607    36.968  122.892   23.156  180.257 39.356 210.652 20.774 -30.39539      44.50263 
1 1 1 7   15 16 o 142.173 19.425 56.487    14.419  56.532    23.163  56.459    18.424  138.110 31.922 140.218 25.445 -2.107529      40.82196 
1 1 1 7   15 18 f 136.762 20.393 52.869    14.496  49.833    16.373  63.876    31.175  131.409 24.130 142.866 39.417 -11.45650      46.21657 
1 1 1 7   15 20 o 130.206 21.142 48.497    14.253  48.069    15.849  50.308    32.586  128.578 23.871 126.057 41.560 2.520584       47.92767 
1 1 1 7   15 22 o 152.799 24.186 67.948    19.153  67.948    19.153  0.0000    0.0000  152.799 24.186 ?       ?      0.000000       24.18567 
1 1 1 7   15 24 o 227.677 16.674 144.482   20.212  146.905   23.191  136.827   41.219  228.228 19.130 205.494 38.837 22.73413       43.29244 
1 1 1 7   15 26 o 74.653  28.084 14.080    15.273  24.181    17.816  -13.9217  29.663  89.876  30.744 70.720  32.794 19.15629       44.95128 
1 1 1 7   15 28 o 89.770  30.451 25.253    17.477  24.648    20.143  27.095    35.152  89.607  32.507 97.927  40.672 -8.319878      52.06625 
1 1 1 7   15 30 o 90.291  39.825 20.236    37.653  0.0000    0.0000  20.236    37.653  ?       ?      90.291  39.825 0.000000       39.82544 
1 1 1 7   16 1  o 61.199  21.578 8.9726    8.8089  6.5371    13.228  10.913    11.808  64.863  25.660 68.879  24.904 -4.016571      35.75808 
1 1 1 7   16 3  o 189.108 15.392 97.311    15.470  104.296   21.589  89.939    22.178  194.618 21.025 179.934 23.555 14.68405       31.57353 
1 1 1 7   16 5  o 270.476 14.151 198.147   20.449  199.411   29.388  196.960   28.473  269.841 20.466 268.314 19.936 1.527252       28.57109 
1 1 1 7   16 7  o 176.536 18.446 85.600    17.200  73.598    20.352  115.599   32.176  162.105 24.156 201.728 30.721 -39.62367      39.08016 
1 1 1 7   16 9  o 296.323 14.532 237.664   23.087  234.800   32.701  240.510   32.598  292.301 21.007 295.963 20.674 -3.662384      29.47387 
1 1 1 7   16 11 o 78.284  24.777 16.787    11.654  13.329    18.756  18.961    14.873  80.771  30.948 84.238  28.093 -3.466896      41.79678 
1 1 1 7   16 13 f 127.934 20.355 46.004    13.494  44.174    19.084  47.834    19.083  122.859 29.371 128.136 28.513 -5.276382      40.93449 
1 1 1 7   16 15 o 251.205 16.635 173.286   22.277  157.323   37.454  182.025   27.712  232.752 30.769 255.997 20.359 -23.24568      36.89517 
1 1 1 7   16 17 o 231.126 25.353 152.510   30.900  166.640   46.674  141.486   41.229  232.910 38.739 215.453 37.027 17.45729       53.58822 
1 1 1 7   16 19 o 143.643 34.414 63.608    26.154  63.608    26.154  0.0000    0.0000  143.643 34.414 ?       ?      0.000000       34.41364 
1 1 1 7   16 21 f 149.717 24.118 65.027    18.702  66.612    22.657  61.639    33.128  148.993 29.408 137.447 41.483 11.54573       50.84990 
1 1 1 7   16 23 o 113.437 30.339 39.676    18.811  33.017    22.512  55.082    34.241  103.923 34.557 128.503 42.614 -24.58078      54.86471 
1 1 1 7   16 25 o 187.032 41.836 120.403   40.901  120.403   40.901  0.0000    0.0000  187.032 41.836 ?       ?      0.000000       41.83644 
1 1 1 7   16 27 o 56.151  27.695 -50.6026  29.937  0.0000    0.0000  -50.6026  29.937  ?       ?      56.151  27.695 0.000000       27.69451 
1 1 1 7   17 0  o 80.858  26.028 17.607    12.819  16.244    15.727  20.304    22.125  81.444  28.820 93.028  34.019 -11.58460      44.58555 
1 1 1 7   17 2  o 271.444 16.874 200.555   24.435  168.387   42.895  216.007   29.730  243.019 33.841 280.942 19.866 -37.92285      39.24146 
1 1 1 7   17 4  o 321.294 16.592 280.740   28.482  314.204   50.434  265.069   34.513  335.526 28.301 310.890 20.827 24.63516       35.13817 
1 1 1 7   17 6  o 376.746 16.140 385.136   32.601  459.149   56.771  348.721   39.821  406.616 26.181 356.457 20.929 50.15903       33.51805 
1 1 1 7   17 8  o 119.474 19.604 39.986    12.122  69.375    18.531  18.009    16.026  157.310 22.624 83.807  29.133 73.50277       36.88602 
1 1 1 7   17 10 o 320.523 21.042 283.763   35.959  266.801   48.362  304.735   53.775  306.256 29.833 326.685 31.077 -20.42883      43.07932 
1 1 1 7   17 12 o 179.376 20.660 89.797    19.506  87.750    23.250  94.663    35.842  175.553 25.445 176.247 38.967 -0.6941528     46.53911 
1 1 1 7   17 14 o 169.578 17.248 79.571    15.462  83.251    22.756  76.414    21.075  170.416 25.705 163.487 24.825 6.928207       35.73599 
1 1 1 7   17 16 o 82.190  25.749 19.106    12.617  16.811    16.864  22.024    19.016  81.907  29.738 90.466  31.719 -8.558754      43.47955 
1 1 1 7   17 18 o 61.637  25.293 4.6330    13.375  8.9779    15.120  -11.0038  28.683  69.646  27.472 73.519  33.399 -3.873032      43.24556 
1 1 1 7   17 20 o 170.706 19.687 82.113    17.687  90.986    19.950  49.527    38.233  179.134 21.183 125.572 44.881 53.56130       49.62922 
1 1 1 7   17 22 o 77.123  29.227 14.265    16.613  14.265    16.613  0.0000    0.0000  77.123  29.227 ?       ?      0.000000       29.22687 
1 1 1 7   17 24 o 76.491  28.246 15.354    15.309  3.6245    17.689  50.361    30.559  66.195  28.242 121.682 40.253 -55.48633      49.17255 
1 1 1 7   18 1  o 272.440 17.353 202.695   25.215  190.355   43.195  209.073   31.054  258.458 31.846 275.484 21.188 -17.02615      38.25097 
1 1 1 7   18 3  o 440.952 14.720 527.065   34.800  492.397   48.956  562.472   49.476  422.967 21.662 453.234 20.361 -30.26627      29.72867 
1 1 1 7   18 5  o 297.843 16.615 242.137   26.426  266.015   48.930  232.303   31.400  306.151 30.204 290.439 20.293 15.71164       36.38799 
1 1 1 7   18 7  f 96.624  27.104 26.886    14.610  50.473    28.549  18.516    17.006  130.022 38.340 85.140  29.986 44.88287       48.67311 
1 1 1 7   18 9  o 170.086 17.606 79.873    15.822  87.215    22.983  73.258    21.814  175.302 25.177 159.982 26.350 15.32014       36.44429 
1 1 1 7   18 11 o 198.869 18.189 109.239   19.179  108.400   25.096  110.416   29.735  195.831 24.435 195.574 29.258 0.2569580      38.11941 
1 1 1 7   18 13 o 183.702 17.368 93.192    16.902  95.560    24.405  91.008    23.432  183.036 25.568 178.725 25.149 4.310745       35.86393 
1 1 1 7   18 15 o 94.732  34.923 22.737    23.384  35.795    33.149  9.8032    32.991  113.915 41.643 92.515  38.979 21.39972       57.03962 
1 1 1 7   18 17 o 222.489 19.258 137.926   22.745  124.026   27.056  171.418   41.998  208.377 24.699 239.655 33.611 -31.27771      41.71043 
1 1 1 7   18 19 o 92.492  28.939 25.078    15.943  25.622    18.155  23.248    33.328  93.995  31.023 101.070 40.486 -7.074265      51.00543 
1 1 1 7   18 21 o 160.930 24.577 75.800    20.532  93.642    23.943  26.217    39.914  178.467 25.771 105.654 43.563 72.81284       50.61512 
1 1 1 7   18 23 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 7   19 0  o 233.787 18.392 150.092   22.866  179.454   28.203  93.767    39.063  254.943 20.816 175.580 42.052 79.36223       46.92146 
1 1 1 7   19 2  o 254.878 17.693 177.991   24.027  186.379   29.537  161.582   41.310  259.560 21.417 236.306 33.549 23.25471       39.80210 
1 1 1 7   19 4  o 79.668  26.527 16.963    13.263  25.952    19.703  9.5136    17.936  97.201  32.330 75.192  29.838 22.00838       43.99454 
1 1 1 7   19 6  o 264.008 17.865 191.185   25.137  180.274   31.137  211.604   42.596  254.404 23.080 272.625 29.619 -18.22079      37.54982 
1 1 1 7   19 8  o 178.394 17.686 87.750    16.692  93.026    24.360  83.079    22.919  181.020 25.833 170.905 25.818 10.11412       36.52273 
1 1 1 7   19 10 o 118.940 26.805 41.134    16.683  54.054    32.312  36.439    19.481  133.580 41.102 111.362 31.318 22.21855       51.67386 
1 1 1 7   19 12 f 111.185 25.943 36.002    15.182  8.0489    32.297  43.931    17.201  91.066  38.478 122.747 26.883 -31.68088      46.93899 
1 1 1 7   19 14 o 136.859 22.491 53.400    15.929  51.302    23.334  55.231    21.799  130.353 33.275 136.234 30.594 -5.880478      45.20230 
1 1 1 7   19 16 o 327.724 21.088 300.496   36.855  0.0000    0.0000  300.496   36.855  ?       ?      327.724 21.088 0.000000       21.08779 
1 1 1 7   19 18 o 164.567 20.125 76.647    17.387  119.273   29.415  53.759    21.555  201.370 28.004 132.829 30.857 68.54092       41.67031 
1 1 1 7   19 20 o 56.052  25.426 -6.7939   16.542  -6.7939   16.542  0.0000    0.0000  56.052  25.426 ?       ?      0.000000       25.42551 
1 1 1 7   20 1  o 135.057 26.476 52.347    18.486  86.872    22.921  -11.8896  31.265  175.443 25.082 78.181  35.255 97.26221       43.26732 
1 1 1 7   20 3  o 157.276 20.561 68.944    16.922  77.118    24.585  61.585    23.328  163.638 29.088 145.254 30.905 18.38388       42.44099 
1 1 1 7   20 5  o 249.668 23.156 173.673   30.642  157.102   44.183  189.031   42.534  230.824 36.949 256.562 31.590 -25.73856      48.61216 
1 1 1 7   20 7  o 239.895 15.997 157.385   20.457  190.219   29.479  126.883   28.412  261.975 21.169 211.980 25.512 49.99464       33.15142 
1 1 1 7   20 9  o 281.050 15.531 215.792   23.311  212.382   33.605  218.955   32.363  275.797 22.935 280.647 21.677 -4.850220      31.55772 
1 1 1 7   20 11 o 243.605 17.697 163.551   22.955  180.301   39.363  154.919   28.258  249.754 29.997 234.994 22.712 14.75951       37.62534 
1 1 1 7   20 13 o 42.926  20.691 -20.6525  14.186  0.0000    0.0000  -20.6525  14.186  ?       ?      42.926  20.691 0.000000       20.69075 
1 1 1 7   20 15 o 105.840 35.327 33.109    23.518  0.0000    0.0000  33.109    23.518  ?       ?      105.840 35.327 0.000000       35.32721 
1 1 1 7   21 0  o 161.667 20.948 72.959    17.729  84.044    25.402  62.429    24.757  170.974 28.731 145.579 32.538 25.39468       43.40725 
1 1 1 7   21 2  o 119.516 29.808 41.848    19.035  46.850    35.570  39.840    22.533  127.277 43.441 116.439 33.984 10.83743       55.15495 
1 1 1 7   21 4  o 103.317 34.498 29.838    22.428  38.535    31.742  21.168    31.694  117.336 40.990 101.181 39.818 16.15469       57.14563 
1 1 1 7   21 6  o 107.445 28.589 33.793    16.757  6.1262    30.454  45.807    20.068  87.858  37.257 124.585 30.330 -36.72688      48.04160 
1 1 1 7   21 8  o 283.664 17.800 221.474   26.933  247.057   48.657  210.173   32.339  291.836 31.603 274.341 22.177 17.49460       38.60768 
1 1 1 7   21 10 o 78.939  33.897 2.7509    25.777  2.7509    25.777  0.0000    0.0000  78.939  33.897 ?       ?      0.000000       33.89661 
1 1 1 7   22 1  o 173.389 25.007 85.518    22.574  66.871    42.564  92.816    26.627  146.249 47.464 179.237 28.676 -32.98816      55.45427 
1 1 1 7   22 3  o 100.785 30.462 29.493    17.854  22.573    37.670  31.498    20.276  106.530 42.912 104.212 32.641 2.318039       53.91555 
1 1 1 8   0  0  o 238.988 26.890 159.836   33.332  159.836   33.332  159.836   33.332  238.988 26.890 238.988 26.890 0.000000       0.000000 
1 1 1 8   0  2  o 326.421 27.068 293.240   46.621  293.240   46.621  293.240   46.621  326.421 27.068 326.421 27.068 0.000000       0.000000 
1 1 1 8   0  4  o 455.497 28.606 566.039   69.225  566.039   69.225  566.039   69.225  455.497 28.606 455.497 28.606 0.000000       0.000000 
1 1 1 8   0  6  o 171.898 28.890 85.951    24.365  85.951    24.365  85.951    24.365  171.898 28.890 171.898 28.890 0.000000       0.000000 
1 1 1 8   0  8  o 582.259 30.805 920.433   95.548  920.433   95.548  920.433   95.548  582.259 30.805 582.259 30.805 0.000000       0.000000 
1 1 1 8   0  10 o 679.523 32.701 1251.86   118.507 1251.86   118.507 1251.86   118.507 679.523 32.701 679.523 32.701 0.000000       0.000000 
1 1 1 8   0  12 o 168.686 19.664 79.456    17.153  79.456    17.153  79.456    17.153  168.686 19.664 168.686 19.664 0.000000       0.000000 
1 1 1 8   0  14 f 617.809 22.130 1029.55   73.088  1029.55   73.088  1029.55   73.088  617.809 22.130 617.809 22.130 0.000000       0.000000 
1 1 1 8   0  16 o 273.779 27.295 207.679   39.151  207.679   39.151  207.679   39.151  273.779 27.295 273.779 27.295 0.000000       0.000000 
1 1 1 8   0  18 o 420.424 28.463 482.786   63.482  482.786   63.482  482.786   63.482  420.424 28.463 420.424 28.463 0.000000       0.000000 
1 1 1 8   0  20 o 131.684 23.700 50.932    15.121  50.932    15.121  50.932    15.121  131.684 23.700 131.684 23.700 0.000000       0.000000 
1 1 1 8   0  22 o 227.501 19.304 142.275   23.155  142.275   23.155  142.275   23.155  227.501 19.304 227.501 19.304 0.000000       0.000000 
1 1 1 8   0  24 o 381.373 20.186 395.795   41.010  395.795   41.010  395.795   41.010  381.373 20.186 381.373 20.186 0.000000       0.000000 
1 1 1 8   0  26 o 65.186  38.095 14.423    22.187  14.423    22.187  14.423    22.187  65.186  38.095 65.186  38.095 0.000000       0.000000 
1 1 1 8   0  28 o 43.837  27.758 2.2813    14.051  2.2813    14.051  2.2813    14.051  43.837  27.758 43.837  27.758 0.000000       0.000000 
1 1 1 8   0  30 o 81.168  41.394 27.564    22.680  27.564    22.680  27.564    22.680  81.168  41.394 81.168  41.394 0.000000       0.000000 
1 1 1 8   0  32 o 63.244  35.468 15.739    18.125  15.739    18.125  15.739    18.125  63.244  35.468 63.244  35.468 0.000000       0.000000 
1 1 1 8   0  34 o 107.699 39.507 43.904    21.071  43.904    21.071  43.904    21.071  107.699 39.507 107.699 39.507 0.000000       0.000000 
1 1 1 8   0  36 o 215.646 57.914 168.056   57.863  168.056   57.863  168.056   57.863  215.646 57.914 215.646 57.914 0.000000       0.000000 
1 1 1 8   0  38 o 57.261  36.496 5.9733    24.754  5.9733    24.754  5.9733    24.754  57.261  36.496 57.261  36.496 0.000000       0.000000 
1 1 1 8   0  40 o 101.715 51.241 50.614    34.508  50.614    34.508  50.614    34.508  101.715 51.241 101.715 51.241 0.000000       0.000000 
1 1 1 8   1  1  o 153.864 12.701 64.073    10.384  72.034    21.057  61.515    11.936  161.168 25.194 150.450 14.997 10.71825       29.31983 
1 1 1 8   1  3  o 618.879 17.965 1031.94   59.606  1014.21   103.312 1040.79   72.977  609.494 31.726 620.758 21.928 -11.26367      38.56627 
1 1 1 8   1  5  o 608.250 15.391 994.891   50.191  1044.31   71.016  945.571   70.945  622.280 21.286 591.949 22.355 30.33087       30.86806 
1 1 1 8   1  7  o 664.559 16.009 1187.13   57.039  1185.06   80.620  1189.21   80.711  663.064 22.679 664.225 22.665 -1.161011      32.06250 
1 1 1 8   1  9  o 261.102 12.988 183.039   18.181  195.342   25.718  170.748   25.705  268.951 17.939 251.221 19.231 17.72980       26.29905 
1 1 1 8   1  11 o 683.681 16.176 1256.01   59.294  1261.34   83.846  1250.67   83.861  684.314 22.854 681.398 22.956 2.916199       32.39226 
1 1 1 8   1  13 o 470.996 16.342 596.338   41.267  605.647   50.530  577.694   71.508  474.341 19.870 461.294 29.062 13.04764       35.20546 
1 1 1 8   1  15 o 313.742 18.903 266.037   31.648  0.0000    0.0000  266.037   31.648  ?       ?      313.742 18.903 0.000000       18.90316 
1 1 1 8   1  17 o 614.860 15.568 1017.32   51.320  997.355   72.585  1037.27   72.571  607.582 22.283 619.716 21.842 -12.13422      31.20269 
1 1 1 8   1  19 f 856.395 18.180 1978.64   83.471  1894.36   118.041 2062.94   118.052 835.026 26.367 871.867 25.255 -36.84052      36.51088 
1 1 1 8   1  21 o 391.501 15.591 413.552   32.725  436.566   40.273  368.822   56.145  401.676 18.701 365.798 28.863 35.87790       34.39192 
1 1 1 8   1  23 o 342.397 15.277 317.432   28.044  278.031   34.142  399.153   49.170  318.692 20.085 380.374 24.237 -61.68237      31.47777 
1 1 1 8   1  25 o 268.784 13.937 196.660   20.014  196.875   28.108  196.438   28.505  266.888 19.785 266.463 20.101 0.4252014      28.20458 
1 1 1 8   1  27 o 440.354 31.087 568.595   72.922  568.595   72.922  0.0000    0.0000  440.354 31.087 ?       ?      0.000000       31.08748 
1 1 1 8   1  29 o 147.990 21.852 63.270    16.816  61.771    20.128  66.733    30.598  143.529 27.152 142.137 38.983 1.391891       47.50687 
1 1 1 8   1  31 o 221.941 18.330 140.392   21.616  146.008   26.704  129.719   36.815  222.967 22.653 197.751 36.053 25.21585       42.57945 
1 1 1 8   1  33 o 55.161  24.514 -0.7812   14.530  9.2336    15.757  -57.6795  37.558  66.703  27.421 61.091  30.291 5.611935       40.85961 
1 1 1 8   1  35 o 140.340 24.243 63.172    17.581  65.567    24.145  60.470    25.651  132.490 33.863 123.636 36.309 8.853973       49.64939 
1 1 1 8   1  37 o 69.567  30.220 11.536    20.963  -61.9670  38.646  42.181    24.953  57.449  28.825 98.345  36.103 -40.89579      46.19844 
1 1 1 8   1  39 o 97.938  33.654 44.745    21.355  67.817    32.443  27.107    28.367  104.688 40.546 77.250  34.295 27.43741       53.10450 
1 1 1 8   2  0  o 485.934 14.168 635.137   36.910  643.127   52.253  627.180   52.146  488.168 19.965 482.043 20.177 6.124939       28.38511 
1 1 1 8   2  2  o 343.468 18.769 318.890   34.431  0.0000    0.0000  318.890   34.431  ?       ?      343.468 18.769 0.000000       18.76909 
1 1 1 8   2  4  o 218.303 12.864 128.475   14.989  139.301   30.147  124.921   17.275  225.606 25.364 215.022 15.081 10.58426       29.50895 
1 1 1 8   2  6  o 400.598 13.587 431.071   29.181  436.763   41.375  425.437   41.162  402.827 19.158 397.557 19.312 5.270264       27.20250 
1 1 1 8   2  8  o 154.855 13.819 64.909    11.353  70.001    15.986  59.729    16.124  160.213 18.980 147.505 20.981 12.70834       28.29233 
1 1 1 8   2  10 o 561.512 17.196 847.452   51.766  856.550   89.498  842.878   63.458  562.253 29.796 559.613 21.151 2.640564       36.54016 
1 1 1 8   2  12 o 407.622 15.818 446.497   34.570  417.853   59.545  461.060   42.458  392.246 28.510 413.983 19.129 -21.73755      34.33289 
1 1 1 8   2  14 o 570.331 17.392 875.107   53.181  798.967   91.931  913.403   65.198  541.781 31.789 582.214 20.887 -40.43347      38.03684 
1 1 1 8   2  16 o 435.358 13.821 509.501   32.259  488.231   45.607  530.797   45.636  425.528 19.991 443.793 19.180 -18.26443      27.70418 
1 1 1 8   2  18 o 530.134 17.230 757.319   48.972  723.293   85.001  774.224   59.915  514.226 30.976 535.368 20.874 -21.14142      37.35336 
1 1 1 8   2  20 o 227.270 15.440 139.853   18.701  121.536   22.492  180.885   33.664  211.013 20.125 256.820 24.756 -45.80643      31.90385 
1 1 1 8   2  22 o 175.936 14.769 84.187    13.802  79.544    19.624  88.733    19.417  169.448 22.130 179.491 20.547 -10.04326      30.19810 
1 1 1 8   2  24 o 77.444  24.713 16.391    11.575  36.894    21.378  7.8865    13.768  112.649 33.166 67.048  26.289 45.60155       42.32095 
1 1 1 8   2  26 o 208.679 20.324 121.638   22.450  123.377   30.894  119.692   32.679  206.208 28.725 201.716 31.226 4.491455       42.42855 
1 1 1 8   2  28 o 135.724 20.882 52.754    14.708  60.559    18.569  39.612    24.094  143.775 24.997 112.955 35.613 30.81953       43.51028 
1 1 1 8   2  30 o 142.826 19.634 58.645    14.637  51.961    19.747  66.795    21.805  129.319 29.175 147.448 28.615 -18.12846      40.86598 
1 1 1 8   2  32 o 64.673  27.556 5.1073    16.799  13.825    18.967  -26.6201  36.184  75.748  30.472 70.031  33.571 5.716820       45.33791 
1 1 1 8   2  34 o 197.209 21.033 118.072   21.895  121.785   27.165  111.189   36.988  193.535 26.909 164.291 41.871 29.24409       49.77202 
1 1 1 8   2  36 o 116.921 30.158 49.326    19.028  27.213    28.309  67.549    25.699  86.162  36.195 130.317 35.720 -44.15511      50.85233 
1 1 1 8   2  38 o 186.794 23.548 116.532   23.058  91.134    31.248  146.896   34.166  137.516 39.987 189.831 34.855 -52.31604      53.04543 
1 1 1 8   2  40 o 134.395 31.363 78.129    22.185  102.061   30.489  51.197    32.343  135.003 39.568 85.191  37.262 49.81259       54.35118 
1 1 1 8   3  1  o 193.036 14.422 100.736   14.818  126.915   25.703  87.702    18.136  215.666 22.564 179.412 19.150 36.25475       29.59473 
1 1 1 8   3  3  o 242.811 18.391 159.605   23.764  0.0000    0.0000  159.605   23.764  ?       ?      242.811 18.391 0.000000       18.39128 
1 1 1 8   3  5  f 310.616 18.773 260.539   31.117  0.0000    0.0000  260.539   31.117  ?       ?      310.616 18.773 0.000000       18.77345 
1 1 1 8   3  7  o 354.871 13.264 338.136   25.235  362.848   50.988  330.120   29.041  365.829 26.170 350.537 15.453 15.29233       30.39143 
1 1 1 8   3  9  o 719.719 16.755 1391.99   64.651  1417.55   91.412  1366.41   91.449  725.435 23.504 712.163 23.951 13.27209       33.55717 
1 1 1 8   3  11 o 551.555 14.627 817.119   43.253  801.726   61.157  832.525   61.182  545.768 20.901 556.193 20.518 -10.42554      29.28856 
1 1 1 8   3  13 o 250.414 15.155 169.143   20.251  179.741   24.844  148.160   34.957  257.843 18.087 232.319 28.674 25.52431       33.90203 
1 1 1 8   3  15 o 357.627 13.393 343.687   25.678  311.921   36.187  375.905   36.444  339.616 19.962 373.629 18.193 -34.01312      27.00883 
1 1 1 8   3  17 o 220.998 14.107 131.879   16.628  103.061   20.148  193.422   29.444  194.501 19.588 266.889 20.740 -72.38829      28.52827 
1 1 1 8   3  19 o 176.860 13.955 84.704    13.124  69.005    18.381  101.033   18.746  158.127 22.301 192.611 18.376 -34.48413      28.89645 
1 1 1 8   3  21 o 382.451 16.188 395.150   33.192  455.002   58.826  367.196   40.202  406.717 27.133 367.270 20.499 39.44693       34.00634 
1 1 1 8   3  23 o 301.414 19.078 248.683   30.670  228.254   42.394  271.119   44.426  285.289 28.081 311.699 26.847 -26.40964      38.84927 
1 1 1 8   3  25 o 172.661 17.708 82.478    16.160  77.702    19.836  91.902    27.867  165.815 22.926 177.432 30.387 -11.61624      38.06601 
1 1 1 8   3  27 o 163.159 16.633 73.973    14.346  76.501    20.128  71.363    20.454  163.117 23.710 156.790 25.185 6.326859       34.58928 
1 1 1 8   3  29 o 160.986 39.684 86.170    34.032  86.170    34.032  0.0000    0.0000  160.986 39.684 ?       ?      0.000000       39.68383 
1 1 1 8   3  31 o 371.465 33.374 445.142   65.757  445.142   65.757  0.0000    0.0000  371.465 33.374 ?       ?      0.000000       33.37442 
1 1 1 8   3  33 o 170.626 28.452 95.048    25.111  88.408    30.465  109.118   44.347  154.401 37.235 153.899 48.284 0.5026093      60.97371 
1 1 1 8   3  35 o 165.608 28.462 92.497    24.360  71.771    33.306  116.339   35.721  126.218 42.036 169.393 39.977 -43.17408      58.01054 
1 1 1 8   3  37 o 124.476 30.676 57.847    20.340  51.096    25.826  68.874    33.007  106.910 36.994 116.149 41.682 -9.239288      55.73094 
1 1 1 8   3  39 o 147.531 35.813 98.627    28.041  101.307   31.426  88.162    62.113  139.866 39.933 89.642  43.230 50.22433       58.85132 
1 1 1 8   4  0  o 253.255 12.998 172.731   17.589  157.697   24.855  187.813   24.895  241.235 19.381 263.609 17.718 -22.37424      26.25942 
1 1 1 8   4  2  o 783.162 24.146 1654.69   101.382 1734.01   143.766 1576.21   142.990 799.353 33.546 761.698 35.015 37.65424       48.49121 
1 1 1 8   4  4  o 549.650 21.059 813.260   62.057  841.288   87.912  785.422   87.613  557.157 29.536 538.092 30.495 19.06488       42.45393 
1 1 1 8   4  6  o 474.309 16.742 604.535   42.572  594.823   74.090  609.323   52.017  468.349 29.660 475.904 20.387 -7.554718      35.99060 
1 1 1 8   4  8  o 586.786 15.165 924.803   47.708  981.192   96.105  906.362   54.958  602.737 29.741 580.705 17.653 22.03204       34.58483 
1 1 1 8   4  10 o 520.772 20.855 729.865   58.226  694.300   82.272  765.555   82.417  505.907 30.475 531.603 29.027 -25.69641      42.08676 
1 1 1 8   4  12 o 288.335 14.888 223.984   22.936  207.035   28.234  256.878   39.333  276.711 19.149 307.687 24.035 -30.97653      30.73020 
1 1 1 8   4  14 o 413.423 15.965 459.686   35.385  403.018   43.402  572.015   61.107  386.070 21.048 459.437 24.901 -73.36691      32.60535 
1 1 1 8   4  16 o 129.837 17.429 46.204    11.826  44.765    13.927  49.924    22.390  127.117 21.180 132.821 31.854 -5.703743      38.25264 
1 1 1 8   4  18 o 239.343 13.220 154.536   16.898  148.180   23.637  161.181   24.167  233.549 19.044 243.708 18.638 -10.15886      26.64630 
1 1 1 8   4  20 o 476.305 20.394 614.822   52.078  0.0000    0.0000  614.822   52.078  ?       ?      476.305 20.394 0.000000       20.39380 
1 1 1 8   4  22 o 128.544 25.985 47.067    17.292  46.767    26.823  47.280    22.621  126.979 37.083 127.586 32.868 -0.6069565     49.55266 
1 1 1 8   4  24 o 170.834 14.792 79.875    13.414  76.069    19.262  83.459    18.691  164.510 22.424 173.052 20.547 -8.541382      30.41375 
1 1 1 8   4  26 o 90.034  25.233 23.625    12.669  22.703    15.750  25.314    21.324  89.319  28.861 95.842  33.590 -6.523003      44.28605 
1 1 1 8   4  28 o 105.611 26.800 33.546    15.200  36.119    17.984  27.113    28.438  108.691 29.918 100.204 38.175 8.487129       48.50204 
1 1 1 8   4  30 o 189.599 17.290 101.571   17.382  97.593    24.775  105.428   24.394  179.921 26.476 188.360 24.756 -8.438873      36.24644 
1 1 1 8   4  32 o 152.444 44.729 94.999    38.942  0.0000    0.0000  94.999    38.942  ?       ?      152.444 44.729 0.000000       44.72890 
1 1 1 8   4  34 o 91.213  28.197 28.259    15.187  12.977    20.793  45.733    22.235  73.818  31.015 110.673 34.102 -36.85516      46.09684 
1 1 1 8   4  36 o 100.146 36.455 42.014    25.365  42.014    25.365  0.0000    0.0000  100.146 36.455 ?       ?      0.000000       36.45475 
1 1 1 8   4  38 o 167.651 32.143 110.387   27.839  136.722   32.215  32.724    55.323  183.543 33.990 82.421  39.999 101.1223       52.49027 
1 1 1 8   4  40 o 86.656  32.126 38.603    19.842  40.697    28.596  36.659    27.555  79.688  34.941 77.641  34.165 2.047661       48.86839 
1 1 1 8   5  1  o 950.027 18.887 2427.19   96.200  2478.49   136.077 2375.92   136.017 958.538 26.479 938.370 27.036 20.16840       37.84323 
1 1 1 8   5  3  o 481.083 16.289 621.834   42.013  647.728   73.123  609.074   51.331  489.122 28.001 475.836 20.121 13.28632       34.48082 
1 1 1 8   5  5  o 477.694 13.645 612.629   34.945  612.464   49.448  612.794   49.393  477.266 19.325 477.397 19.298 -0.1307678     27.31056 
1 1 1 8   5  7  o 546.925 29.800 810.037   87.052  0.0000    0.0000  810.037   87.052  ?       ?      546.925 29.800 0.000000       29.80027 
1 1 1 8   5  9  o 609.902 31.442 1008.53   102.462 1008.53   102.462 0.0000    0.0000  609.902 31.442 ?       ?      0.000000       31.44202 
1 1 1 8   5  11 o 84.987  24.439 19.914    11.731  33.948    16.497  5.5594    16.684  109.982 27.927 70.314  28.476 39.66805       39.88446 
1 1 1 8   5  13 o 236.068 19.377 151.085   24.308  144.231   34.497  157.843   34.256  229.042 28.725 240.076 27.088 -11.03326      39.48261 
1 1 1 8   5  15 o 696.336 18.715 1306.54   69.868  1246.57   121.408 1336.23   85.433  676.347 33.482 703.362 22.656 -27.01465      40.42640 
1 1 1 8   5  17 o 257.981 14.709 179.676   20.261  153.139   33.739  194.643   25.338  235.963 27.166 268.131 17.726 -32.16872      32.43741 
1 1 1 8   5  19 o 384.787 15.380 399.189   31.728  390.207   38.559  418.022   55.834  379.873 18.933 390.609 26.824 -10.73676      32.83287 
1 1 1 8   5  21 o 101.240 35.085 26.473    23.233  26.473    23.233  0.0000    0.0000  101.240 35.085 ?       ?      0.000000       35.08466 
1 1 1 8   5  23 o 259.842 14.103 183.556   19.574  209.247   27.778  158.220   27.586  276.000 18.886 238.839 21.783 37.16115       28.83003 
1 1 1 8   5  25 o 340.040 20.144 320.874   36.560  320.874   36.560  0.0000    0.0000  340.040 20.144 ?       ?      0.000000       20.14395 
1 1 1 8   5  27 o 266.851 15.022 195.975   21.403  201.360   30.509  190.758   30.034  266.940 21.500 259.603 21.781 7.337036       30.60502 
1 1 1 8   5  29 f 167.146 17.875 78.978    15.770  85.657    22.812  72.865    21.826  169.613 25.908 155.450 27.178 14.16331       37.54771 
1 1 1 8   5  31 o 257.588 23.298 198.086   31.826  231.023   43.595  160.502   46.569  268.509 30.844 208.016 43.171 60.49208       53.05716 
1 1 1 8   5  33 o 68.172  30.524 2.1138    22.977  -60.5716  35.766  46.164    29.982  58.274  29.005 107.626 39.564 -49.35234      49.05735 
1 1 1 8   5  35 o 48.526  22.274 -4.9151   13.194  5.0221    20.635  -11.7887  17.161  66.402  29.375 50.736  23.976 15.66568       37.91759 
1 1 1 8   5  37 o 106.231 30.372 43.109    18.166  45.463    27.602  41.310    24.128  98.261  37.569 96.787  35.506 1.473518       51.69185 
1 1 1 8   5  39 o 100.053 33.519 47.961    21.174  36.460    30.969  58.056    29.015  80.277  35.727 97.867  38.220 -17.58968      52.31804 
1 1 1 8   6  0  o 1354.27 24.003 4938.51   174.275 4840.31   246.453 5036.74   246.470 1337.61 34.366 1364.72 33.686 -27.11548      48.12270 
1 1 1 8   6  2  o 1473.00 25.837 5846.17   204.045 5622.96   288.547 6069.42   288.578 1440.61 37.359 1497.29 35.949 -56.68835      51.84640 
1 1 1 8   6  4  o 413.031 12.853 457.890   28.462  434.660   40.252  481.116   40.250  402.134 18.670 423.133 17.742 -20.99930      25.75606 
1 1 1 8   6  6  o 250.417 16.722 169.227   22.322  169.227   22.322  0.0000    0.0000  250.417 16.722 ?       ?      0.000000       16.72234 
1 1 1 8   6  8  o 547.560 30.284 812.770   88.558  0.0000    0.0000  812.770   88.558  ?       ?      547.560 30.284 0.000000       30.28424 
1 1 1 8   6  10 o 479.573 20.536 619.244   52.800  583.022   74.650  655.505   74.691  463.194 30.226 491.621 28.460 -28.42642      41.51593 
1 1 1 8   6  12 o 586.198 21.847 926.546   68.662  916.706   97.079  936.396   97.126  580.484 31.309 586.791 30.983 -6.306702      44.04787 
1 1 1 8   6  14 o 147.221 32.507 61.228    24.972  0.0000    0.0000  61.228    24.972  ?       ?      147.221 32.507 0.000000       32.50714 
1 1 1 8   6  16 o 180.705 21.641 89.471    20.549  78.995    28.667  100.543   29.471  167.289 33.134 190.010 29.919 -22.72119      44.64354 
1 1 1 8   6  18 o 196.475 13.058 104.343   13.677  84.740    18.938  125.710   19.772  175.788 20.478 215.127 17.289 -39.33907      26.80050 
1 1 1 8   6  20 o 265.177 20.102 192.228   28.367  184.070   39.915  200.552   40.321  256.592 29.555 268.347 28.461 -11.75546      41.03070 
1 1 1 8   6  22 f 163.423 17.637 73.561    15.208  89.434    19.155  46.499    25.011  179.672 20.238 125.699 35.533 53.97301       40.89253 
1 1 1 8   6  24 o 180.410 17.915 90.091    17.099  88.366    21.260  93.251    28.774  176.908 22.956 178.210 31.255 -1.301971      38.77993 
1 1 1 8   6  26 o 168.410 16.363 78.659    14.588  72.519    21.599  83.808    19.781  157.502 26.521 171.665 21.999 -14.16348      34.45705 
1 1 1 8   6  28 o 296.722 16.837 245.151   26.675  289.925   45.753  222.094   32.832  313.380 27.510 278.614 22.163 34.76624       35.32737 
1 1 1 8   6  30 o 93.092  27.127 27.059    14.367  28.906    19.003  24.593    21.952  95.333  31.752 90.698  33.758 4.635620       46.34428 
1 1 1 8   6  32 o 219.190 17.271 138.565   20.131  166.755   29.392  113.657   27.629  233.457 23.816 187.885 28.307 45.57245       36.99319 
1 1 1 8   6  34 o 64.777  30.115 -6.6445   25.265  15.897    42.914  -18.6016  31.256  87.560  40.183 65.540  31.360 22.02044       50.97211 
1 1 1 8   6  36 o 84.878  29.599 26.091    16.548  62.424    25.804  0.7131    21.566  122.404 36.538 63.029  28.760 59.37556       46.49844 
1 1 1 8   6  38 f 99.166  34.535 46.068    22.523  -6.7536   33.741  88.525    30.250  64.582  31.318 132.616 39.554 -68.03347      50.45129 
1 1 1 8   7  1  o 1205.95 21.946 3912.43   141.893 3761.28   200.651 4063.64   200.684 1180.15 31.713 1227.01 30.507 -46.85486      44.00399 
1 1 1 8   7  3  o 345.099 15.930 319.870   29.473  290.037   51.543  334.363   35.925  326.495 29.773 352.167 19.099 -25.67151      35.37220 
1 1 1 8   7  5  o 500.474 14.164 672.554   38.005  667.452   53.771  677.646   53.724  498.150 20.133 501.954 19.963 -3.803894      28.35297 
1 1 1 8   7  7  o 374.566 15.011 376.888   30.145  398.116   37.164  336.060   51.540  384.792 18.015 351.767 27.549 33.02478       32.91624 
1 1 1 8   7  9  o 191.999 29.603 102.002   29.493  0.0000    0.0000  102.002   29.493  ?       ?      191.999 29.603 0.000000       29.60278 
1 1 1 8   7  11 o 489.403 29.663 651.256   77.464  0.0000    0.0000  651.256   77.464  ?       ?      489.403 29.663 0.000000       29.66336 
1 1 1 8   7  13 o 655.058 22.802 1158.67   80.081  1201.97   113.395 1115.59   113.110 664.911 31.810 639.388 33.110 25.52264       45.91416 
1 1 1 8   7  15 o 684.291 23.322 1266.85   85.562  1308.19   121.067 1225.60   120.940 692.336 32.617 668.872 33.835 23.46344       46.99644 
1 1 1 8   7  17 o 442.296 20.526 529.461   48.673  535.011   68.963  523.951   68.707  441.517 29.300 436.837 29.510 4.680115       41.58525 
1 1 1 8   7  19 o 234.410 19.446 150.191   24.218  161.276   36.667  141.613   32.255  240.233 29.060 225.484 27.233 14.74911       39.82591 
1 1 1 8   7  21 o 206.041 16.125 115.952   17.671  106.097   21.199  138.393   31.989  195.905 20.487 221.567 27.522 -25.66226      34.30959 
1 1 1 8   7  23 o 443.053 14.326 533.550   34.030  545.180   48.366  522.148   47.888  444.790 20.282 435.149 20.527 9.640289       28.85666 
1 1 1 8   7  25 o 132.102 24.101 50.508    16.440  0.0000    0.0000  50.508    16.440  ?       ?      132.102 24.101 0.000000       24.10093 
1 1 1 8   7  27 o 164.837 35.687 85.834    30.624  0.0000    0.0000  85.834    30.624  ?       ?      164.837 35.687 0.000000       35.68687 
1 1 1 8   7  29 o 137.134 19.752 54.432    14.103  87.668    22.806  33.852    17.945  170.716 25.715 103.288 30.380 67.42814       39.80247 
1 1 1 8   7  31 o 130.466 34.404 59.339    24.408  59.339    24.408  0.0000    0.0000  130.466 34.404 ?       ?      0.000000       34.40351 
1 1 1 8   7  33 o 92.825  27.932 28.650    15.036  35.824    25.796  24.958    18.504  98.745  36.625 86.726  31.200 12.01888       48.11283 
1 1 1 8   7  35 o 95.454  30.261 32.871    17.378  30.117    26.900  34.843    22.767  89.476  36.185 94.919  34.540 -5.443710      50.02374 
1 1 1 8   7  37 o 80.708  31.612 25.770    19.893  51.995    33.432  11.396    24.752  97.313  39.967 69.851  31.446 27.46148       50.85446 
1 1 1 8   8  0  o 1089.42 30.241 3204.25   176.631 3353.19   249.536 3054.70   250.052 1110.84 41.900 1059.50 44.021 51.33606       60.77355 
1 1 1 8   8  2  o 499.420 16.649 670.138   44.577  699.620   76.989  655.269   54.675  508.411 28.358 493.544 20.663 14.86670       35.08743 
1 1 1 8   8  4  o 274.206 15.226 202.592   22.296  210.537   38.359  198.538   27.400  278.217 26.019 271.054 18.974 7.163177       32.20245 
1 1 1 8   8  6  o 536.826 14.495 774.107   41.719  773.651   58.994  774.563   59.005  536.115 20.525 536.432 20.516 -0.3170166     29.02050 
1 1 1 8   8  8  o 221.005 12.832 131.608   15.139  140.682   21.483  122.656   21.338  228.014 17.713 212.660 18.913 15.35446       25.91220 
1 1 1 8   8  10 o 438.264 20.302 517.494   47.702  514.261   67.680  520.687   67.245  434.776 29.205 437.577 28.825 -2.801544      41.03407 
1 1 1 8   8  12 o 169.420 31.409 80.414    27.479  0.0000    0.0000  80.414    27.479  ?       ?      169.420 31.409 0.000000       31.40902 
1 1 1 8   8  14 f 192.999 21.200 101.808   21.574  100.193   30.589  103.406   30.433  189.374 31.216 192.622 30.484 -3.248016      43.63194 
1 1 1 8   8  16 o 195.609 31.623 107.435   32.032  107.435   32.032  0.0000    0.0000  195.609 31.623 ?       ?      0.000000       31.62270 
1 1 1 8   8  18 o 367.237 20.271 367.676   39.757  398.844   56.437  336.974   56.014  379.747 27.916 347.911 30.334 31.83530       41.22436 
1 1 1 8   8  20 o 241.041 20.838 160.140   26.664  149.582   37.057  171.475   38.398  229.171 30.952 246.151 29.696 -16.97989      42.89362 
1 1 1 8   8  22 o 93.808  33.094 23.075    20.723  0.0000    0.0000  23.075    20.723  ?       ?      93.808  33.094 0.000000       33.09389 
1 1 1 8   8  24 o 531.984 17.748 778.802   50.619  802.020   61.938  732.106   87.837  536.590 21.530 499.372 32.994 37.21786       39.39735 
1 1 1 8   8  26 o 386.459 14.134 409.034   29.285  463.122   42.106  358.355   40.758  407.521 19.272 356.303 21.436 51.21750       28.82574 
1 1 1 8   8  28 o 168.716 20.442 81.963    18.113  137.810   40.353  67.872    20.270  204.065 38.290 150.144 26.130 53.92046       46.35618 
1 1 1 8   8  30 o 234.456 16.113 155.615   20.130  184.028   31.108  135.145   26.404  247.687 23.716 212.136 23.617 35.55083       33.46954 
1 1 1 8   8  32 o 193.345 24.093 114.885   24.433  156.200   30.721  43.776    40.304  223.266 26.161 106.043 43.756 117.2237       50.97999 
1 1 1 8   8  34 o 200.574 22.357 124.172   23.632  181.059   44.091  101.242   27.993  215.884 39.552 170.223 31.844 45.66090       50.77750 
1 1 1 8   8  36 o 80.476  30.621 23.840    18.282  16.876    28.909  28.480    23.600  76.801  34.324 84.730  34.024 -7.928291      48.32933 
1 1 1 8   9  1  o 673.835 18.841 1221.08   68.066  1238.18   83.323  1186.77   118.006 678.017 22.922 661.217 33.396 16.80029       40.50600 
1 1 1 8   9  3  o 559.230 17.375 840.775   52.094  887.962   90.907  817.704   63.566  572.363 29.727 551.078 21.515 21.28430       36.69582 
1 1 1 8   9  5  o 628.647 18.094 1062.97   60.985  1079.42   106.183 1054.88   74.497  631.359 31.369 625.714 22.207 5.644531       38.43434 
1 1 1 8   9  7  o 671.536 18.371 1213.47   66.143  1284.41   115.288 1178.67   80.755  688.422 31.236 661.161 22.782 27.26062       38.66163 
1 1 1 8   9  9  o 585.029 16.734 920.696   52.488  998.591   91.965  883.064   63.922  607.317 28.245 572.399 20.830 34.91736       35.09447 
1 1 1 8   9  11 o 424.926 29.192 492.261   66.101  492.261   66.101  0.0000    0.0000  424.926 29.192 ?       ?      0.000000       29.19193 
1 1 1 8   9  13 o 430.886 20.445 501.505   47.230  481.211   66.857  521.721   66.730  419.250 29.941 437.001 28.640 -17.75104      41.43351 
1 1 1 8   9  15 o 319.974 20.014 278.268   34.161  284.084   48.018  272.308   48.610  321.192 28.170 314.104 29.200 7.087311       40.57263 
1 1 1 8   9  17 o 365.755 20.332 364.949   39.711  375.975   56.377  354.091   55.946  368.094 28.797 356.857 29.507 11.23730       41.22993 
1 1 1 8   9  19 o 116.482 34.818 39.193    23.421  0.0000    0.0000  39.193    23.421  ?       ?      116.482 34.818 0.000000       34.81831 
1 1 1 8   9  21 o 225.653 32.013 147.565   37.644  0.0000    0.0000  147.565   37.644  ?       ?      225.653 32.013 0.000000       32.01343 
1 1 1 8   9  23 o 109.277 17.988 33.635    10.172  35.878    11.406  24.918    22.483  112.470 19.630 96.442  34.422 16.02836       39.62617 
1 1 1 8   9  25 o 207.727 14.888 118.868   16.471  113.215   18.889  136.799   33.643  201.609 17.653 214.671 30.056 -13.06178      34.85653 
1 1 1 8   9  27 o 300.169 16.991 251.968   27.232  270.688   34.158  219.318   45.110  308.015 20.807 266.235 32.263 41.77954       38.39011 
1 1 1 8   9  29 o 98.686  33.185 31.775    20.755  118.993   39.736  -0.9437   24.338  181.286 41.746 70.226  31.431 111.0593       52.25609 
1 1 1 8   9  31 o 240.334 17.649 166.007   22.582  194.377   34.152  143.967   30.101  251.059 25.736 214.807 26.714 36.25230       37.09473 
1 1 1 8   9  33 o 377.617 19.555 421.517   39.454  472.902   49.407  331.077   65.547  391.767 23.634 286.728 44.048 105.0393       49.98815 
1 1 1 8   9  35 o 101.071 32.339 39.352    19.811  67.486    32.839  23.254    24.840  118.317 41.669 81.867  34.111 36.45033       53.85061 
1 1 1 8   10 0  o 306.283 13.511 251.924   22.187  259.042   31.660  245.055   31.101  309.711 19.161 301.177 19.364 8.533539       27.24167 
1 1 1 8   10 2  o 675.443 16.395 1226.36   59.369  1232.54   83.992  1220.18   83.931  676.215 23.168 672.801 23.268 3.413696       32.83512 
1 1 1 8   10 4  o 502.815 16.805 679.811   45.301  714.668   55.735  611.955   77.764  515.196 20.178 474.398 30.740 40.79861       36.77114 
1 1 1 8   10 6  o 832.168 20.361 1865.45   90.840  1989.40   111.494 1620.71   156.673 858.499 24.224 771.042 37.900 87.45673       44.98030 
1 1 1 8   10 8  o 693.432 18.695 1295.00   69.504  1315.71   121.187 1284.85   84.844  695.701 32.491 689.900 22.939 5.801086       39.77229 
1 1 1 8   10 10 o 403.193 14.001 437.140   30.266  475.959   42.913  398.718   42.693  420.157 19.050 383.789 20.827 36.36853       28.22530 
1 1 1 8   10 12 o 109.881 23.357 33.946    13.336  33.946    13.336  0.0000    0.0000  109.881 23.357 ?       ?      0.000000       23.35723 
1 1 1 8   10 14 o 531.509 21.533 767.104   61.361  770.779   86.829  763.439   86.726  528.443 30.781 525.857 30.897 2.586609       43.61333 
1 1 1 8   10 16 o 377.930 29.151 397.219   58.609  0.0000    0.0000  397.219   58.609  ?       ?      377.930 29.151 0.000000       29.15100 
1 1 1 8   10 18 o 74.241  27.289 12.540    14.263  45.606    20.618  -17.8084  19.752  125.168 30.908 56.451  26.372 68.71649       40.63025 
1 1 1 8   10 20 o 312.616 15.211 265.744   25.494  271.490   30.933  253.578   45.013  314.434 18.430 299.007 28.421 15.42685       33.87379 
1 1 1 8   10 22 o 347.978 14.084 329.595   26.276  307.809   31.768  376.785   46.755  334.341 17.786 366.169 23.948 -31.82776      29.83083 
1 1 1 8   10 24 o 436.223 20.792 531.920   48.627  531.920   48.627  0.0000    0.0000  436.223 20.792 ?       ?      0.000000       20.79212 
1 1 1 8   10 26 o 208.120 16.068 120.758   17.789  111.692   21.412  140.963   31.964  197.757 20.493 216.864 28.157 -19.10710      34.82439 
1 1 1 8   10 28 o 102.802 24.163 32.248    13.093  26.862    14.224  62.136    33.508  92.932  26.965 130.249 42.098 -37.31689      49.99329 
1 1 1 8   10 30 o 168.206 22.493 84.515    19.776  81.790    34.107  85.895    24.273  147.650 41.410 164.767 28.510 -17.11674      50.27510 
1 1 1 8   10 32 o 96.226  29.067 30.943    16.260  52.914    27.582  19.241    20.130  117.566 38.211 81.040  31.783 36.52586       49.70205 
1 1 1 8   10 34 o 145.862 26.258 70.359    19.779  113.294   33.992  48.381    24.320  168.445 38.482 109.702 35.891 58.74359       52.62165 
1 1 1 8   11 1  o 828.443 20.817 1848.72   92.459  1886.77   159.733 1829.55   113.384 833.000 35.767 823.095 25.694 9.905212       44.03894 
1 1 1 8   11 3  o 517.247 14.651 719.037   40.628  692.189   57.456  745.887   57.458  506.796 21.146 526.188 20.368 -19.39194      29.35991 
1 1 1 8   11 5  o 740.720 19.422 1478.13   77.130  1492.28   94.354  1449.61   133.905 743.362 23.675 729.734 34.226 13.62848       41.61681 
1 1 1 8   11 7  o 261.792 16.165 185.149   22.578  202.737   40.635  177.294   27.156  271.936 28.286 255.630 19.973 16.30620       34.62661 
1 1 1 8   11 9  o 350.823 15.947 331.504   29.995  342.478   36.554  308.886   52.479  355.689 19.240 335.496 29.475 20.19318       35.19911 
1 1 1 8   11 11 o 139.877 20.055 54.005    14.610  0.0000    0.0000  54.005    14.610  ?       ?      139.877 20.055 0.000000       20.05528 
1 1 1 8   11 13 o 177.293 15.692 85.558    14.762  85.205    17.117  86.582    29.163  176.433 18.364 174.330 32.395 2.102829       37.23832 
1 1 1 8   11 15 f 190.833 16.731 99.444    16.945  98.296    20.235  102.138   31.000  188.908 20.298 189.179 31.685 -0.2712708     37.62876 
1 1 1 8   11 17 o 246.864 20.040 167.667   26.294  177.783   35.715  155.694   38.854  251.753 26.876 233.324 31.895 18.42876       41.70902 
1 1 1 8   11 19 o 353.241 16.786 340.325   31.790  373.128   39.159  276.912   54.445  368.094 19.917 309.520 33.335 58.57425       38.83201 
1 1 1 8   11 21 o 288.454 15.600 227.788   24.035  227.788   24.035  0.0000    0.0000  288.454 15.600 ?       ?      0.000000       15.59969 
1 1 1 8   11 23 o 163.717 26.633 78.318    22.573  69.389    33.736  85.556    30.373  146.546 41.214 166.582 35.116 -20.03577      54.14495 
1 1 1 8   11 25 o 234.846 17.014 154.114   21.276  149.192   25.212  166.291   39.657  228.793 20.781 232.047 32.790 -3.254776      38.82038 
1 1 1 8   11 27 o 170.631 18.364 83.097    16.535  85.405    18.354  73.160    38.089  171.877 20.311 140.015 44.844 31.86168       49.22956 
1 1 1 8   11 29 o 150.132 21.710 66.667    16.967  46.162    18.907  151.497   38.456  119.744 29.616 213.948 34.716 -94.20424      45.63206 
1 1 1 8   11 31 o 116.257 28.089 43.999    17.312  29.209    19.455  100.257   37.944  93.502  32.122 159.021 43.327 -65.51918      53.93540 
1 1 1 8   11 33 o 80.099  35.438 14.320    30.037  14.320    30.037  0.0000    0.0000  80.099  35.438 ?       ?      0.000000       35.43800 
1 1 1 8   12 0  o 541.414 15.081 788.215   43.777  791.254   61.875  785.169   61.944  541.624 21.308 539.520 21.415 2.103455       30.21024 
1 1 1 8   12 2  o 641.676 18.508 1109.31   63.670  1103.70   110.795 1112.08   77.800  635.915 32.607 641.684 22.614 -5.769226      39.68174 
1 1 1 8   12 4  o 186.763 13.937 94.319    13.854  100.978   20.097  88.288    19.124  192.477 19.755 179.771 20.192 12.70506       28.24857 
1 1 1 8   12 6  o 892.001 21.700 2152.36   103.776 2198.31   179.295 2129.21   127.259 893.534 37.427 885.083 26.819 8.450317       46.04361 
1 1 1 8   12 8  o 435.226 19.877 512.444   46.381  480.955   64.422  546.330   66.829  418.594 28.882 446.542 28.057 -27.94772      40.26661 
1 1 1 8   12 10 o 360.819 13.349 350.767   25.823  361.946   36.628  339.720   36.412  365.156 18.773 353.615 19.279 11.54102       26.90920 
1 1 1 8   12 12 o 384.535 13.972 399.092   28.804  422.123   40.947  376.531   40.527  394.241 19.373 371.539 20.424 22.70132       28.15021 
1 1 1 8   12 14 o 371.196 16.124 373.428   32.089  341.138   39.276  438.250   55.648  352.914 20.851 397.780 26.241 -44.86639      33.51639 
1 1 1 8   12 16 o 93.988  30.232 24.422    17.297  24.422    17.297  0.0000    0.0000  93.988  30.232 ?       ?      0.000000       30.23228 
1 1 1 8   12 18 o 221.620 21.172 136.432   24.850  136.432   24.850  0.0000    0.0000  221.620 21.172 ?       ?      0.000000       21.17201 
1 1 1 8   12 20 o 337.932 21.141 317.578   38.110  334.813   54.921  301.571   52.926  340.636 30.392 322.742 30.967 17.89377       43.38951 
1 1 1 8   12 22 o 286.462 17.912 227.618   27.371  245.858   33.237  189.184   48.247  295.873 21.091 247.632 37.516 48.24098       43.03772 
1 1 1 8   12 24 o 201.859 17.058 113.971   18.287  105.800   21.110  138.545   36.609  192.526 20.781 211.334 33.422 -18.80821      39.35613 
1 1 1 8   12 26 o 75.348  31.799 7.8334    22.014  19.224    36.060  1.0667    27.794  95.921  40.601 76.890  34.050 19.03029       52.98924 
1 1 1 8   12 28 o 101.063 24.876 31.364    13.388  27.806    14.588  50.356    33.703  94.406  27.284 118.432 42.159 -24.02584      50.21761 
1 1 1 8   12 30 o 57.405  24.177 3.9286    12.683  3.9286    12.683  0.0000    0.0000  57.405  24.177 ?       ?      0.000000       24.17655 
1 1 1 8   12 32 o 91.035  38.604 27.713    32.697  49.913    55.037  15.604    40.648  104.582 47.004 86.866  39.577 17.71668       61.44660 
1 1 1 8   13 1  o 307.374 15.918 255.225   26.142  291.498   45.847  237.751   31.822  326.454 26.421 295.932 20.177 30.52222       33.24462 
1 1 1 8   13 3  o 222.376 15.829 133.949   18.749  148.093   34.373  127.958   22.370  231.401 28.296 216.736 19.458 14.66476       34.34102 
1 1 1 8   13 5  o 199.651 14.687 107.993   15.611  120.404   22.567  96.606    21.618  209.917 20.306 187.497 21.919 22.41939       29.87920 
1 1 1 8   13 7  o 120.933 16.636 40.235    10.500  29.213    14.673  51.805    15.033  101.533 26.627 136.596 21.216 -35.06326      34.04532 
1 1 1 8   13 9  o 151.826 15.469 62.909    12.416  62.656    18.179  63.129    16.998  149.853 23.391 150.840 21.639 -0.9864807     31.86519 
1 1 1 8   13 11 o 316.277 16.782 271.783   28.355  285.224   34.645  244.511   49.349  323.101 20.099 294.880 31.713 28.22073       37.54635 
1 1 1 8   13 13 o 204.090 16.299 113.684   17.685  123.340   22.869  99.319    27.894  211.600 20.412 187.124 28.722 24.47630       35.23647 
1 1 1 8   13 15 o 142.841 17.073 56.289    12.816  62.790    14.652  35.116    26.442  150.613 18.536 112.165 37.459 38.44756       41.79430 
1 1 1 8   13 17 o 135.301 30.610 53.790    21.685  53.790    21.685  0.0000    0.0000  135.301 30.610 ?       ?      0.000000       30.60998 
1 1 1 8   13 19 o 209.758 15.205 120.641   16.983  111.343   19.090  155.917   37.184  200.587 17.941 231.314 30.745 -30.72664      35.59673 
1 1 1 8   13 21 o 132.583 19.991 49.939    13.769  42.603    15.378  79.597    30.919  120.582 24.620 159.249 36.931 -38.66660      44.38480 
1 1 1 8   13 23 o 150.577 17.624 63.853    13.959  67.998    15.410  44.894    32.955  154.881 18.953 118.158 41.728 36.72272       45.83069 
1 1 1 8   13 25 f 278.419 15.093 215.025   22.446  233.635   25.629  153.757   46.502  289.244 16.596 212.505 42.304 76.73912       45.44267 
1 1 1 8   13 27 f 184.878 19.465 98.105    19.003  98.105    19.003  0.0000    0.0000  184.878 19.465 ?       ?      0.000000       19.46462 
1 1 1 8   13 29 o 59.745  24.493 5.9527    12.528  7.6824    13.592  -3.8125   32.296  63.367  25.688 76.348  34.972 -12.98112      43.39253 
1 1 1 8   13 31 o 243.999 32.299 203.564   41.213  274.955   62.805  149.574   54.617  254.505 47.783 170.870 53.580 83.63582       71.79213 
1 1 1 8   14 0  o 110.585 23.829 34.514    13.711  54.492    17.617  3.8204    21.836  139.537 24.439 76.504  31.939 63.03284       40.21626 
1 1 1 8   14 2  o 320.404 14.234 276.742   24.451  286.115   35.255  268.055   33.941  324.215 20.386 313.801 20.283 10.41434       28.75722 
1 1 1 8   14 4  o 229.613 20.263 144.136   24.689  143.988   35.095  144.282   34.738  227.067 29.527 227.407 29.165 -0.3407898     41.50200 
1 1 1 8   14 6  o 312.858 16.202 265.341   27.082  285.820   47.602  255.539   32.931  321.319 27.909 306.066 20.182 15.25394       34.44207 
1 1 1 8   14 8  o 121.866 20.837 41.528    13.125  33.715    17.343  52.001    20.079  108.588 29.170 134.852 28.655 -26.26479      40.89024 
1 1 1 8   14 10 o 305.637 13.745 252.383   22.523  267.616   32.623  238.509   31.135  312.899 19.545 295.255 19.783 17.64395       27.80951 
1 1 1 8   14 12 o 263.327 14.611 188.322   20.547  200.353   29.684  177.257   28.468  269.921 20.670 253.653 21.126 16.26837       29.55574 
1 1 1 8   14 14 o 87.766  25.756 21.825    12.911  19.949    14.722  28.074    26.867  85.578  27.922 104.513 37.595 -18.93514      46.82931 
1 1 1 8   14 16 o 188.896 19.571 99.004    19.532  106.579   23.538  82.251    35.003  194.863 22.972 163.783 40.169 31.07986       46.27345 
1 1 1 8   14 18 o 109.817 38.417 34.370    27.887  0.0000    0.0000  34.370    27.887  ?       ?      109.817 38.417 0.000000       38.41693 
1 1 1 8   14 20 o 74.037  23.049 15.529    10.127  20.238    11.143  -6.8209   24.276  83.365  23.771 69.355  31.190 14.00993       39.21579 
1 1 1 8   14 22 o 96.606  28.339 28.099    15.633  28.360    18.245  27.377    30.322  97.181  31.028 101.347 39.213 -4.165764      50.00370 
1 1 1 8   14 24 o 137.177 21.622 54.569    15.375  54.569    15.375  0.0000    0.0000  137.177 21.622 ?       ?      0.000000       21.62203 
1 1 1 8   14 26 o 52.198  23.367 -3.6149   13.459  -6.7562   14.958  9.7500    30.852  52.581  23.976 85.480  36.897 -32.89969      44.00280 
1 1 1 8   14 28 o 96.399  37.587 28.960    28.027  72.480    47.196  5.2517    34.834  130.508 49.309 83.734  37.531 46.77466       61.96717 
1 1 1 8   14 30 o 65.368  31.406 -23.9938  32.064  0.0000    0.0000  -23.9938  32.064  ?       ?      65.368  31.406 0.000000       31.40581 
1 1 1 8   15 1  o 524.646 17.579 745.344   49.446  764.640   60.791  707.622   84.997  530.117 21.389 504.703 31.571 25.41345       38.13439 
1 1 1 8   15 3  o 390.157 20.388 415.003   42.498  415.003   42.498  0.0000    0.0000  390.157 20.388 ?       ?      0.000000       20.38758 
1 1 1 8   15 5  o 353.820 14.068 338.054   26.686  370.547   38.141  306.895   37.350  368.747 19.360 335.030 20.898 33.71710       28.48785 
1 1 1 8   15 7  o 197.060 14.803 105.595   15.525  119.987   22.927  93.408    21.097  208.780 20.758 183.687 21.852 25.09277       30.13957 
1 1 1 8   15 9  o 238.823 22.098 157.455   27.973  160.233   41.133  155.064   38.155  236.740 33.331 233.702 31.234 3.037415       45.67794 
1 1 1 8   15 11 o 277.477 14.263 209.035   21.146  220.111   30.101  198.243   29.712  283.067 19.962 268.281 20.821 14.78641       28.84429 
1 1 1 8   15 13 o 50.217  21.287 0.6661    9.9350  14.688    15.825  -8.4559   12.764  78.793  28.777 47.896  21.956 30.89616       36.19685 
1 1 1 8   15 15 o 212.194 15.581 123.388   17.602  120.756   25.144  125.918   24.649  207.281 23.014 212.126 21.994 -4.845032      31.83361 
1 1 1 8   15 17 o 375.102 17.429 386.971   35.050  360.995   43.067  437.925   60.318  358.664 22.511 389.475 29.097 -30.81094      36.78794 
1 1 1 8   15 19 o 167.397 22.578 80.094    19.746  71.487    24.129  97.547    34.360  154.352 30.239 176.400 37.487 -22.04840      48.16286 
1 1 1 8   15 21 o 98.427  28.202 29.056    15.646  29.056    15.646  0.0000    0.0000  98.427  28.202 ?       ?      0.000000       28.20170 
1 1 1 8   15 23 o 104.966 27.369 33.438    15.561  27.528    17.567  54.968    33.532  95.587  30.438 128.120 42.155 -32.53244      51.99574 
1 1 1 8   15 25 o 295.490 18.163 246.375   28.635  230.961   33.948  284.385   53.309  282.228 22.626 300.290 33.694 -18.06213      40.58559 
1 1 1 8   15 27 o 135.899 45.632 73.058    39.242  0.0000    0.0000  73.058    39.242  ?       ?      135.899 45.632 0.000000       45.63204 
1 1 1 8   16 0  o 468.586 17.087 594.995   42.926  621.531   53.052  544.686   73.049  477.717 20.714 441.949 31.026 35.76770       37.30563 
1 1 1 8   16 2  o 124.642 18.775 43.112    12.157  38.805    18.250  46.549    16.300  116.193 29.301 128.262 24.599 -12.06936      38.25802 
1 1 1 8   16 4  o 132.716 18.535 48.762    12.829  35.533    18.612  60.736    17.707  111.219 30.362 147.245 23.198 -36.02680      38.20954 
1 1 1 8   16 6  o 314.113 16.967 268.605   28.467  269.234   34.773  267.327   49.567  313.278 20.822 308.258 30.387 5.019867       36.83668 
1 1 1 8   16 8  o 189.134 18.230 98.302    18.256  134.286   30.792  78.798    22.670  218.540 26.845 166.865 26.204 51.67456       37.51421 
1 1 1 8   16 10 o 146.747 21.076 60.257    16.105  81.998    26.760  47.909    20.167  168.255 30.800 128.147 29.900 40.10785       42.92622 
1 1 1 8   16 12 o 114.424 24.111 37.678    14.324  39.282    26.579  37.022    17.005  116.117 37.490 112.508 28.236 3.609436       46.93376 
1 1 1 8   16 14 o 80.904  26.202 18.137    12.976  40.176    27.748  11.969    14.680  116.601 38.347 73.249  27.538 43.35197       47.21051 
1 1 1 8   16 16 f 111.342 21.843 35.660    12.573  16.670    18.293  52.661    17.310  82.961  30.829 134.794 24.868 -51.83279      39.60861 
1 1 1 8   16 18 o 151.078 23.123 65.475    18.133  65.475    18.133  0.0000    0.0000  151.078 23.123 ?       ?      0.000000       23.12281 
1 1 1 8   16 20 o 242.752 15.540 162.540   20.118  151.688   22.633  203.393   43.914  233.238 18.245 260.512 32.122 -27.27446      36.94200 
1 1 1 8   16 22 o 67.660  28.958 2.8126    18.703  2.8126    18.703  0.0000    0.0000  67.660  28.958 ?       ?      0.000000       28.95794 
1 1 1 8   16 24 o 116.830 26.050 41.516    15.901  60.332    18.388  -14.2860  31.665  142.031 25.064 73.031  33.871 69.00008       42.13622 
1 1 1 8   16 26 o 104.446 42.354 34.944    36.962  0.0000    0.0000  34.944    36.962  ?       ?      104.446 42.354 0.000000       42.35437 
1 1 1 8   17 1  o 326.553 20.094 292.027   35.009  0.0000    0.0000  292.027   35.009  ?       ?      326.553 20.094 0.000000       20.09408 
1 1 1 8   17 3  o 202.533 18.150 112.512   19.499  117.335   33.972  110.142   23.813  202.114 32.449 199.105 22.714 3.009064       39.60895 
1 1 1 8   17 5  o 221.415 14.952 133.501   17.645  146.441   25.739  122.026   24.237  230.233 21.087 209.759 21.874 20.47350       30.38245 
1 1 1 8   17 7  o 111.571 24.740 35.785    14.411  32.675    23.785  37.589    18.114  107.859 35.505 113.562 29.489 -5.702606      46.15417 
1 1 1 8   17 9  o 199.495 19.019 110.026   20.096  120.720   24.328  87.059    35.653  207.958 22.162 168.936 39.986 39.02231       45.71671 
1 1 1 8   17 11 o 58.635  22.254 7.0216    9.6409  -11.2681  15.731  18.022    12.201  52.207  24.093 80.399  25.341 -28.19239      34.96682 
1 1 1 8   17 13 o 154.644 26.611 69.137    21.267  48.653    34.402  81.807    27.057  127.027 42.725 166.327 31.495 -39.29926      53.07888 
1 1 1 8   17 15 o 42.329  19.082 -4.2723   9.1502  -10.1788  14.023  0.1072    12.075  49.151  22.706 54.074  23.209 -4.922184      32.46855 
1 1 1 8   17 17 o 177.741 31.727 94.314    29.124  104.264   43.838  86.453    38.966  178.098 45.688 163.161 43.678 14.93736       63.20766 
1 1 1 8   17 19 o 123.239 31.810 46.507    21.160  19.203    27.067  89.419    33.933  92.801  36.709 167.746 38.541 -74.94491      53.22544 
1 1 1 8   17 21 o 277.708 17.696 215.322   26.210  199.972   30.659  257.003   50.520  264.896 21.781 289.900 33.098 -25.00455      39.62180 
1 1 1 8   17 23 o 252.994 39.394 212.426   51.694  0.0000    0.0000  212.426   51.694  ?       ?      252.994 39.394 0.000000       39.39383 
1 1 1 8   18 0  o 131.679 19.569 48.394    13.395  35.471    20.151  58.624    17.929  110.647 32.094 143.901 24.091 -33.25400      40.12958 
1 1 1 8   18 2  o 219.505 15.598 131.530   18.237  107.581   26.483  153.130   25.150  195.214 25.946 235.585 20.105 -40.37105      32.82414 
1 1 1 8   18 4  o 284.467 17.398 221.510   26.406  196.268   45.566  234.273   32.401  260.595 33.381 291.268 20.888 -30.67361      39.37761 
1 1 1 8   18 6  o 330.921 14.738 297.458   26.148  329.076   37.217  266.635   36.746  345.547 20.177 309.993 22.258 35.55371       30.04241 
1 1 1 8   18 8  o 154.957 21.957 67.542    17.731  61.920    22.774  76.193    28.252  145.412 30.200 160.166 33.955 -14.75400      45.44174 
1 1 1 8   18 10 o 151.804 21.284 64.778    16.846  75.027    21.955  50.107    26.269  161.801 26.206 128.977 36.401 32.82346       44.85267 
1 1 1 8   18 12 o 100.146 34.805 27.455    22.872  38.422    31.313  14.912    33.487  116.220 40.706 97.159  39.963 19.06075       57.04353 
1 1 1 8   18 14 o 110.451 28.404 36.048    16.914  37.023    19.663  33.272    33.167  111.499 31.502 111.541 41.499 -0.4174042E-01 52.10104 
1 1 1 8   18 16 o 103.189 28.141 31.579    15.998  35.602    35.367  30.544    17.938  113.746 42.747 101.576 30.496 12.16961       52.51051 
1 1 1 8   18 18 o 218.280 24.711 137.147   28.409  128.873   36.834  149.295   44.633  204.996 34.756 216.869 39.856 -11.87326      52.88163 
1 1 1 8   18 20 o 171.157 33.123 91.081    29.296  54.492    42.635  123.809   40.323  127.457 47.123 194.473 40.009 -67.01604      61.81687 
1 1 1 8   19 1  o 313.409 21.356 271.214   35.670  271.214   35.670  0.0000    0.0000  313.409 21.356 ?       ?      0.000000       21.35604 
1 1 1 8   19 3  o 279.174 18.044 213.663   26.863  192.057   32.768  257.943   46.910  262.576 23.526 301.599 29.384 -39.02322      37.64206 
1 1 1 8   19 5  o 128.648 22.631 46.933    15.039  67.589    21.461  27.003    21.081  153.496 27.068 99.262  33.445 54.23425       43.02596 
1 1 1 8   19 7  f 69.456  26.881 9.2802    14.253  72.488    29.869  -9.3546   16.218  155.353 36.484 54.706  24.953 100.6470       44.20097 
1 1 1 8   19 9  o 92.862  27.351 24.762    14.536  15.347    27.305  28.485    17.172  91.763  36.686 99.351  29.840 -7.587845      47.28905 
1 1 1 8   19 11 o 268.399 15.016 196.837   21.520  234.660   31.519  163.809   29.454  290.903 20.338 241.650 23.013 49.25322       30.71157 
1 1 1 8   19 13 o 75.246  27.059 14.108    13.917  23.918    22.494  8.0243    17.715  95.272  34.383 72.508  29.350 22.76344       45.20678 
1 1 1 8   19 15 o 45.864  20.866 -6.1121   11.247  22.329    19.322  -20.6855  13.831  90.628  31.958 42.024  20.299 48.60390       37.85967 
1 1 1 8   19 17 o 225.366 33.566 154.631   39.319  154.631   39.319  0.0000    0.0000  225.366 33.566 ?       ?      0.000000       33.56631 
1 1 1 8   20 0  o 260.050 16.447 184.756   22.813  189.773   31.361  179.118   33.246  261.428 22.597 253.031 24.827 8.397614       33.57113 
1 1 1 8   20 2  o 202.235 20.813 113.486   22.244  105.240   39.312  117.370   26.978  186.469 40.483 204.146 25.183 -17.67728      47.67683 
1 1 1 8   20 4  o 107.629 30.005 33.760    17.963  28.237    23.831  41.027    27.336  102.314 35.529 118.697 37.988 -16.38260      52.01360 
1 1 1 8   20 6  o 285.134 15.630 222.004   23.803  245.412   35.101  202.075   32.387  297.140 22.194 269.287 22.643 27.85306       31.70618 
1 1 1 8   20 8  o 264.507 18.188 192.703   25.636  249.696   46.811  168.286   30.639  294.853 30.031 244.840 23.635 50.01364       38.21655 
1 1 1 8   20 10 o 247.773 22.067 171.881   29.006  0.0000    0.0000  171.881   29.006  ?       ?      247.773 22.067 0.000000       22.06674 
1 1 1 8   20 12 o 140.239 26.233 57.328    18.999  0.0000    0.0000  57.328    18.999  ?       ?      140.239 26.233 0.000000       26.23288 
1 1 1 8   20 14 o 188.302 24.254 101.854   23.916  104.574   35.753  99.651    32.175  182.792 37.733 180.411 34.523 2.380966       51.14280 
1 1 1 8   21 1  o 127.248 37.113 48.476    26.881  90.692    39.079  10.560    37.035  171.115 42.727 98.216  41.336 72.89941       59.44970 
1 1 1 8   21 3  o 182.115 22.719 93.218    21.700  126.403   40.193  79.566    25.779  205.081 37.954 165.164 30.227 39.91757       48.51955 
1 1 1 8   21 5  o 183.021 27.842 96.462    26.458  110.020   39.809  85.735    35.411  189.126 40.483 166.672 40.113 22.45384       56.99051 
1 1 1 8   21 7  o 124.828 44.032 45.823    36.683  45.823    36.683  0.0000    0.0000  124.828 44.032 ?       ?      0.000000       44.03172 
1 1 1 8   21 9  o 170.895 26.655 84.524    23.625  132.570   37.308  52.361    30.525  210.355 34.260 129.861 39.948 80.49463       52.62682 
1 1 1 9   0  1  o 889.998 26.361 2137.69   125.533 2137.69   125.533 2137.69   125.533 889.998 26.361 889.998 26.361 0.000000       0.000000 
1 1 1 9   0  3  o 577.967 30.670 907.262   94.424  907.262   94.424  907.262   94.424  577.967 30.670 577.967 30.670 0.000000       0.000000 
1 1 1 9   0  5  o 178.799 19.289 88.790    17.946  88.790    17.946  88.790    17.946  178.799 19.289 178.799 19.289 0.000000       0.000000 
1 1 1 9   0  7  f 638.237 22.389 1098.26   76.396  1098.26   76.396  1098.26   76.396  638.237 22.389 638.237 22.389 0.000000       0.000000 
1 1 1 9   0  9  o 140.786 21.171 56.702    14.914  56.702    14.914  56.702    14.914  140.786 21.171 140.786 21.171 0.000000       0.000000 
1 1 1 9   0  11 o 401.449 19.565 435.857   41.881  435.857   41.881  435.857   41.881  401.449 19.565 401.449 19.565 0.000000       0.000000 
1 1 1 9   0  13 o 180.507 19.720 90.601    18.505  90.601    18.505  90.601    18.505  180.507 19.720 180.507 19.720 0.000000       0.000000 
1 1 1 9   0  15 o 384.140 19.613 399.587   40.153  399.587   40.153  399.587   40.153  384.140 19.613 384.140 19.613 0.000000       0.000000 
1 1 1 9   0  17 o 128.287 34.280 52.818    20.373  52.818    20.373  52.818    20.373  128.287 34.280 128.287 34.280 0.000000       0.000000 
1 1 1 9   0  19 o 366.931 19.371 365.125   37.865  365.125   37.865  365.125   37.865  366.931 19.371 366.931 19.371 0.000000       0.000000 
1 1 1 9   0  21 o 178.903 21.152 89.799    19.543  89.799    19.543  89.799    19.543  178.903 21.152 178.903 21.152 0.000000       0.000000 
1 1 1 9   0  23 o 491.706 30.248 666.341   79.048  666.341   79.048  666.341   79.048  491.706 30.248 491.706 30.248 0.000000       0.000000 
1 1 1 9   0  25 o 185.099 37.407 104.795   32.882  104.795   32.882  104.795   32.882  185.099 37.407 185.099 37.407 0.000000       0.000000 
1 1 1 9   0  27 o 151.227 25.413 67.275    18.856  67.275    18.856  67.275    18.856  151.227 25.413 151.227 25.413 0.000000       0.000000 
1 1 1 9   0  29 o 57.627  31.951 12.872    14.514  12.872    14.514  12.872    14.514  57.627  31.951 57.627  31.951 0.000000       0.000000 
1 1 1 9   0  31 o 67.450  36.593 18.729    18.598  18.729    18.598  18.729    18.598  67.450  36.593 67.450  36.593 0.000000       0.000000 
1 1 1 9   0  33 o 72.333  40.772 21.688    24.117  21.688    24.117  21.688    24.117  72.333  40.772 72.333  40.772 0.000000       0.000000 
1 1 1 9   0  35 o 154.197 58.595 98.493    45.534  98.493    45.534  98.493    45.534  154.197 58.595 154.197 58.595 0.000000       0.000000 
1 1 1 9   0  37 o 66.420  38.198 17.988    21.762  17.988    21.762  17.988    21.762  66.420  38.198 66.420  38.198 0.000000       0.000000 
1 1 1 9   0  39 o 195.529 38.063 124.114   35.564  124.114   35.564  124.114   35.564  195.529 38.063 195.529 38.063 0.000000       0.000000 
1 1 1 9   1  0  o 931.675 21.876 2339.95   109.269 2507.16   189.435 2256.58   133.764 959.475 36.826 913.499 27.312 45.97583       45.84905 
1 1 1 9   1  2  o 642.716 18.184 1111.23   62.660  1120.47   108.622 1106.62   76.710  643.132 31.503 640.812 22.328 2.320068       38.61278 
1 1 1 9   1  4  o 325.057 15.244 283.860   26.566  250.295   45.983  300.676   32.547  303.087 28.638 333.897 18.250 -30.80902      33.95864 
1 1 1 9   1  6  o 224.266 13.035 135.478   15.605  149.728   22.013  121.083   22.124  235.370 17.571 211.257 19.764 24.11310       26.44504 
1 1 1 9   1  8  o 195.467 13.128 103.035   13.677  102.802   19.244  103.273   19.443  194.649 18.670 195.080 18.823 -0.4314117     26.51183 
1 1 1 9   1  10 o 179.829 15.454 87.525    14.755  84.364    18.130  93.724    25.393  176.008 19.543 184.534 26.420 -8.526093      32.86255 
1 1 1 9   1  12 o 332.419 19.056 298.424   33.820  0.0000    0.0000  298.424   33.820  ?       ?      332.419 19.056 0.000000       19.05584 
1 1 1 9   1  14 o 235.804 19.270 150.806   24.149  0.0000    0.0000  150.806   24.149  ?       ?      235.804 19.270 0.000000       19.27039 
1 1 1 9   1  16 o 191.924 13.473 99.520    13.775  109.942   19.585  89.316    19.379  201.135 18.364 180.799 20.346 20.33536       27.40831 
1 1 1 9   1  18 o 169.427 13.848 77.766    12.469  87.713    17.458  67.408    17.815  179.333 18.420 156.333 21.852 23.00012       28.57969 
1 1 1 9   1  20 o 620.635 17.910 1042.49   59.595  1039.56   72.961  1048.36   103.304 618.262 22.011 615.600 31.405 2.661560       38.35025 
1 1 1 9   1  22 o 174.453 22.985 84.943    20.974  92.117    30.883  78.800    28.576  178.168 33.562 164.493 33.540 13.67490       47.44822 
1 1 1 9   1  24 o 359.474 13.776 350.983   26.550  325.147   37.460  377.061   37.635  342.737 20.480 369.947 19.039 -27.20935      27.96267 
1 1 1 9   1  26 f 128.747 17.547 46.497    11.797  52.540    16.650  40.407    16.715  134.656 23.941 116.601 27.232 18.05585       36.25935 
1 1 1 9   1  28 o 68.812  23.773 12.743    10.663  5.3580    16.244  18.335    14.135  66.285  27.599 80.556  27.385 -14.27050      38.88011 
1 1 1 9   1  30 f 85.611  25.950 22.431    12.943  37.800    17.466  3.7104    19.276  108.909 29.280 67.719  29.198 41.19004       41.34989 
1 1 1 9   1  32 o 169.986 27.323 92.676    24.057  96.744    37.239  89.761    31.517  153.697 43.327 155.037 38.172 -1.340378      57.74333 
1 1 1 9   1  34 o 63.374  27.852 4.0985    18.261  4.0985    18.261  0.0000    0.0000  63.374  27.852 ?       ?      0.000000       27.85170 
1 1 1 9   1  36 o 143.728 32.496 78.014    24.453  67.053    27.277  122.876   55.183  124.373 37.665 128.735 51.910 -4.361992      64.13504 
1 1 1 9   1  38 o 62.993  31.891 -56.9942  53.547  0.0000    0.0000  -56.9942  53.547  ?       ?      62.993  31.891 0.000000       31.89062 
1 1 1 9   2  1  o 750.175 19.300 1514.36   77.622  0.0000    0.0000  1514.36   77.622  ?       ?      750.175 19.300 0.000000       19.29974 
1 1 1 9   2  3  o 611.086 17.485 1003.86   57.284  0.0000    0.0000  1003.86   57.284  ?       ?      611.086 17.485 0.000000       17.48476 
1 1 1 9   2  5  o 630.308 18.023 1067.97   60.904  0.0000    0.0000  1067.97   60.904  ?       ?      630.308 18.023 0.000000       18.02287 
1 1 1 9   2  7  o 606.163 22.027 989.042   71.584  0.0000    0.0000  989.042   71.584  ?       ?      606.163 22.027 0.000000       22.02694 
1 1 1 9   2  9  o 176.448 15.225 84.254    14.262  83.460    23.933  84.691    17.759  173.946 26.500 176.433 19.078 -2.486221      32.65347 
1 1 1 9   2  11 o 492.409 14.401 651.419   38.018  652.341   53.802  650.500   53.730  492.207 20.388 491.512 20.390 0.6953735      28.83438 
1 1 1 9   2  13 o 406.832 13.776 444.769   30.047  415.319   42.389  474.507   42.597  392.064 20.235 419.758 18.928 -27.69376      27.70823 
1 1 1 9   2  15 o 607.768 17.865 995.038   58.212  968.616   100.655 1008.32   71.356  595.753 31.627 611.086 21.780 -15.33301      38.40078 
1 1 1 9   2  17 o 1210.01 26.608 3976.62   172.609 3826.60   299.121 4051.52   211.347 1170.22 47.677 1217.54 32.377 -47.31799      57.63152 
1 1 1 9   2  19 o 667.969 18.070 1205.99   64.712  1072.17   79.107  1476.67   112.506 628.036 23.494 734.616 28.566 -106.5798      36.98610 
1 1 1 9   2  21 o 374.546 13.463 378.756   27.034  353.944   38.168  403.735   38.297  360.045 19.850 385.471 18.531 -25.42615      27.15516 
1 1 1 9   2  23 o 107.847 20.085 32.892    11.186  26.049    13.646  46.903    19.527  95.097  26.014 126.695 29.328 -31.59763      39.20253 
1 1 1 9   2  25 f 191.073 16.375 100.738   16.612  80.936    26.683  113.272   21.229  164.971 31.314 201.365 19.925 -36.39468      37.11580 
1 1 1 9   2  27 o 414.408 16.033 473.541   35.623  464.123   43.376  493.053   62.434  407.244 19.866 409.887 28.590 -2.642578      34.81487 
1 1 1 9   2  29 o 84.731  31.853 19.328    19.640  0.0000    0.0000  19.328    19.640  ?       ?      84.731  31.853 0.000000       31.85288 
1 1 1 9   2  31 o 139.745 24.984 60.401    18.032  46.620    20.479  107.934   38.035  117.572 31.746 168.593 42.183 -51.02088      52.79432 
1 1 1 9   2  33 o 132.026 22.854 54.335    15.591  58.009    21.594  50.333    22.535  128.454 31.578 116.808 33.956 11.64558       46.36975 
1 1 1 9   2  35 o 79.196  28.576 21.245    15.536  18.035    19.999  26.132    24.674  76.514  31.108 85.323  34.603 -8.809158      46.53057 
1 1 1 9   2  37 o 112.299 32.911 52.008    21.094  57.514    31.703  47.634    28.257  103.253 40.055 97.696  37.839 5.556564       55.10151 
1 1 1 9   2  39 o 69.458  34.590 12.408    51.140  12.408    51.140  0.0000    0.0000  69.458  34.590 ?       ?      0.000000       34.59000 
1 1 1 9   3  0  o 661.876 15.942 1177.14   56.570  1199.53   80.056  1154.80   79.947  667.373 22.375 654.759 22.775 12.61407       31.92656 
1 1 1 9   3  2  o 715.659 18.975 1377.35   72.803  1471.68   126.495 1330.62   89.027  737.593 31.988 702.796 23.628 34.79718       39.76786 
1 1 1 9   3  4  o 586.258 15.178 923.115   47.706  980.257   95.791  904.267   55.014  602.497 29.655 580.041 17.691 22.45520       34.53096 
1 1 1 9   3  6  o 250.236 12.598 168.504   16.847  166.294   34.359  169.204   19.331  246.976 26.356 250.604 14.449 -3.628540      30.05672 
1 1 1 9   3  8  o 549.250 21.231 811.909   62.520  816.928   88.323  806.869   88.511  549.037 30.121 545.584 30.380 3.453186       42.78100 
1 1 1 9   3  10 o 599.946 18.143 968.115   58.355  971.726   71.347  960.817   101.427 600.568 22.159 594.760 31.925 5.807800       38.86130 
1 1 1 9   3  12 o 617.587 17.374 1026.19   57.527  1022.68   70.355  1033.29   99.928  615.960 21.304 617.441 30.187 -1.481018      36.94781 
1 1 1 9   3  14 o 702.785 18.815 1330.77   70.893  1355.80   86.947  1281.11   122.450 708.500 22.890 685.837 33.302 22.66254       40.40974 
1 1 1 9   3  16 o 674.852 18.371 1227.94   66.468  1158.43   81.425  1366.77   115.076 654.348 23.210 708.468 30.296 -54.12012      38.16520 
1 1 1 9   3  18 o 441.479 13.641 524.665   32.286  454.301   45.390  596.727   45.934  409.175 20.759 470.051 18.227 -60.87589      27.62520 
1 1 1 9   3  20 o 112.853 21.449 35.774    12.503  34.324    21.634  36.502    15.321  110.521 33.561 113.248 25.808 -2.726906      42.33670 
1 1 1 9   3  22 o 160.082 20.292 71.202    17.025  63.648    22.491  81.337    26.052  148.503 29.290 168.102 30.008 -19.59967      41.93298 
1 1 1 9   3  24 o 242.386 14.078 160.306   18.216  154.057   25.836  166.482   25.686  235.220 20.698 244.996 19.722 -9.776169      28.59001 
1 1 1 9   3  26 o 98.363  22.053 28.163    11.343  14.685    16.038  41.651    16.044  77.724  28.869 118.721 25.932 -40.99715      38.80609 
1 1 1 9   3  28 o 167.043 20.559 79.887    18.023  83.895    20.892  68.224    35.637  169.581 23.620 140.447 43.156 29.13405       49.19744 
1 1 1 9   3  30 o 141.430 20.000 58.386    14.742  70.192    20.456  45.630    21.264  151.220 26.179 117.284 32.627 33.93581       41.83166 
1 1 1 9   3  32 o 105.331 25.350 35.608    14.142  61.800    19.355  5.6080    20.714  138.298 27.073 68.630  29.924 69.66731       40.35361 
1 1 1 9   3  34 o 250.359 19.316 187.342   25.727  212.909   41.302  171.132   32.886  246.559 32.000 227.861 27.474 18.69846       42.17607 
1 1 1 9   3  36 o 82.550  30.786 25.274    18.274  16.212    22.083  44.962    32.550  74.029  31.569 96.554  39.520 -22.52496      50.58096 
1 1 1 9   3  38 f 90.125  32.299 36.863    19.813  27.113    26.127  50.059    30.395  77.333  33.666 92.286  38.029 -14.95334      50.78997 
1 1 1 9   4  1  o 245.741 12.851 162.542   16.872  162.382   23.965  162.700   23.758  245.098 18.372 245.359 18.190 -0.2611084     25.85337 
1 1 1 9   4  3  o 535.503 17.013 770.497   48.843  813.405   84.575  749.025   59.829  548.276 28.874 527.656 21.149 20.61920       35.79087 
1 1 1 9   4  5  o 359.759 15.913 347.661   30.693  331.468   53.605  355.559   37.437  349.291 28.884 363.139 19.298 -13.84814      34.73820 
1 1 1 9   4  7  o 709.910 16.084 1354.00   61.216  1540.75   123.097 1292.65   70.560  755.115 30.406 693.334 18.982 61.78149       35.84492 
1 1 1 9   4  9  o 357.967 15.366 344.309   29.491  365.458   52.152  334.368   35.756  366.980 26.690 352.034 19.016 14.94586       32.77111 
1 1 1 9   4  11 o 664.700 23.031 1191.74   82.074  1157.87   116.683 1224.91   115.468 652.124 33.487 671.947 32.052 -19.82275      46.35402 
1 1 1 9   4  13 o 551.357 14.292 817.199   42.247  772.216   59.706  862.304   59.786  535.127 20.811 565.653 19.714 -30.52600      28.66588 
1 1 1 9   4  15 o 524.978 17.043 742.277   47.969  731.122   58.593  764.950   83.533  520.386 21.001 529.665 29.534 -9.278809      36.23947 
1 1 1 9   4  17 o 213.535 16.269 123.601   18.485  132.550   32.261  119.227   22.555  218.873 28.145 209.031 20.385 9.841232       34.75173 
1 1 1 9   4  19 o 188.578 16.048 96.745    16.071  98.926    26.327  95.450    20.289  188.312 26.836 186.410 20.648 1.901596       33.86043 
1 1 1 9   4  21 o 65.172  19.822 11.659    7.5426  9.5262    9.4683  15.364    12.478  63.026  22.355 76.643  25.731 -13.61704      34.08600 
1 1 1 9   4  23 o 458.760 17.110 575.096   42.084  560.718   73.849  582.010   51.213  442.313 31.345 459.435 20.792 -17.12231      37.61369 
1 1 1 9   4  25 o 59.879  21.166 8.9079    8.4809  5.5703    12.498  11.757    11.546  61.252  24.702 68.780  24.656 -7.527935      34.90097 
1 1 1 9   4  27 o 84.916  35.493 11.008    27.012  11.008    27.012  0.0000    0.0000  84.916  35.493 ?       ?      0.000000       35.49273 
1 1 1 9   4  29 o 192.454 16.404 104.178   16.764  108.223   23.197  99.755    24.254  192.007 22.992 182.514 25.482 9.492706       34.32102 
1 1 1 9   4  31 o 153.977 19.877 69.990    16.025  72.036    22.514  67.889    22.816  148.790 29.265 143.077 30.666 5.713043       42.38940 
1 1 1 9   4  33 o 118.104 30.790 48.697    19.696  -17.0592  37.964  72.913    23.039  72.074  34.507 146.061 30.410 -73.98651      45.99406 
1 1 1 9   4  35 o 266.956 17.287 210.562   24.609  193.410   34.842  227.635   34.762  239.551 27.636 265.271 24.727 -25.71964      37.08323 
1 1 1 9   4  37 o 200.384 24.842 137.367   26.116  152.843   32.275  108.016   44.448  200.175 31.082 123.705 47.584 76.46934       56.83573 
1 1 1 9   5  0  o 401.185 15.668 432.263   33.699  449.381   41.350  398.410   58.151  408.879 18.863 383.287 28.502 25.59265       34.17897 
1 1 1 9   5  2  o 360.061 14.978 348.132   28.914  369.358   35.487  306.216   49.869  370.740 17.854 335.830 27.951 34.90979       33.16697 
1 1 1 9   5  4  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 9   5  6  o 288.210 12.986 222.993   20.066  205.917   40.754  228.458   23.054  274.822 28.053 291.281 14.811 -16.45892      31.72270 
1 1 1 9   5  8  o 330.168 15.225 292.894   26.951  305.273   47.398  286.979   32.763  335.256 26.588 326.082 18.821 9.173889       32.57538 
1 1 1 9   5  10 o 182.595 20.960 90.988    20.147  109.671   27.979  70.872    29.033  199.704 26.810 158.454 35.100 41.24944       44.16753 
1 1 1 9   5  12 o 127.298 23.373 45.112    15.364  38.834    21.729  51.389    21.727  117.858 33.051 134.979 30.714 -17.12136      45.11908 
1 1 1 9   5  14 o 122.287 17.257 41.057    10.999  54.362    21.852  36.542    12.730  138.806 30.220 114.509 21.525 24.29747       37.10238 
1 1 1 9   5  16 o 130.308 21.021 47.045    14.186  44.990    17.980  50.434    23.088  126.262 27.352 133.193 32.597 -6.930595      42.55223 
1 1 1 9   5  18 o 107.038 19.050 31.926    10.531  30.778    12.142  35.410    21.160  104.496 22.350 112.194 32.986 -7.698128      39.84484 
1 1 1 9   5  20 o 85.160  18.857 20.485    8.3823  23.558    10.999  16.228    12.946  91.014  22.636 78.598  26.209 12.41608       34.63093 
1 1 1 9   5  22 o 376.063 13.201 383.103   26.616  373.372   37.716  392.758   37.566  368.677 19.147 378.874 18.494 -10.19702      26.62010 
1 1 1 9   5  24 o 63.882  25.713 6.1558    13.514  20.444    23.281  -1.1045   16.596  91.983  34.660 61.722  26.851 30.26112       43.84396 
1 1 1 9   5  26 o 437.993 21.073 538.505   49.483  600.130   71.841  482.876   68.257  451.564 29.843 402.368 31.903 49.19656       43.68477 
1 1 1 9   5  28 f 163.720 20.402 77.028    17.519  101.604   22.169  36.159    28.589  187.000 22.569 107.197 38.751 79.80262       44.84394 
1 1 1 9   5  30 o 102.411 29.082 34.027    16.714  27.435    23.847  40.391    23.433  93.185  35.086 108.132 35.224 -14.94688      49.71665 
1 1 1 9   5  32 o 182.152 18.967 97.772    18.251  89.281    26.170  105.813   25.467  162.422 31.186 181.770 26.949 -19.34807      41.21731 
1 1 1 9   5  34 o 60.891  27.542 -0.6916   19.249  0.0000    0.0000  -0.6916   19.249  ?       ?      60.891  27.542 0.000000       27.54183 
1 1 1 9   5  36 o 46.980  22.651 -16.2576  17.028  -31.2032  18.915  47.636    39.110  43.773  21.667 94.605  41.187 -50.83172      46.53880 
1 1 1 9   5  38 f 87.321  31.267 34.451    18.564  49.858    25.087  15.806    27.599  96.278  36.038 69.285  31.953 26.99297       48.16369 
1 1 1 9   6  1  o 745.425 18.600 1493.49   74.336  1433.96   90.990  1612.95   128.902 729.875 23.253 772.825 31.110 -42.95050      38.84005 
1 1 1 9   6  3  o 289.972 27.502 228.779   42.244  228.779   42.244  0.0000    0.0000  289.972 27.502 ?       ?      0.000000       27.50182 
1 1 1 9   6  5  o 452.844 16.280 551.016   39.526  551.163   48.320  550.720   68.715  452.639 19.911 450.728 28.584 1.910553       34.83515 
1 1 1 9   6  7  o 1031.32 28.969 2875.22   160.177 2817.77   226.601 2932.59   226.449 1016.47 41.581 1037.34 40.717 -20.86737      58.19697 
1 1 1 9   6  9  o 441.682 20.147 525.380   47.707  536.345   67.658  514.537   67.280  444.343 28.552 435.085 29.010 9.257782       40.70341 
1 1 1 9   6  11 o 170.887 30.637 81.565    27.038  0.0000    0.0000  81.565    27.038  ?       ?      170.887 30.637 0.000000       30.63703 
1 1 1 9   6  13 o 865.553 37.292 2050.63   173.054 0.0000    0.0000  2050.63   173.054 ?       ?      865.553 37.292 0.000000       37.29218 
1 1 1 9   6  15 o 767.579 24.593 1597.50   101.204 1622.30   143.237 1572.78   143.013 769.186 34.734 757.112 35.233 12.07397       49.47495 
1 1 1 9   6  17 o 546.031 21.581 809.105   63.177  783.524   89.439  834.578   89.251  532.839 31.448 550.511 30.357 -17.67151      43.70949 
1 1 1 9   6  19 o 281.762 12.413 214.109   18.751  223.349   26.422  204.734   26.614  286.464 17.285 273.991 18.222 12.47342       25.11557 
1 1 1 9   6  21 o 135.066 33.778 53.957    24.397  53.957    24.397  0.0000    0.0000  135.066 33.778 ?       ?      0.000000       33.77839 
1 1 1 9   6  23 o 236.115 13.997 152.162   17.640  168.273   25.149  136.559   24.749  246.465 19.183 221.105 21.135 25.36081       28.54292 
1 1 1 9   6  25 o 180.642 17.842 90.983    17.054  139.517   33.702  74.279    19.772  217.482 29.679 160.693 23.658 56.78972       37.95398 
1 1 1 9   6  27 o 197.022 17.524 108.908   18.318  100.359   30.632  113.666   22.854  179.476 33.052 198.973 21.779 -19.49655      39.58281 
1 1 1 9   6  29 o 118.339 21.853 41.746    13.354  41.761    19.742  41.732    18.131  112.977 31.441 114.067 29.446 -1.090309      43.07669 
1 1 1 9   6  31 o 202.871 17.499 118.873   18.847  149.155   27.584  92.360    25.811  221.154 23.630 167.940 29.756 53.21480       37.99745 
1 1 1 9   6  33 o 53.221  24.511 -6.1355   16.160  -11.0293  18.937  6.9772    30.998  54.479  25.570 77.438  34.995 -22.95870      43.34114 
1 1 1 9   6  35 o 90.660  34.740 32.677    23.635  0.0000    0.0000  32.677    23.635  ?       ?      90.660  34.740 0.000000       34.73972 
1 1 1 9   6  37 o 95.982  31.599 39.113    18.840  46.409    24.350  28.229    29.740  97.570  35.687 79.473  35.207 18.09669       50.13064 
1 1 1 9   7  0  o 993.374 28.122 2662.32   149.772 2653.16   211.472 2671.53   212.149 988.458 39.905 991.877 39.894 -3.418701      56.42646 
1 1 1 9   7  2  o 709.733 18.709 1354.39   71.188  1258.56   122.892 1402.79   87.332  681.873 33.616 721.805 22.568 -39.93280      40.48890 
1 1 1 9   7  4  o 99.839  22.533 27.911    11.775  0.0000    0.0000  27.911    11.775  ?       ?      99.839  22.533 0.000000       22.53347 
1 1 1 9   7  6  o 359.110 15.048 346.508   28.972  304.289   49.534  368.461   35.719  334.441 27.880 370.124 18.001 -35.68359      33.18610 
1 1 1 9   7  8  o 129.689 32.886 47.400    22.899  0.0000    0.0000  47.400    22.899  ?       ?      129.689 32.886 0.000000       32.88628 
1 1 1 9   7  10 o 588.086 21.949 932.878   69.203  915.657   98.024  949.990   97.712  579.866 31.650 590.867 30.953 -11.00153      44.26991 
1 1 1 9   7  12 o 188.748 21.411 97.369    21.283  124.465   30.199  70.630    29.999  212.645 27.105 157.714 36.240 54.93050       45.25504 
1 1 1 9   7  14 o 580.614 21.937 911.930   68.285  899.383   96.650  924.436   96.489  573.013 31.583 581.157 31.081 -8.144348      44.31111 
1 1 1 9   7  16 o 282.730 20.186 217.660   30.398  218.759   42.833  216.545   43.146  281.216 28.816 279.658 29.208 1.557953       41.03035 
1 1 1 9   7  18 o 401.116 29.394 447.767   62.772  447.767   62.772  0.0000    0.0000  401.116 29.394 ?       ?      0.000000       29.39427 
1 1 1 9   7  20 o 333.725 20.187 306.115   35.949  331.115   50.923  281.277   50.757  343.362 27.904 314.946 30.440 28.41638       41.29394 
1 1 1 9   7  22 o 427.629 20.795 505.244   47.677  495.608   67.100  515.068   67.754  415.749 30.313 424.157 29.988 -8.407593      42.63960 
1 1 1 9   7  24 o 168.919 21.358 80.756    18.911  0.0000    0.0000  80.756    18.911  ?       ?      168.919 21.358 0.000000       21.35846 
1 1 1 9   7  26 f 77.237  22.321 17.369    9.7635  24.169    14.008  10.944    13.616  90.149  26.923 69.449  26.426 20.69955       37.72466 
1 1 1 9   7  28 o 103.775 26.106 33.234    14.512  79.333    35.961  24.267    15.860  147.579 42.892 88.979  28.978 58.59964       51.76330 
1 1 1 9   7  30 f 187.758 17.226 101.189   17.147  125.429   25.775  81.942    22.967  203.080 24.146 160.905 27.618 42.17529       36.68504 
1 1 1 9   7  32 o 188.584 21.212 106.896   21.074  127.507   26.787  73.418    34.139  201.701 25.330 132.955 42.442 68.74542       49.42646 
1 1 1 9   7  34 o 89.009  31.740 28.662    19.111  48.973    23.913  -7.2452   31.795  111.190 35.524 69.365  32.734 41.82500       48.30653 
1 1 1 9   7  36 o 194.153 24.238 126.426   24.680  180.184   38.109  87.593    32.390  211.813 34.765 132.426 41.218 79.38657       53.92171 
1 1 1 9   8  1  f 664.954 18.366 1189.02   65.475  1178.47   80.122  1210.22   113.598 661.465 22.593 668.786 31.682 -7.320740      38.91258 
1 1 1 9   8  3  o 365.941 12.935 359.572   25.377  346.566   35.929  372.519   35.849  358.448 18.761 372.184 17.966 -13.73557      25.97581 
1 1 1 9   8  5  o 420.817 15.836 475.987   35.729  487.700   62.602  470.328   43.511  423.911 27.697 418.025 19.415 5.885345       33.82423 
1 1 1 9   8  7  o 296.114 13.580 235.559   21.558  260.340   30.608  211.161   30.370  310.472 18.472 279.244 20.427 31.22800       27.54046 
1 1 1 9   8  9  o 384.468 28.533 402.604   58.394  0.0000    0.0000  402.604   58.394  ?       ?      384.468 28.533 0.000000       28.53285 
1 1 1 9   8  11 o 284.262 20.119 219.035   30.464  211.871   43.236  226.099   42.931  277.778 29.483 287.325 28.234 -9.547577      40.82138 
1 1 1 9   8  13 o 215.286 30.542 128.879   34.263  128.879   34.263  0.0000    0.0000  215.286 30.542 ?       ?      0.000000       30.54178 
1 1 1 9   8  15 o 296.653 20.230 239.620   31.982  240.659   45.052  238.565   45.409  294.966 28.858 293.548 29.242 1.417938       41.08411 
1 1 1 9   8  17 o 306.009 20.106 255.984   32.803  276.476   46.570  235.803   46.214  315.350 27.830 290.143 30.149 25.20770       41.03047 
1 1 1 9   8  19 o 332.634 20.313 304.032   36.051  292.299   51.141  315.622   50.828  321.547 30.012 335.015 28.572 -13.46796      41.43790 
1 1 1 9   8  21 o 201.037 31.764 117.938   33.099  0.0000    0.0000  117.938   33.099  ?       ?      201.037 31.764 0.000000       31.76403 
1 1 1 9   8  23 f 219.508 15.663 132.517   18.312  122.405   21.868  156.252   33.504  209.379 19.713 232.754 27.372 -23.37500      33.73129 
1 1 1 9   8  25 f 293.780 13.369 235.953   21.057  266.768   30.230  206.906   29.349  309.270 18.313 270.999 20.349 38.27087       27.37617 
1 1 1 9   8  27 o 69.387  25.132 12.630    12.034  16.628    14.077  1.7741    23.194  77.170  27.270 71.921  31.504 5.248268       41.66711 
1 1 1 9   8  29 o 103.455 32.209 35.674    19.776  67.860    39.466  24.882    22.852  129.501 45.672 90.279  34.263 39.22150       57.09528 
1 1 1 9   8  31 o 144.876 21.461 63.103    16.165  65.320    23.730  61.183    22.080  138.139 32.572 134.848 31.166 3.291473       45.08047 
1 1 1 9   8  33 o 89.936  32.156 28.493    19.628  23.093    23.705  40.269    35.003  84.483  34.038 99.445  40.875 -14.96258      53.19139 
1 1 1 9   8  35 o 228.351 26.515 177.327   31.858  184.673   45.002  169.947   45.105  201.957 42.887 187.904 45.302 14.05305       62.38269 
1 1 1 9   9  0  o 629.037 15.657 1063.32   52.802  1104.14   74.771  1022.72   74.577  640.258 21.782 616.093 22.578 24.16589       31.37270 
1 1 1 9   9  2  o 129.606 18.821 46.131    12.696  55.066    15.286  26.263    22.795  141.521 20.764 102.258 34.776 39.26341       40.50356 
1 1 1 9   9  4  o 1047.71 20.450 2956.26   114.870 2952.05   162.487 2960.47   162.414 1044.51 29.016 1046.01 28.961 -1.506836      40.99596 
1 1 1 9   9  6  o 582.013 21.034 912.930   65.634  984.030   93.852  844.872   91.822  602.792 29.041 557.362 30.848 45.42944       42.36731 
1 1 1 9   9  8  o 556.214 21.131 834.425   63.014  858.128   90.348  811.973   87.932  561.515 30.121 546.155 30.147 15.36029       42.61621 
1 1 1 9   9  10 o 118.603 25.711 39.567    15.877  18.465    21.896  62.968    23.058  91.864  33.804 149.623 29.791 -57.75854      45.05815 
1 1 1 9   9  12 o 321.994 20.277 281.459   34.825  285.891   49.319  277.052   49.182  322.496 28.829 317.318 29.238 5.177490       41.06065 
1 1 1 9   9  14 o 320.830 20.271 280.324   34.688  298.920   48.861  261.427   49.255  329.069 27.960 306.792 30.343 22.27768       41.26113 
1 1 1 9   9  16 o 82.467  27.335 17.979    14.090  20.453    20.347  15.700    19.529  91.505  32.738 84.952  31.797 6.553001       45.63787 
1 1 1 9   9  18 o 265.448 30.138 199.882   42.131  0.0000    0.0000  199.882   42.131  ?       ?      265.448 30.138 0.000000       30.13793 
1 1 1 9   9  20 o 159.274 23.709 71.866    19.628  77.111    28.083  66.856    27.444  161.190 33.586 149.370 34.899 11.82051       48.43531 
1 1 1 9   9  22 o 208.483 23.925 123.343   26.257  117.000   39.269  128.473   35.313  194.601 38.997 208.084 32.735 -13.48241      50.91489 
1 1 1 9   9  24 o 60.890  26.363 0.0406    15.848  7.5910    24.986  -5.0414   20.499  80.532  33.926 64.629  28.892 15.90266       44.56142 
1 1 1 9   9  26 o 97.152  37.989 25.833    28.692  25.833    28.692  0.0000    0.0000  97.152  37.989 ?       ?      0.000000       37.98891 
1 1 1 9   9  28 o 176.785 16.933 88.867    15.853  100.015   23.133  78.997    21.767  182.461 24.249 160.500 26.200 21.96056       35.69956 
1 1 1 9   9  30 o 49.771  22.603 -4.7027   13.121  -19.8575  37.155  -2.5432   14.025  73.310  34.829 53.321  23.863 19.98991       42.21932 
1 1 1 9   9  32 o 138.763 25.676 61.484    18.398  56.143    30.325  64.596    23.144  117.493 40.111 136.017 32.231 -18.52344      51.45608 
1 1 1 9   9  34 o 87.603  33.237 29.110    21.501  21.366    26.634  43.601    36.431  80.991  34.607 96.661  40.856 -15.66939      53.54330 
1 1 1 9   10 1  o 242.425 16.037 158.685   20.726  157.965   25.961  159.949   34.418  241.355 20.250 241.812 27.010 -0.4569855     33.75790 
1 1 1 9   10 3  o 534.972 17.142 769.900   49.167  754.160   60.121  801.688   85.436  528.983 21.199 543.272 29.443 -14.28876      36.28020 
1 1 1 9   10 5  o 442.932 14.148 527.312   33.597  552.021   47.686  502.957   47.343  452.633 19.651 431.959 20.443 20.67407       28.35602 
1 1 1 9   10 7  o 569.348 17.104 872.856   52.208  933.169   91.433  843.679   63.595  586.214 29.092 559.078 21.217 27.13574       36.00710 
1 1 1 9   10 9  o 316.699 16.044 270.849   27.153  276.440   33.125  259.398   47.405  319.418 19.436 307.324 29.119 12.09409       35.00908 
1 1 1 9   10 11 o 502.101 21.232 683.263   57.156  699.519   80.946  667.099   80.715  504.447 30.067 492.306 30.734 12.14053       42.99538 
1 1 1 9   10 13 o 335.604 28.840 312.073   51.387  0.0000    0.0000  312.073   51.387  ?       ?      335.604 28.840 0.000000       28.84020 
1 1 1 9   10 15 o 200.015 31.218 113.866   32.383  0.0000    0.0000  113.866   32.383  ?       ?      200.015 31.218 0.000000       31.21780 
1 1 1 9   10 17 o 191.647 22.517 102.316   22.694  89.242    31.822  115.848   32.375  174.220 35.279 200.912 31.058 -26.69273      47.00167 
1 1 1 9   10 19 o 315.746 21.327 276.253   35.892  307.111   52.789  249.724   48.946  327.661 30.396 294.562 31.481 33.09842       43.76028 
1 1 1 9   10 21 o 105.434 30.482 32.862    18.205  69.205    26.956  2.3821    24.686  151.280 34.056 77.229  33.167 74.05116       47.53816 
1 1 1 9   10 23 o 165.491 39.864 88.029    34.949  88.029    34.949  0.0000    0.0000  165.491 39.864 ?       ?      0.000000       39.86362 
1 1 1 9   10 25 o 237.457 17.082 157.928   21.602  151.871   25.908  171.743   39.128  230.188 21.232 236.066 31.718 -5.877563      38.16882 
1 1 1 9   10 27 o 95.591  33.611 28.699    21.358  58.596    31.104  2.0239    29.380  127.960 40.476 78.191  34.798 49.76892       53.37840 
1 1 1 9   10 29 o 120.161 24.070 44.202    14.966  35.871    16.733  77.517    33.462  105.421 28.792 144.153 41.223 -38.73209      50.28292 
1 1 1 9   10 31 o 88.604  31.173 25.927    18.375  71.748    47.386  17.818    19.935  122.784 48.570 79.533  31.490 43.25019       57.88449 
1 1 1 9   10 33 o 60.257  27.424 -1.4383   19.450  -45.9514  52.242  5.7243    20.956  71.929  35.676 66.970  29.616 4.958954       46.36676 
1 1 1 9   11 0  o 358.062 15.691 344.791   30.121  383.755   53.454  326.663   36.461  375.687 26.713 347.659 19.642 28.02802       33.15681 
1 1 1 9   11 2  o 623.824 18.233 1048.08   60.980  1011.10   105.437 1066.66   74.750  608.839 32.418 628.628 22.179 -19.78967      39.27907 
1 1 1 9   11 4  o 653.904 22.985 1155.79   80.580  1133.21   114.165 1178.20   113.749 643.793 33.189 657.580 32.265 -13.78668      46.28761 
1 1 1 9   11 6  o 248.281 16.287 166.764   21.560  162.800   38.876  168.525   25.909  242.521 30.579 249.095 19.558 -6.574356      36.29879 
1 1 1 9   11 8  o 409.393 19.786 453.304   43.427  0.0000    0.0000  453.304   43.427  ?       ?      409.393 19.786 0.000000       19.78551 
1 1 1 9   11 10 o 99.440  23.190 27.969    12.136  0.0000    0.0000  27.969    12.136  ?       ?      99.440  23.190 0.000000       23.19046 
1 1 1 9   11 12 o 249.210 18.814 169.482   24.953  191.881   37.826  152.226   33.201  262.831 27.240 233.892 26.971 28.93855       38.33302 
1 1 1 9   11 14 o 167.121 33.128 80.826    28.633  0.0000    0.0000  80.826    28.633  ?       ?      167.121 33.128 0.000000       33.12785 
1 1 1 9   11 16 o 141.406 26.563 57.222    19.398  51.161    29.490  61.845    25.755  131.439 39.020 144.915 33.774 -13.47505      51.60678 
1 1 1 9   11 18 o 227.105 36.418 152.736   42.843  152.736   42.843  0.0000    0.0000  227.105 36.418 ?       ?      0.000000       36.41758 
1 1 1 9   11 20 o 137.792 42.751 59.453    34.875  59.453    34.875  0.0000    0.0000  137.792 42.751 ?       ?      0.000000       42.75134 
1 1 1 9   11 22 o 240.832 22.046 164.244   28.150  206.306   41.421  128.145   38.373  264.673 29.703 203.379 36.536 61.29462       47.08637 
1 1 1 9   11 24 o 188.990 26.113 105.799   25.752  112.733   36.059  98.579    36.790  186.509 37.364 171.233 40.677 15.27553       55.23308 
1 1 1 9   11 26 o 142.960 42.341 73.527    34.754  0.0000    0.0000  73.527    34.754  ?       ?      142.960 42.341 0.000000       42.34138 
1 1 1 9   11 28 o 78.449  32.395 12.657    22.116  19.691    32.705  6.7296    30.022  91.836  38.758 81.165  35.690 10.67100       52.68701 
1 1 1 9   11 30 o 82.003  27.376 21.101    14.123  30.116    15.660  -18.1565  32.681  95.939  28.424 69.178  32.807 26.76098       43.40782 
1 1 1 9   11 32 o 158.691 56.728 158.561   61.082  158.561   61.082  0.0000    0.0000  158.691 56.728 ?       ?      0.000000       56.72784 
1 1 1 9   12 1  o 535.101 30.672 783.331   87.626  0.0000    0.0000  783.331   87.626  ?       ?      535.101 30.672 0.000000       30.67205 
1 1 1 9   12 3  o 173.203 17.395 81.718    15.934  70.785    28.813  86.535    19.125  157.559 35.017 177.765 20.439 -20.20557      40.54589 
1 1 1 9   12 5  o 520.399 17.317 731.051   48.316  741.174   59.184  710.825   83.656  523.108 21.103 508.454 30.834 14.65369       37.36424 
1 1 1 9   12 7  o 697.746 19.490 1318.69   72.908  1359.99   89.269  1235.94   126.352 706.910 23.554 666.741 35.475 40.16943       42.58221 
1 1 1 9   12 9  o 351.978 14.037 334.231   26.489  371.797   37.747  297.778   37.183  369.754 19.107 330.264 21.110 39.49045       28.47268 
1 1 1 9   12 11 o 194.206 14.117 102.402   14.598  122.343   21.366  84.943    19.991  211.343 19.061 175.158 21.757 36.18484       28.92560 
1 1 1 9   12 13 o 268.490 18.989 197.341   27.158  234.658   42.241  171.049   35.457  289.742 27.523 247.132 27.212 42.60982       38.70449 
1 1 1 9   12 15 o 113.686 24.081 36.990    14.221  36.990    14.221  0.0000    0.0000  113.686 24.081 ?       ?      0.000000       24.08053 
1 1 1 9   12 17 o 232.106 22.619 150.413   27.789  147.097   42.117  152.971   36.981  222.725 36.538 230.365 30.708 -7.640442      47.72838 
1 1 1 9   12 19 o 355.030 21.793 351.722   41.280  385.823   59.908  320.892   56.962  364.835 30.919 331.253 32.492 33.58218       44.85213 
1 1 1 9   12 21 o 145.450 31.119 64.166    23.533  56.038    35.500  70.538    31.432  131.498 43.380 148.354 39.002 -16.85602      58.33511 
1 1 1 9   12 23 o 239.012 34.028 177.786   42.373  0.0000    0.0000  177.786   42.373  ?       ?      239.012 34.028 0.000000       34.02847 
1 1 1 9   12 25 f 169.626 18.170 81.688    16.267  71.533    18.531  115.796   33.962  156.177 22.804 189.982 34.618 -33.80565      41.45430 
1 1 1 9   12 27 o 69.052  22.962 13.628    9.9391  11.823    10.517  28.706    30.397  66.264  23.555 98.542  38.926 -32.27734      45.49802 
1 1 1 9   12 29 o 117.777 27.462 44.389    17.022  44.389    17.022  0.0000    0.0000  117.777 27.462 ?       ?      0.000000       27.46224 
1 1 1 9   12 31 o 207.922 34.269 153.686   36.870  204.442   60.343  123.448   46.575  200.678 54.623 159.730 49.380 40.94759       73.63416 
1 1 1 9   13 0  f 146.679 19.394 59.188    14.877  61.538    27.626  58.228    17.656  146.433 35.546 144.607 23.587 1.826324       42.66021 
1 1 1 9   13 2  o 277.837 14.139 208.545   20.991  211.730   30.277  205.597   29.128  278.802 20.397 274.818 19.904 3.983521       28.49985 
1 1 1 9   13 4  o 121.066 17.133 40.387    10.810  41.691    16.896  39.484    14.065  121.187 26.724 118.525 22.963 2.661850       35.23451 
1 1 1 9   13 6  o 148.042 23.205 61.121    17.813  44.494    27.790  72.716    23.207  125.248 38.038 160.540 27.980 -35.29161      47.22034 
1 1 1 9   13 8  o 153.044 15.139 63.911    12.259  70.370    17.403  57.548    17.271  159.483 20.852 143.394 23.263 16.08841       31.24068 
1 1 1 9   13 10 o 120.964 27.666 41.995    17.553  41.995    17.553  0.0000    0.0000  120.964 27.666 ?       ?      0.000000       27.66623 
1 1 1 9   13 12 f 193.557 14.929 102.082   15.372  123.122   22.903  84.834    20.737  211.275 20.477 174.402 22.717 36.87230       30.58365 
1 1 1 9   13 14 o 230.417 14.473 144.516   17.789  155.698   20.448  109.724   36.069  238.787 16.066 192.891 36.208 45.89653       39.61230 
1 1 1 9   13 16 o 205.810 19.044 117.168   20.775  112.842   24.564  128.036   38.937  200.425 23.294 207.424 36.338 -6.999268      43.16317 
1 1 1 9   13 18 o 75.474  22.729 16.123    9.9529  18.099    10.816  5.1992    25.431  79.640  23.628 80.310  34.051 -0.6699371     41.44548 
1 1 1 9   13 20 o 98.172  22.340 28.147    11.494  26.724    12.585  35.304    28.222  95.168  24.514 109.213 38.611 -14.04525      45.73570 
1 1 1 9   13 22 f 268.045 23.287 206.691   33.132  248.338   47.389  166.865   46.341  286.381 31.378 226.994 39.514 59.38753       50.45746 
1 1 1 9   13 24 o 197.107 26.830 115.890   27.616  108.924   40.152  122.143   38.044  177.810 42.665 193.141 38.094 -15.33034      57.19605 
1 1 1 9   13 26 o 168.435 24.012 84.277    21.070  84.277    21.070  0.0000    0.0000  168.435 24.012 ?       ?      0.000000       24.01228 
1 1 1 9   13 28 o 92.118  35.870 25.860    25.498  7.1565    38.312  40.733    34.164  86.722  39.074 107.081 41.569 -20.35863      57.05075 
1 1 1 9   13 30 o 82.559  34.818 18.164    26.365  30.065    40.805  9.6352    34.543  95.412  41.790 81.828  36.964 13.58427       55.79185 
1 1 1 9   14 1  o 344.211 16.299 320.257   30.079  353.487   37.138  256.888   51.285  360.538 19.283 303.198 32.034 57.33966       37.39015 
1 1 1 9   14 3  o 392.787 16.217 417.213   34.150  450.256   42.571  357.569   57.195  407.254 19.497 358.719 30.015 48.53561       35.79187 
1 1 1 9   14 5  o 210.529 20.846 121.804   23.220  119.060   34.658  124.038   31.277  204.571 32.701 210.303 28.472 -5.732407      43.35932 
1 1 1 9   14 7  o 191.040 14.549 99.216    14.790  127.433   21.181  72.371    20.660  215.807 18.485 160.618 24.790 55.18823       30.92342 
1 1 1 9   14 9  o 399.681 13.785 431.832   29.538  530.904   42.772  341.507   40.840  441.843 18.056 352.632 21.708 89.21082       28.23533 
1 1 1 9   14 11 o 181.062 15.410 89.542    14.817  122.672   22.224  63.031    19.880  210.969 19.883 148.944 25.832 62.02515       32.59798 
1 1 1 9   14 13 o 146.602 22.753 60.597    17.304  59.280    20.178  64.257    33.637  143.552 27.214 145.479 41.237 -1.926712      49.40794 
1 1 1 9   14 15 o 178.766 24.256 90.555    22.647  100.207   29.468  76.630    35.395  185.391 30.724 157.101 41.430 28.28947       51.57877 
1 1 1 9   14 17 o 244.874 18.232 166.160   23.764  150.256   28.484  202.584   43.105  230.385 23.385 262.754 31.210 -32.36894      38.99851 
1 1 1 9   14 19 o 86.456  28.742 21.225    15.574  31.954    18.840  -1.9236   27.673  103.055 31.324 77.073  34.061 25.98253       46.27484 
1 1 1 9   14 21 o 214.633 19.798 130.032   22.525  133.818   27.224  121.815   40.103  215.296 23.994 193.803 39.925 21.49280       46.58035 
1 1 1 9   14 23 o 110.610 35.008 38.755    23.265  38.755    23.265  0.0000    0.0000  110.610 35.008 ?       ?      0.000000       35.00800 
1 1 1 9   14 25 o 158.270 32.593 79.955    26.735  -2.5259   40.226  145.214   35.781  86.673  39.443 215.081 32.005 -128.4081      50.79459 
1 1 1 9   14 27 o 191.980 33.352 121.408   33.083  121.145   51.611  121.592   43.103  166.177 52.081 177.856 45.129 -11.67896      68.91334 
1 1 1 9   14 29 o 117.118 44.864 60.690    39.411  0.0000    0.0000  60.690    39.411  ?       ?      117.118 44.864 0.000000       44.86411 
1 1 1 9   15 0  o 236.875 17.096 152.763   21.565  190.533   40.281  137.587   25.533  261.111 29.278 223.700 21.556 37.41162       36.35768 
1 1 1 9   15 2  o 404.293 16.321 442.562   35.376  488.177   43.830  357.322   59.917  423.780 19.291 357.188 31.615 66.59210       37.03568 
1 1 1 9   15 4  o 272.453 14.344 201.164   20.878  228.406   30.018  175.635   29.059  289.090 19.481 252.735 21.655 36.35464       29.12800 
1 1 1 9   15 6  o 285.152 14.113 219.839   21.576  228.493   30.904  211.609   30.137  288.795 20.085 277.782 20.378 11.01343       28.61234 
1 1 1 9   15 8  o 298.382 16.797 242.596   26.762  222.539   47.545  251.897   32.377  279.703 32.300 303.039 20.042 -23.33542      38.01231 
1 1 1 9   15 10 o 181.446 19.086 90.912    18.289  119.221   32.958  78.317    21.984  203.663 31.177 166.341 25.461 37.32210       40.25232 
1 1 1 9   15 12 o 264.689 16.590 191.760   23.424  219.951   40.632  177.727   28.667  278.718 27.552 253.077 21.327 25.64085       34.84197 
1 1 1 9   15 14 o 88.473  22.678 22.604    10.807  22.548    16.908  22.642    14.052  90.117  29.948 88.937  27.056 1.180145       40.35962 
1 1 1 9   15 16 o 145.182 31.071 63.202    23.454  53.010    33.007  73.598    33.334  130.033 41.756 152.363 40.218 -22.32983      57.97430 
1 1 1 9   15 18 o 103.885 27.991 32.242    15.941  32.242    15.941  0.0000    0.0000  103.885 27.991 ?       ?      0.000000       27.99079 
1 1 1 9   15 20 o 95.073  25.352 26.827    13.159  26.827    13.159  0.0000    0.0000  95.073  25.352 ?       ?      0.000000       25.35220 
1 1 1 9   15 22 o 222.242 26.564 145.503   31.024  155.685   45.137  136.386   42.712  218.443 40.016 203.660 40.543 14.78215       56.96478 
1 1 1 9   15 24 o 165.506 33.174 87.415    28.411  54.300    41.109  117.694   39.309  123.629 46.160 185.598 40.632 -61.96883      61.49563 
1 1 1 9   15 26 o 85.904  34.798 18.794    24.920  0.0000    0.0000  18.794    24.920  ?       ?      85.904  34.798 0.000000       34.79760 
1 1 1 9   16 1  o 234.489 15.442 149.500   19.304  157.960   27.612  141.411   26.999  239.450 21.746 226.219 22.562 13.23091       31.33566 
1 1 1 9   16 3  o 292.979 16.242 233.486   25.413  267.409   44.880  217.477   30.831  309.661 27.313 281.483 20.573 28.17798       34.19372 
1 1 1 9   16 5  o 170.152 24.308 81.268    21.544  104.506   30.196  57.173    30.748  191.172 30.486 138.840 39.451 52.33247       49.85770 
1 1 1 9   16 7  o 158.621 17.921 69.423    14.973  57.507    21.683  80.285    20.702  140.812 29.658 169.135 23.461 -28.32349      37.81588 
1 1 1 9   16 9  o 140.162 18.064 54.534    13.258  53.691    18.762  55.374    18.738  136.528 26.589 138.849 26.130 -2.321075      37.27934 
1 1 1 9   16 11 o 73.230  25.467 13.757    12.246  9.7277    24.600  15.085    14.120  83.621  34.307 77.208  27.309 6.413193       43.84912 
1 1 1 9   16 13 o 202.846 16.457 113.321   17.743  111.936   26.278  114.481   24.055  198.087 25.323 201.544 22.654 -3.456726      33.97763 
1 1 1 9   16 15 o 33.527  16.297 -15.7344  9.2826  13.642    25.283  -20.3112  9.9796  87.027  35.121 32.871  16.169 54.15578       38.66426 
1 1 1 9   16 17 o 193.016 17.875 103.623   18.288  86.665    20.656  165.118   39.335  174.470 22.614 235.745 31.945 -61.27528      39.13903 
1 1 1 9   16 19 o 167.308 32.928 85.576    28.484  96.463    44.039  77.746    37.348  167.832 47.048 152.868 43.494 14.96309       64.07254 
1 1 1 9   16 21 o 261.626 26.129 200.285   36.160  217.106   54.589  187.134   48.269  258.122 40.803 241.662 38.551 16.45966       56.13415 
1 1 1 9   16 23 o 344.939 35.042 379.129   63.905  0.0000    0.0000  379.129   63.905  ?       ?      344.939 35.042 0.000000       35.04247 
1 1 1 9   16 25 o 165.657 46.160 107.209   42.525  0.0000    0.0000  107.209   42.525  ?       ?      165.657 46.160 0.000000       46.16027 
1 1 1 9   17 0  o 211.091 18.883 122.489   21.144  177.561   38.870  99.345    25.198  250.477 29.512 187.875 25.690 62.60135       39.12709 
1 1 1 9   17 2  o 333.052 14.189 300.498   25.336  340.248   36.477  263.445   35.218  352.300 19.387 309.111 21.382 43.18930       28.86287 
1 1 1 9   17 4  o 152.987 18.477 64.813    14.848  59.840    20.925  69.857    21.073  144.035 28.107 156.628 26.006 -12.59395      38.29258 
1 1 1 9   17 6  o 211.977 15.732 122.905   17.752  143.964   24.984  101.432   25.228  227.939 20.669 189.320 25.504 38.61862       32.82791 
1 1 1 9   17 8  o 199.858 19.450 110.693   20.577  104.063   25.364  123.458   35.193  191.582 25.314 205.284 33.102 -13.70227      41.67184 
1 1 1 9   17 10 o 204.911 18.418 116.120   20.017  117.507   24.868  113.569   33.736  204.384 23.100 196.170 33.266 8.214722       40.49951 
1 1 1 9   17 12 o 55.152  22.621 3.3491    10.692  6.0274    15.784  1.0781    14.534  67.579  27.574 60.125  25.625 7.454533       37.64267 
1 1 1 9   17 14 o 170.715 21.133 82.034    18.929  110.593   36.694  71.678    22.096  190.233 37.311 156.990 27.240 33.24319       46.19661 
1 1 1 9   17 16 o 156.712 17.858 68.517    14.736  77.467    21.187  60.131    20.509  163.940 24.888 142.850 27.779 21.08963       37.29746 
1 1 1 9   17 18 o 105.656 27.333 33.406    15.600  24.896    17.459  67.120    34.749  92.619  30.415 142.888 42.343 -50.26913      52.13424 
1 1 1 9   17 20 o 68.566  29.151 3.8634    18.726  -10.3493  21.951  41.861    35.892  62.918  28.824 115.847 43.156 -52.92869      51.89693 
1 1 1 9   17 22 o 112.052 42.714 40.741    35.614  0.0000    0.0000  40.741    35.614  ?       ?      112.052 42.714 0.000000       42.71383 
1 1 1 9   18 1  f 217.833 16.073 129.779   18.639  119.725   26.156  140.151   26.567  206.636 24.060 224.393 22.382 -17.75754      32.86087 
1 1 1 9   18 3  o 394.456 21.012 429.246   44.276  388.306   61.913  472.099   63.343  368.585 31.638 408.529 29.111 -39.94415      42.99269 
1 1 1 9   18 5  o 226.126 18.504 140.851   22.236  149.713   27.111  122.636   38.869  231.890 22.073 202.943 37.091 28.94736       43.16202 
1 1 1 9   18 7  o 78.316  27.135 15.872    13.897  12.969    24.171  17.305    16.985  86.294  34.510 83.303  29.900 2.990761       45.66097 
1 1 1 9   18 9  o 172.709 17.670 82.444    16.131  83.695    24.304  81.459    21.567  170.546 27.517 169.394 24.456 1.152100       36.81381 
1 1 1 9   18 11 o 286.984 18.264 226.996   27.955  228.964   34.187  223.025   48.562  286.250 22.457 275.828 33.528 10.42117       40.35407 
1 1 1 9   18 13 o 120.900 22.241 41.878    13.885  25.551    20.031  56.979    19.264  95.736  32.600 139.853 26.666 -44.11692      42.11677 
1 1 1 9   18 15 o 119.207 25.012 41.575    15.475  53.098    27.208  36.065    18.815  130.545 37.116 109.570 30.766 20.97475       48.20936 
1 1 1 9   18 17 o 219.303 24.018 138.114   27.777  0.0000    0.0000  138.114   27.777  ?       ?      219.303 24.018 0.000000       24.01799 
1 1 1 9   18 19 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 9   19 0  o 281.921 17.858 217.742   26.852  206.925   32.507  240.977   47.642  273.124 22.397 290.573 31.063 -17.44958      38.29562 
1 1 1 9   19 2  o 278.614 15.567 211.660   23.160  227.732   32.899  195.869   32.609  286.861 21.549 265.272 23.161 21.58871       31.63508 
1 1 1 9   19 4  o 249.489 15.907 170.066   21.166  207.060   30.307  134.844   29.573  273.628 20.815 218.627 25.722 55.00075       33.08943 
1 1 1 9   19 6  f 264.390 22.564 194.723   31.677  0.0000    0.0000  194.723   31.677  ?       ?      264.390 22.564 0.000000       22.56360 
1 1 1 9   19 8  o 79.980  26.392 17.391    13.140  -12.6427  20.601  37.990    17.060  60.679  27.845 113.852 28.117 -53.17315      39.57098 
1 1 1 9   19 10 o 71.624  27.946 9.8388    15.500  -5.1095   25.975  18.106    19.316  73.924  32.818 86.114  31.742 -12.19006      45.65692 
1 1 1 9   19 12 o 102.163 25.110 30.555    13.656  36.042    27.162  28.698    15.798  111.168 37.961 98.805  28.346 12.36324       47.37654 
1 1 1 9   19 14 o 122.342 33.422 45.917    22.544  61.686    29.217  22.716    35.439  139.798 37.990 102.716 41.536 37.08255       56.28914 
1 1 1 9   19 16 o 119.600 33.385 44.543    22.224  0.0000    0.0000  44.543    22.224  ?       ?      119.600 33.385 0.000000       33.38527 
1 1 1 9   20 1  o 184.346 19.513 94.184    18.992  109.908   27.143  79.102    26.583  196.809 26.389 164.607 31.265 32.20149       40.91317 
1 1 1 9   20 3  o 116.160 33.569 39.810    22.083  11.607    35.161  58.181    28.378  97.055  40.524 138.785 37.327 -41.73003      55.09522 
1 1 1 9   20 5  o 187.396 21.963 98.396    21.648  127.442   39.708  86.111    25.823  206.159 37.299 172.438 28.959 33.72063       47.22107 
1 1 1 9   20 7  o 335.219 17.397 308.663   31.158  420.935   56.669  260.016   37.303  384.827 27.651 304.841 22.993 79.98584       35.96239 
1 1 1 9   20 9  o 163.659 26.760 77.522    22.668  0.0000    0.0000  77.522    22.668  ?       ?      163.659 26.760 0.000000       26.75986 
1 1 1 9   20 11 o 137.815 27.738 56.028    19.785  57.631    33.741  55.187    24.425  134.696 42.093 134.249 33.922 0.4475098      54.06052 
1 1 1 9   21 0  o 112.377 32.878 37.252    21.067  54.084    41.404  31.372    24.472  134.565 46.825 105.834 36.033 28.73112       59.08429 
1 1 1 9   21 2  o 117.919 30.749 41.212    19.640  118.750   40.103  16.746    22.527  197.307 39.291 87.908  33.859 109.3991       51.86717 
1 1 1 9   21 4  o 209.657 28.444 126.806   31.146  152.120   45.343  104.193   42.857  223.348 39.302 180.971 44.485 42.37733       59.35985 
1 1 1 10  0  0  f 785.918 24.553 1664.88   103.225 1664.88   103.225 1664.88   103.225 785.918 24.553 785.918 24.553 0.000000       0.000000 
1 1 1 10  0  2  o 1089.84 42.619 3222.61   248.159 3222.61   248.159 3222.61   248.159 1089.84 42.619 1089.84 42.619 0.000000       0.000000 
1 1 1 10  0  4  o 1377.01 35.476 5119.53   261.514 5119.53   261.514 5119.53   261.514 1377.01 35.476 1377.01 35.476 0.000000       0.000000 
1 1 1 10  0  6  o 248.408 18.828 168.493   24.744  168.493   24.744  168.493   24.744  248.408 18.828 248.408 18.828 0.000000       0.000000 
1 1 1 10  0  8  o 430.820 19.949 501.668   45.851  501.668   45.851  501.668   45.851  430.820 19.949 430.820 19.949 0.000000       0.000000 
1 1 1 10  0  10 o 742.375 23.917 1486.46   94.968  1486.46   94.968  1486.46   94.968  742.375 23.917 742.375 23.917 0.000000       0.000000 
1 1 1 10  0  12 o 557.615 21.419 839.485   63.817  839.485   63.817  839.485   63.817  557.615 21.419 557.615 21.419 0.000000       0.000000 
1 1 1 10  0  14 f 1118.80 30.566 3383.99   183.033 3383.99   183.033 3383.99   183.033 1118.80 30.566 1118.80 30.566 0.000000       0.000000 
1 1 1 10  0  16 o 563.158 30.737 864.059   92.170  864.059   92.170  864.059   92.170  563.158 30.737 563.158 30.737 0.000000       0.000000 
1 1 1 10  0  18 o 697.208 23.409 1314.98   87.278  1314.98   87.278  1314.98   87.278  697.208 23.409 697.208 23.409 0.000000       0.000000 
1 1 1 10  0  20 o 113.775 28.222 40.799    14.899  40.799    14.899  40.799    14.899  113.775 28.222 113.775 28.222 0.000000       0.000000 
1 1 1 10  0  22 f 370.803 19.909 374.781   39.319  374.781   39.319  374.781   39.319  370.803 19.909 370.803 19.909 0.000000       0.000000 
1 1 1 10  0  24 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 10  0  26 o 462.293 20.757 584.229   51.211  584.229   51.211  584.229   51.211  462.293 20.757 462.293 20.757 0.000000       0.000000 
1 1 1 10  0  28 o 235.958 21.118 155.351   26.223  155.351   26.223  155.351   26.223  235.958 21.118 235.958 21.118 0.000000       0.000000 
1 1 1 10  0  30 o 174.137 44.561 101.862   35.963  101.862   35.963  101.862   35.963  174.137 44.561 174.137 44.561 0.000000       0.000000 
1 1 1 10  0  32 o 73.650  39.912 23.194    22.101  23.194    22.101  23.194    22.101  73.650  39.912 73.650  39.912 0.000000       0.000000 
1 1 1 10  0  34 o 71.374  40.565 21.128    24.136  21.128    24.136  21.128    24.136  71.374  40.565 71.374  40.565 0.000000       0.000000 
1 1 1 10  0  36 o 145.294 65.224 102.539   54.263  102.539   54.263  102.539   54.263  145.294 65.224 145.294 65.224 0.000000       0.000000 
1 1 1 10  0  38 o 124.891 53.115 70.754    36.136  70.754    36.136  70.754    36.136  124.891 53.115 124.891 53.115 0.000000       0.000000 
1 1 1 10  1  1  o 783.562 24.551 1653.92   103.135 0.0000    0.0000  1653.92   103.135 ?       ?      783.562 24.551 0.000000       24.55052 
1 1 1 10  1  3  o 1372.32 28.617 5082.12   210.548 0.0000    0.0000  5082.12   210.548 ?       ?      1372.32 28.617 0.000000       28.61691 
1 1 1 10  1  5  o 1057.38 23.903 3011.57   135.502 3079.71   234.617 2977.47   165.983 1064.28 41.118 1050.06 29.483 14.21826       50.59615 
1 1 1 10  1  7  o 379.851 19.262 389.108   39.099  0.0000    0.0000  389.108   39.099  ?       ?      379.851 19.262 0.000000       19.26207 
1 1 1 10  1  9  o 836.979 25.457 1891.08   114.235 0.0000    0.0000  1891.08   114.235 ?       ?      836.979 25.457 0.000000       25.45731 
1 1 1 10  1  11 o 1016.46 23.185 2788.54   126.350 2741.00   218.647 2812.38   154.817 1000.69 40.754 1019.09 28.336 -18.40118      49.63707 
1 1 1 10  1  13 o 707.433 16.536 1347.01   62.716  1349.82   88.720  1344.19   88.669  706.739 23.415 705.254 23.451 1.485291       33.13892 
1 1 1 10  1  15 o 349.995 13.766 329.475   25.831  340.639   36.329  318.060   36.736  354.810 19.169 342.656 20.085 12.15427       27.76442 
1 1 1 10  1  17 o 626.900 15.707 1059.61   52.792  1105.34   74.724  1014.04   74.594  638.574 21.826 611.339 22.759 27.23480       31.53333 
1 1 1 10  1  19 o 425.215 20.152 491.628   45.941  490.200   65.088  493.047   64.853  420.500 29.049 421.819 28.850 -1.318939      40.94141 
1 1 1 10  1  21 o 253.791 15.967 175.663   21.614  165.927   25.890  198.054   39.264  245.484 19.841 265.028 28.060 -19.54324      34.36620 
1 1 1 10  1  23 o 361.880 15.723 357.480   30.506  340.973   37.372  390.442   52.808  350.998 19.942 371.146 26.718 -20.14865      33.33934 
1 1 1 10  1  25 o 401.720 20.475 451.537   43.951  0.0000    0.0000  451.537   43.951  ?       ?      401.720 20.475 0.000000       20.47464 
1 1 1 10  1  27 o 381.948 19.946 412.085   40.703  0.0000    0.0000  412.085   40.703  ?       ?      381.948 19.946 0.000000       19.94610 
1 1 1 10  1  29 o 256.187 15.152 183.745   20.718  203.463   30.340  166.516   28.360  263.968 21.628 237.874 22.505 26.09427       31.21310 
1 1 1 10  1  31 o 127.522 24.635 51.110    16.233  43.514    21.310  61.611    25.056  110.734 33.237 130.568 35.056 -19.83376      48.30757 
1 1 1 10  1  33 o 154.015 28.337 79.340    22.537  87.713    26.816  59.202    41.586  156.646 32.973 110.505 44.886 46.14196       55.69485 
1 1 1 10  1  35 o 94.101  32.397 34.661    19.794  9.9704    26.019  68.581    30.496  72.048  32.355 121.212 40.217 -49.16451      51.61652 
1 1 1 10  1  37 o 217.905 27.920 175.757   31.868  243.456   63.198  152.674   36.903  162.854 57.757 180.221 39.300 -17.36754      69.85950 
1 1 1 10  2  0  o 1372.27 35.352 5098.54   260.089 5138.95   367.987 5058.19   367.655 1370.89 50.068 1359.88 50.428 11.00708       71.06167 
1 1 1 10  2  2  o 626.883 18.074 1056.22   60.747  1012.35   105.339 1078.07   74.356  611.148 32.264 632.946 21.912 -21.79767      39.00081 
1 1 1 10  2  4  o 873.968 21.181 2055.12   99.244  2105.64   172.149 2029.98   121.459 881.465 36.427 867.773 26.107 13.69202       44.81640 
1 1 1 10  2  6  o 922.883 21.818 2292.85   107.955 2409.02   187.276 2235.03   132.113 942.221 37.073 910.135 27.075 32.08624       45.90729 
1 1 1 10  2  8  o 667.912 16.005 1199.01   57.311  1239.94   81.048  1158.07   81.051  678.381 22.284 655.484 23.064 22.89716       32.07043 
1 1 1 10  2  10 o 772.277 17.060 1604.34   70.636  1569.79   99.843  1638.96   99.945  762.529 24.423 779.259 23.923 -16.72974      34.18709 
1 1 1 10  2  12 o 561.221 14.820 846.908   44.591  835.973   63.074  857.834   63.048  556.709 21.132 563.987 20.851 -7.278259      29.68747 
1 1 1 10  2  14 o 745.864 19.746 1500.79   78.959  1462.84   136.949 1519.68   96.638  731.465 34.922 749.398 24.053 -17.93341      42.40344 
1 1 1 10  2  16 o 355.257 19.393 341.943   36.796  0.0000    0.0000  341.943   36.796  ?       ?      355.257 19.393 0.000000       19.39257 
1 1 1 10  2  18 o 390.773 19.964 415.234   41.686  351.088   58.988  479.228   58.918  355.520 31.266 417.711 26.445 -62.19116      40.95016 
1 1 1 10  2  20 o 150.463 14.902 61.878    11.863  49.248    15.870  77.873    17.860  132.126 23.252 167.741 20.270 -35.61481      30.84712 
1 1 1 10  2  22 o 241.662 16.023 159.818   20.642  152.507   25.144  174.927   36.149  234.643 20.184 248.076 27.650 -13.43237      34.23293 
1 1 1 10  2  24 o 292.779 18.920 237.859   29.540  192.815   40.618  288.427   43.037  256.918 30.057 318.299 25.432 -61.38144      39.37258 
1 1 1 10  2  26 o 375.540 14.239 386.781   28.669  412.406   41.095  362.486   40.014  383.083 20.079 358.388 20.916 24.69489       28.99387 
1 1 1 10  2  28 f 308.361 14.605 263.231   24.145  288.808   34.479  238.618   33.823  317.777 20.345 287.090 22.146 30.68710       30.07243 
1 1 1 10  2  30 o 165.241 18.187 79.160    15.846  97.978    23.253  62.846    21.651  178.460 24.988 138.419 30.038 40.04015       39.07292 
1 1 1 10  2  32 o 77.429  29.102 18.431    16.393  17.186    18.920  22.180    32.834  77.200  30.642 87.741  37.968 -10.54074      48.79008 
1 1 1 10  2  34 o 157.032 29.057 84.830    23.562  90.667    30.049  75.513    37.967  151.120 37.311 122.421 44.595 28.69961       58.14487 
1 1 1 10  2  36 o 114.132 33.912 54.842    22.267  76.308    33.131  37.157    30.073  118.977 41.859 88.229  37.197 30.74857       55.99769 
1 1 1 10  2  38 o 121.169 40.786 90.424    31.351  163.793   65.190  68.348    35.758  101.239 47.492 93.893  40.109 7.345818       62.16339 
1 1 1 10  3  1  o 536.733 17.089 774.021   49.176  778.455   60.324  765.238   84.905  537.961 20.916 531.599 29.912 6.361633       36.49905 
1 1 1 10  3  3  o 379.899 13.428 387.448   27.350  452.926   55.503  366.450   31.431  409.198 25.425 369.354 15.872 39.84363       29.97311 
1 1 1 10  3  5  o 676.253 16.032 1228.67   58.127  1214.68   116.559 1233.30   67.060  670.072 32.445 677.278 18.468 -7.205933      37.33338 
1 1 1 10  3  7  o 742.785 16.863 1483.18   67.152  1568.50   134.798 1455.02   77.446  760.809 33.047 735.328 19.645 25.48071       38.44534 
1 1 1 10  3  9  o 603.344 17.791 979.359   57.548  988.623   99.996  974.772   70.368  603.202 31.026 601.382 21.825 1.820496       37.93328 
1 1 1 10  3  11 o 613.803 17.707 1014.15   58.271  1076.54   71.517  890.925   100.510 631.850 21.112 571.492 32.944 60.35895       39.12790 
1 1 1 10  3  13 o 817.072 20.286 1800.94   88.865  1734.62   108.894 1933.18   153.760 800.468 25.374 841.737 34.072 -41.26935      42.48206 
1 1 1 10  3  15 o 539.727 14.996 784.212   43.392  780.293   61.372  788.130   61.358  537.219 21.308 539.934 21.196 -2.715210      30.05548 
1 1 1 10  3  17 o 880.684 18.289 2097.21   86.355  2010.14   122.099 2184.34   122.149 858.129 26.539 895.187 25.451 -37.05719      36.77074 
1 1 1 10  3  19 o 540.420 21.488 797.127   62.260  818.511   88.175  775.865   87.923  541.997 30.468 527.130 31.250 14.86694       43.64493 
1 1 1 10  3  21 o 259.560 15.460 183.698   21.416  159.069   35.371  197.953   26.909  236.710 28.441 268.411 18.818 -31.70007      34.10302 
1 1 1 10  3  23 o 339.873 13.580 314.104   24.745  290.090   34.638  339.134   35.362  323.355 20.079 350.375 18.895 -27.01984      27.57166 
1 1 1 10  3  25 o 427.085 16.820 503.109   38.513  533.348   47.520  445.226   65.747  436.949 20.285 386.882 31.984 50.06726       37.87448 
1 1 1 10  3  27 o 264.726 16.827 195.696   23.759  215.836   29.779  160.429   39.407  275.602 20.297 226.886 33.395 48.71532       39.07957 
1 1 1 10  3  29 o 189.951 20.420 105.239   20.469  106.196   23.901  102.606   39.644  187.782 24.311 164.326 44.085 23.45570       50.34398 
1 1 1 10  3  31 o 139.935 25.812 62.218    18.651  64.908    36.565  61.272    21.685  122.639 43.885 134.428 30.754 -11.78927      53.58879 
1 1 1 10  3  33 o 83.650  29.576 23.638    16.560  22.937    21.262  24.720    26.401  83.346  32.671 86.281  35.485 -2.934128      48.23514 
1 1 1 10  3  35 o 118.931 29.660 51.639    18.848  61.708    23.863  34.937    30.733  123.655 34.622 89.803  37.718 33.85264       51.19835 
1 1 1 10  3  37 o 102.759 37.962 57.806    27.658  120.830   55.005  36.478    31.997  107.416 47.718 82.367  36.502 25.04807       60.07840 
1 1 1 10  4  0  o 647.107 31.768 1131.34   110.215 1131.34   110.215 0.0000    0.0000  647.107 31.768 ?       ?      0.000000       31.76827 
1 1 1 10  4  2  o 534.283 16.823 766.971   48.188  748.393   59.085  803.875   83.276  527.446 20.894 545.076 28.596 -17.62970      35.41657 
1 1 1 10  4  4  o 1085.04 29.793 3180.56   173.314 3193.12   245.472 3168.08   244.736 1082.95 42.279 1078.68 42.319 4.270752       59.81964 
1 1 1 10  4  6  o 802.257 20.182 1732.23   86.806  1686.19   150.964 1754.98   106.102 788.172 35.726 806.737 24.531 -18.56561      43.33708 
1 1 1 10  4  8  o 739.341 34.088 1484.35   135.118 1484.35   135.118 0.0000    0.0000  739.341 34.088 ?       ?      0.000000       34.08765 
1 1 1 10  4  10 o 777.733 19.639 1629.45   81.888  1685.66   142.236 1601.59   100.151 787.281 33.698 770.060 24.258 17.22107       41.52149 
1 1 1 10  4  12 o 783.218 24.783 1659.23   104.065 1696.93   147.197 1621.56   147.145 788.642 34.813 770.615 35.615 18.02673       49.80379 
1 1 1 10  4  14 o 420.533 19.935 477.415   44.945  405.233   63.331  550.660   63.795  384.356 30.997 449.663 26.581 -65.30707      40.83321 
1 1 1 10  4  16 o 455.582 13.988 558.964   34.165  503.771   48.129  615.031   48.508  431.297 20.814 476.961 18.970 -45.66403      28.16155 
1 1 1 10  4  18 o 298.314 15.158 241.102   24.163  190.341   40.670  268.796   30.041  260.937 29.595 314.386 17.897 -53.44907      34.58527 
1 1 1 10  4  20 o 137.651 15.690 52.076    11.372  66.532    15.566  35.526    16.655  154.977 19.140 110.799 28.020 44.17804       33.93322 
1 1 1 10  4  22 o 174.269 21.680 85.251    19.818  76.454    27.593  94.622    28.481  160.303 33.199 180.010 30.607 -19.70691      45.15490 
1 1 1 10  4  24 o 398.377 16.362 436.000   34.947  406.659   59.652  451.333   43.122  373.242 30.065 402.944 19.961 -29.70218      36.08806 
1 1 1 10  4  26 o 179.596 19.798 91.453    18.746  80.853    22.702  114.176   33.238  165.284 26.515 192.088 33.492 -26.80481      42.71745 
1 1 1 10  4  28 o 345.780 16.782 335.421   31.111  352.615   38.540  303.257   52.712  350.111 20.623 310.035 32.181 40.07590       38.22223 
1 1 1 10  4  30 o 99.423  26.171 31.657    14.141  13.612    20.892  46.914    19.211  76.589  31.541 118.594 30.148 -42.00522      43.63187 
1 1 1 10  4  32 o 171.352 22.025 89.719    19.765  94.370    31.022  86.540    25.644  158.934 37.084 159.066 31.186 -0.1315613     48.45374 
1 1 1 10  4  34 o 159.448 31.270 90.833    25.776  66.561    44.613  102.995   31.580  109.561 45.688 161.261 37.274 -51.69954      58.96378 
1 1 1 10  4  36 o 62.429  27.454 7.7688    17.767  20.522    20.708  -27.8128  34.589  74.955  31.181 60.247  29.725 14.70843       43.07931 
1 1 1 10  5  1  o 884.121 20.564 2102.76   97.474  2052.11   119.327 2204.33   168.981 872.586 25.507 902.247 34.933 -29.66144      43.25456 
1 1 1 10  5  3  o 657.897 15.922 1162.91   56.159  1070.27   79.385  1255.71   79.456  630.307 23.492 682.977 21.700 -52.67017      31.98022 
1 1 1 10  5  5  o 987.918 23.959 2631.14   126.900 2521.58   220.232 2685.60   155.268 961.225 42.735 996.765 29.055 -35.54047      51.67651 
1 1 1 10  5  7  o 577.538 16.789 896.936   51.986  976.098   90.758  858.280   63.421  600.784 28.177 564.464 20.957 36.31946       35.11597 
1 1 1 10  5  9  o 915.206 18.935 2255.41   92.909  2156.84   186.387 2288.00   107.173 888.508 39.128 921.148 21.701 -32.64001      44.74278 
1 1 1 10  5  11 o 558.284 17.379 839.105   52.017  834.466   90.518  841.393   63.559  553.435 30.626 558.456 21.229 -5.020630      37.26403 
1 1 1 10  5  13 o 761.259 22.617 1567.06   92.308  0.0000    0.0000  1567.06   92.308  ?       ?      761.259 22.617 0.000000       22.61691 
1 1 1 10  5  15 o 347.777 20.221 328.271   37.541  0.0000    0.0000  328.271   37.541  ?       ?      347.777 20.221 0.000000       20.22122 
1 1 1 10  5  17 o 448.258 15.361 542.804   36.915  518.547   44.902  593.394   64.845  437.196 19.156 464.628 26.138 -27.43210      32.40605 
1 1 1 10  5  19 o 291.283 15.670 230.742   24.381  230.605   29.578  231.032   43.063  290.190 19.118 286.891 28.369 3.298676       34.20990 
1 1 1 10  5  21 o 464.443 14.654 586.271   36.488  599.822   51.638  572.760   51.565  466.643 20.640 455.716 21.105 10.92673       29.52039 
1 1 1 10  5  23 o 353.560 15.862 342.269   30.067  375.070   37.140  279.888   51.218  368.072 18.884 309.291 31.319 58.78094       36.57209 
1 1 1 10  5  25 o 190.301 18.210 101.399   18.352  155.326   34.819  80.654    21.595  229.126 28.993 166.428 24.973 62.69827       38.26570 
1 1 1 10  5  27 o 251.661 17.654 178.282   23.669  195.545   29.299  145.852   40.157  260.987 21.120 211.837 36.687 49.15025       42.33211 
1 1 1 10  5  29 o 148.035 33.641 74.044    26.093  74.044    26.093  0.0000    0.0000  148.035 33.641 ?       ?      0.000000       33.64051 
1 1 1 10  5  31 o 106.862 26.559 37.113    15.150  38.598    22.526  35.886    20.472  103.446 34.573 100.953 32.925 2.493645       47.74299 
1 1 1 10  5  33 o 199.438 23.087 124.203   24.229  210.737   48.212  94.963    28.026  230.635 40.467 162.459 33.295 68.17552       52.40365 
1 1 1 10  5  35 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 10  5  37 o 198.431 23.974 138.149   24.987  142.399   33.206  132.602   37.940  177.503 36.122 149.803 44.205 27.69960       57.08681 
1 1 1 10  6  0  o 1035.69 29.225 2897.13   162.277 2897.13   162.277 0.0000    0.0000  1035.69 29.225 ?       ?      0.000000       29.22505 
1 1 1 10  6  2  o 1047.87 20.624 2955.17   115.866 2958.52   163.903 2951.81   163.816 1046.38 29.217 1045.18 29.234 1.192627       41.33099 
1 1 1 10  6  4  o 812.669 25.241 1781.86   109.976 0.0000    0.0000  1781.86   109.976 ?       ?      812.669 25.241 0.000000       25.24137 
1 1 1 10  6  6  o 447.490 19.615 539.107   47.058  0.0000    0.0000  539.107   47.058  ?       ?      447.490 19.615 0.000000       19.61460 
1 1 1 10  6  8  o 637.782 21.029 1096.40   71.906  0.0000    0.0000  1096.40   71.906  ?       ?      637.782 21.029 0.000000       21.02909 
1 1 1 10  6  10 o 595.069 31.570 965.125   100.358 0.0000    0.0000  965.125   100.358 ?       ?      595.069 31.570 0.000000       31.56965 
1 1 1 10  6  12 o 746.961 24.237 1510.47   97.063  1434.81   137.029 1586.65   137.507 724.048 35.300 762.110 33.654 -38.06226      48.77163 
1 1 1 10  6  14 o 291.035 19.894 230.079   30.855  234.498   43.594  225.643   43.676  291.927 28.205 286.136 28.865 5.790833       40.35743 
1 1 1 10  6  16 o 413.852 20.348 465.146   45.149  482.155   64.170  448.472   63.534  417.727 28.830 402.456 29.654 15.27066       41.35849 
1 1 1 10  6  18 o 122.449 19.211 41.793    12.197  54.039    23.584  37.322    14.250  136.156 32.715 114.494 23.983 21.66219       40.56472 
1 1 1 10  6  20 o 319.784 15.437 278.091   26.466  296.379   32.632  242.934   45.245  328.587 18.600 292.316 29.263 36.27097       34.67379 
1 1 1 10  6  22 o 268.700 13.540 196.822   19.442  194.833   27.493  198.812   27.499  264.992 19.488 267.792 19.283 -2.799591      27.41543 
1 1 1 10  6  24 o 71.361  21.240 14.517    8.7291  9.6059    12.208  19.655    12.486  66.098  25.053 82.619  25.571 -16.52041      35.79879 
1 1 1 10  6  26 o 181.353 17.375 92.442    16.687  98.163    27.627  89.155    20.938  179.478 29.753 175.221 22.831 4.256821       37.50331 
1 1 1 10  6  28 o 158.103 16.846 71.182    14.060  49.661    20.400  90.654    19.404  123.469 30.894 175.930 20.986 -52.46122      37.34758 
1 1 1 10  6  30 o 360.325 16.960 370.938   32.764  369.346   40.294  374.044   56.288  352.711 21.410 336.641 31.555 16.07019       38.13280 
1 1 1 10  6  32 o 177.598 24.365 98.910    22.588  30.028    45.790  121.062   25.968  95.662  42.943 195.503 25.373 -99.84128      49.87881 
1 1 1 10  6  34 o 105.964 28.482 39.894    16.529  84.107    23.595  -2.7108   23.162  154.597 29.545 62.791  29.068 91.80631       41.44701 
1 1 1 10  6  36 o 161.019 28.207 95.627    23.463  90.063    28.605  107.067   41.017  139.899 37.412 125.969 46.281 13.92976       59.51106 
1 1 1 10  7  1  o 578.757 15.411 900.027   47.817  918.958   67.673  881.150   67.575  584.149 21.608 571.954 22.037 12.19556       30.86336 
1 1 1 10  7  3  o 652.107 18.599 1144.10   65.026  1168.76   113.170 1131.94   79.452  656.731 32.142 648.031 22.868 8.699890       39.44702 
1 1 1 10  7  5  o 337.237 19.826 307.279   35.689  0.0000    0.0000  307.279   35.689  ?       ?      337.237 19.826 0.000000       19.82648 
1 1 1 10  7  7  o 669.564 18.916 1207.15   67.905  1203.50   118.210 1208.95   82.958  665.499 33.131 669.329 23.118 -3.829834      40.39918 
1 1 1 10  7  9  o 615.380 22.259 1022.27   73.437  1054.64   104.105 990.215   103.609 622.174 31.310 602.547 32.189 19.62708       44.90481 
1 1 1 10  7  11 o 213.744 21.474 124.647   24.276  131.812   33.745  116.963   34.948  218.214 29.609 204.544 32.992 13.66927       44.32970 
1 1 1 10  7  13 o 537.423 21.472 782.223   61.868  777.388   87.636  787.028   87.353  532.040 30.856 535.462 30.555 -3.421692      43.42456 
1 1 1 10  7  15 o 311.393 28.776 268.824   47.497  268.824   47.497  0.0000    0.0000  311.393 28.776 ?       ?      0.000000       28.77556 
1 1 1 10  7  17 o 297.723 20.351 242.982   32.289  231.906   45.952  253.785   45.381  287.004 30.323 301.205 28.439 -14.20111      41.57221 
1 1 1 10  7  19 o 247.056 20.440 168.626   26.830  164.363   38.380  172.700   37.521  239.613 30.573 246.482 28.944 -6.868759      42.10085 
1 1 1 10  7  21 o 116.559 26.259 39.661    16.016  47.944    23.006  31.873    22.309  126.273 33.450 105.164 34.374 21.10902       47.96359 
1 1 1 10  7  23 o 168.480 21.040 80.312    18.590  81.328    24.510  78.935    28.526  166.092 28.554 160.602 34.179 5.489700       44.53720 
1 1 1 10  7  25 o 169.783 15.607 80.199    14.047  96.702    20.037  64.246    19.699  184.186 20.646 147.165 25.914 37.02017       33.13305 
1 1 1 10  7  27 o 166.993 15.838 78.537    14.010  85.398    20.084  72.033    19.554  170.191 22.568 155.014 24.329 15.17616       33.18439 
1 1 1 10  7  29 o 132.451 24.358 54.012    16.660  129.368   40.636  38.788    18.265  186.268 41.727 108.117 30.297 78.15052       51.56596 
1 1 1 10  7  31 o 190.433 29.294 118.693   28.950  131.261   49.030  111.966   35.870  167.918 50.419 171.977 39.707 -4.059036      64.17725 
1 1 1 10  7  33 o 111.643 31.317 45.338    19.505  41.712    23.096  54.353    36.424  103.136 35.006 107.231 42.530 -4.094742      55.08390 
1 1 1 10  7  35 o 172.935 26.790 104.561   24.035  120.776   34.908  89.944    33.143  162.209 40.315 133.412 41.723 28.79716       58.01834 
1 1 1 10  8  0  o 778.468 17.255 1629.59   72.017  1599.45   101.825 1659.75   101.869 769.988 24.666 784.455 24.222 -14.46735      34.57019 
1 1 1 10  8  2  o 793.438 17.463 1693.24   74.284  1640.46   105.040 1746.05   105.066 779.581 25.132 804.445 24.361 -24.86407      35.00091 
1 1 1 10  8  4  o 1239.53 26.814 4153.34   178.190 4013.92   218.354 4431.27   308.304 1215.71 33.501 1270.56 45.260 -54.85754      56.30965 
1 1 1 10  8  6  o 355.197 12.856 338.925   24.482  346.795   34.721  331.142   34.525  358.469 18.125 350.221 18.453 8.248108       25.86535 
1 1 1 10  8  8  o 480.581 20.679 623.034   53.281  667.960   75.643  578.795   75.063  495.394 28.602 460.523 30.576 34.87045       41.86841 
1 1 1 10  8  10 o 513.720 30.431 721.664   83.440  721.664   83.440  0.0000    0.0000  513.720 30.431 ?       ?      0.000000       30.43105 
1 1 1 10  8  12 o 580.435 31.659 927.274   98.148  927.274   98.148  0.0000    0.0000  580.435 31.659 ?       ?      0.000000       31.65939 
1 1 1 10  8  14 o 310.085 20.147 262.200   33.312  254.557   47.022  269.901   47.199  302.658 29.347 312.016 28.531 -9.358337      40.93039 
1 1 1 10  8  16 o 272.012 20.241 202.941   29.307  191.425   41.617  214.271   41.279  260.487 30.370 276.666 28.225 -16.17877      41.46015 
1 1 1 10  8  18 o 358.856 20.320 354.274   38.933  341.699   55.271  366.658   54.851  347.254 29.982 360.649 28.603 -13.39545      41.43716 
1 1 1 10  8  20 o 447.999 30.382 575.545   72.541  0.0000    0.0000  575.545   72.541  ?       ?      447.999 30.382 0.000000       30.38176 
1 1 1 10  8  22 o 230.651 21.467 149.570   26.241  164.071   36.921  134.768   37.303  236.843 29.732 211.723 34.015 25.12027       45.17709 
1 1 1 10  8  24 o 175.439 17.378 86.131    16.131  154.562   33.219  65.018    18.452  229.012 27.613 149.410 23.837 79.60127       36.47818 
1 1 1 10  8  26 o 144.441 16.852 59.105    12.805  58.952    18.314  59.251    17.910  139.780 25.373 140.559 24.666 -0.7792358     35.38634 
1 1 1 10  8  28 f 88.326  23.451 23.986    11.291  22.527    13.759  26.994    19.757  85.094  26.921 92.008  32.327 -6.914352      42.06893 
1 1 1 10  8  30 o 139.256 26.214 61.208    18.853  68.448    45.833  59.733    20.684  123.121 48.050 134.901 29.427 -11.78008      56.34481 
1 1 1 10  8  32 o 79.917  27.118 20.838    13.860  23.459    19.378  18.092    19.833  83.887  31.619 78.130  31.255 5.757622       44.45940 
1 1 1 10  8  34 o 63.534  30.211 -8.4894   28.080  1.4512    48.391  -13.5357  34.478  77.886  37.706 66.490  32.101 11.39600       49.51976 
1 1 1 10  9  1  o 663.013 18.704 1183.18   66.486  1212.76   81.498  1124.33   114.964 670.611 22.667 642.608 33.485 28.00281       40.43580 
1 1 1 10  9  3  o 727.657 19.272 1425.94   75.185  1453.80   92.276  1370.93   129.684 733.916 23.451 710.011 34.068 23.90472       41.35966 
1 1 1 10  9  5  o 280.452 26.664 214.783   39.609  0.0000    0.0000  214.783   39.609  ?       ?      280.452 26.664 0.000000       26.66389 
1 1 1 10  9  7  o 264.520 13.112 188.090   18.595  182.862   26.490  193.168   26.108  259.715 19.160 267.093 18.343 -7.378265      26.52520 
1 1 1 10  9  9  o 115.339 33.831 37.159    22.281  0.0000    0.0000  37.159    22.281  ?       ?      115.339 33.831 0.000000       33.83066 
1 1 1 10  9  11 o 572.784 21.857 890.574   67.121  969.992   95.281  812.336   94.571  593.802 30.027 541.982 32.699 51.82013       44.39417 
1 1 1 10  9  13 o 278.025 20.381 211.242   30.167  175.139   42.685  247.271   42.641  249.162 32.747 298.901 26.897 -49.73907      42.37724 
1 1 1 10  9  15 o 127.720 35.533 47.615    25.220  0.0000    0.0000  47.615    25.220  ?       ?      127.720 35.533 0.000000       35.53328 
1 1 1 10  9  17 o 277.207 29.310 217.857   42.900  0.0000    0.0000  217.857   42.900  ?       ?      277.207 29.310 0.000000       29.30990 
1 1 1 10  9  19 o 278.195 20.510 214.553   30.375  224.401   43.354  205.059   42.569  279.859 29.330 266.851 30.291 13.00864       42.16450 
1 1 1 10  9  21 o 322.962 20.901 291.120   35.996  351.700   52.743  238.300   49.249  349.436 28.399 283.872 32.974 65.56433       43.51752 
1 1 1 10  9  23 o 291.839 21.603 241.202   33.561  233.810   49.077  247.696   45.998  277.127 33.727 288.680 30.166 -11.55301      45.24903 
1 1 1 10  9  25 o 254.613 37.305 211.417   49.413  211.417   49.413  0.0000    0.0000  254.613 37.305 ?       ?      0.000000       37.30465 
1 1 1 10  9  27 o 160.446 27.985 80.178    23.198  89.919    35.725  73.078    30.503  156.799 41.753 143.746 38.715 13.05255       56.94003 
1 1 1 10  9  29 o 82.644  28.718 21.042    15.572  11.728    35.301  23.292    17.351  86.601  38.361 86.202  30.294 0.3987885      48.88075 
1 1 1 10  9  31 o 208.745 24.595 136.084   26.998  0.0000    0.0000  136.084   26.998  ?       ?      208.745 24.595 0.000000       24.59545 
1 1 1 10  9  33 o 79.301  30.964 21.532    19.041  58.583    51.922  15.775    20.467  100.961 45.489 73.982  30.907 26.97825       54.99501 
1 1 1 10  10 0  o 319.955 13.702 275.103   23.504  287.316   33.396  263.116   33.085  326.035 19.190 311.856 19.892 14.17908       27.63967 
1 1 1 10  10 2  o 486.251 14.386 635.687   37.503  621.164   53.143  650.096   52.932  479.914 20.654 491.041 20.106 -11.12717      28.82468 
1 1 1 10  10 4  o 775.135 19.200 1620.19   79.791  1642.62   138.867 1609.13   97.492  775.867 33.384 771.331 23.575 4.535583       40.86932 
1 1 1 10  10 6  o 678.922 18.905 1244.05   68.812  1227.20   84.161  1278.03   119.516 673.118 23.321 683.561 32.612 -10.44330      40.09262 
1 1 1 10  10 8  o 410.318 13.837 453.354   30.439  506.156   43.252  401.541   42.845  432.763 18.642 384.514 20.862 48.24939       27.97720 
1 1 1 10  10 10 o 453.944 29.685 568.982   71.847  0.0000    0.0000  568.982   71.847  ?       ?      453.944 29.685 0.000000       29.68473 
1 1 1 10  10 12 o 301.112 28.995 252.665   46.230  0.0000    0.0000  252.665   46.230  ?       ?      301.112 28.995 0.000000       28.99497 
1 1 1 10  10 14 o 187.130 21.907 97.129    21.563  104.671   31.050  90.104    29.967  191.204 31.378 176.582 32.864 14.62262       45.43784 
1 1 1 10  10 16 o 460.327 21.115 582.164   52.110  624.159   74.320  541.553   73.085  470.359 29.623 436.651 31.429 33.70758       43.18956 
1 1 1 10  10 18 o 206.055 23.181 119.266   25.164  133.880   39.137  108.966   32.857  212.353 35.639 192.481 33.029 19.87234       48.59055 
1 1 1 10  10 20 o 143.479 39.100 64.385    30.898  64.385    30.898  0.0000    0.0000  143.479 39.100 ?       ?      0.000000       39.10008 
1 1 1 10  10 22 o 204.269 37.739 131.401   39.807  131.401   39.807  0.0000    0.0000  204.269 37.739 ?       ?      0.000000       37.73883 
1 1 1 10  10 24 o 166.764 28.451 84.617    24.524  105.598   38.519  70.314    31.803  175.533 41.571 143.637 39.882 31.89618       57.60829 
1 1 1 10  10 26 o 277.056 23.735 226.538   34.915  232.737   50.072  220.671   48.711  265.989 36.040 258.922 36.070 7.066467       50.98969 
1 1 1 10  10 28 o 183.070 41.809 122.634   40.135  0.0000    0.0000  122.634   40.135  ?       ?      183.070 41.809 0.000000       41.80938 
1 1 1 10  10 30 o 136.478 24.111 57.906    16.997  57.379    19.524  59.558    34.544  132.427 28.354 119.841 42.680 12.58578       51.23996 
1 1 1 10  10 32 o 133.760 29.490 62.311    20.579  206.167   55.703  39.573    22.146  203.105 51.177 100.951 34.278 102.1548       61.59560 
1 1 1 10  11 1  o 530.878 17.087 759.478   48.632  816.570   85.049  731.743   59.279  547.009 29.105 520.348 21.249 26.66077       36.03657 
1 1 1 10  11 3  o 895.674 26.829 2181.92   128.832 0.0000    0.0000  2181.92   128.832 ?       ?      895.674 26.829 0.000000       26.82880 
1 1 1 10  11 5  o 332.191 19.980 299.622   35.418  345.799   49.689  251.926   50.499  355.382 26.265 301.489 31.718 53.89270       41.18116 
1 1 1 10  11 7  o 477.641 16.536 616.207   42.346  748.539   73.144  549.494   51.934  523.520 26.060 449.868 21.533 73.65179       33.80483 
1 1 1 10  11 9  o 310.905 15.412 261.159   25.690  291.887   31.993  205.380   43.105  327.674 18.284 271.221 30.154 56.45340       35.26471 
1 1 1 10  11 11 o 358.336 14.731 347.156   28.301  355.562   50.245  343.251   34.251  358.442 26.330 355.121 18.049 3.320709       31.92243 
1 1 1 10  11 13 o 363.135 30.445 371.159   58.726  371.159   58.726  0.0000    0.0000  363.135 30.445 ?       ?      0.000000       30.44538 
1 1 1 10  11 15 o 284.623 20.771 223.530   31.477  283.708   45.554  168.548   43.543  317.861 26.987 240.739 34.742 77.12231       43.99205 
1 1 1 10  11 17 o 201.961 35.044 120.884   36.569  120.884   36.569  0.0000    0.0000  201.961 35.044 ?       ?      0.000000       35.04418 
1 1 1 10  11 19 o 289.649 21.927 235.025   33.798  255.055   50.273  218.504   45.656  294.625 32.360 272.915 31.799 21.70972       45.36948 
1 1 1 10  11 21 o 344.359 21.201 334.310   38.952  368.841   56.683  303.414   53.618  353.059 30.238 318.452 31.831 34.60684       43.90357 
1 1 1 10  11 23 o 125.517 31.921 49.748    21.530  34.320    32.971  61.216    28.427  107.177 41.040 135.903 37.695 -28.72649      55.72472 
1 1 1 10  11 25 o 73.691  31.463 6.1659    21.981  0.0000    0.0000  6.1659    21.981  ?       ?      73.691  31.463 0.000000       31.46264 
1 1 1 10  11 27 o 192.919 29.358 116.690   29.407  138.489   44.254  99.453    39.353  194.401 43.542 162.642 44.045 31.75824       61.93429 
1 1 1 10  11 29 o 109.133 37.564 43.725    26.611  64.880    42.734  30.327    34.009  121.971 46.719 96.854  40.097 25.11748       61.56669 
1 1 1 10  11 31 o 89.682  39.924 25.337    38.706  25.337    38.706  0.0000    0.0000  89.682  39.924 ?       ?      0.000000       39.92426 
1 1 1 10  12 0  o 289.469 15.972 226.648   24.691  227.673   44.421  226.190   29.703  287.143 29.264 288.582 19.310 -1.438019      35.06032 
1 1 1 10  12 2  o 275.575 20.187 206.756   29.617  195.225   42.558  217.585   41.243  265.118 30.497 280.867 27.752 -15.74896      41.23438 
1 1 1 10  12 4  o 423.398 16.387 484.220   37.199  516.279   65.497  468.956   45.195  433.065 28.367 415.836 20.272 17.22849       34.86580 
1 1 1 10  12 6  o 698.573 23.514 1331.40   88.066  1425.74   125.356 1239.46   123.749 717.152 32.603 666.373 34.758 50.77917       47.65628 
1 1 1 10  12 8  o 309.027 13.390 257.675   22.185  290.408   31.835  226.773   30.932  326.667 18.250 288.047 20.157 38.61920       27.19150 
1 1 1 10  12 10 o 115.626 23.292 37.900    13.939  63.905    28.000  29.330    16.073  147.677 35.748 101.398 28.423 46.27807       45.67043 
1 1 1 10  12 12 o 197.260 21.956 107.988   22.826  107.988   22.826  0.0000    0.0000  197.260 21.956 ?       ?      0.000000       21.95570 
1 1 1 10  12 14 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 10  12 16 o 333.096 21.142 307.567   37.560  310.871   53.924  304.454   52.348  328.837 30.951 325.847 30.312 2.989990       43.32207 
1 1 1 10  12 18 o 331.444 22.408 308.127   39.584  273.556   56.982  340.369   55.030  302.083 35.886 342.328 30.297 -40.24512      46.96463 
1 1 1 10  12 20 o 367.129 21.666 380.675   42.456  419.688   62.918  348.060   57.528  375.139 31.577 341.216 31.814 33.92374       44.82411 
1 1 1 10  12 22 o 141.448 37.240 65.506    28.629  0.0000    0.0000  65.506    28.629  ?       ?      141.448 37.240 0.000000       37.24017 
1 1 1 10  12 24 o 212.297 24.947 133.048   27.853  164.117   42.605  109.857   36.808  225.156 36.548 181.182 39.044 43.97357       53.48088 
1 1 1 10  12 26 o 162.578 30.661 83.754    25.745  84.564    41.280  83.239    32.935  147.621 46.622 153.977 39.656 -6.356384      61.20636 
1 1 1 10  12 28 f 53.017  26.429 -61.1759  30.165  -61.1759  30.165  0.0000    0.0000  53.017  26.429 ?       ?      0.000000       26.42859 
1 1 1 10  12 30 o 55.266  26.617 -22.0956  23.366  -31.3564  37.316  -16.1227  29.969  66.848  32.535 65.353  31.115 1.495468       45.01853 
1 1 1 10  13 1  o 678.851 18.850 1248.84   68.604  1336.43   84.251  1076.48   118.185 700.682 22.428 620.775 35.660 79.90759       42.12669 
1 1 1 10  13 3  f 367.361 15.701 364.708   30.923  462.980   56.568  322.828   36.929  410.327 25.846 344.177 20.100 66.15085       32.74217 
1 1 1 10  13 5  o 317.754 15.156 272.902   25.819  319.393   32.794  197.097   41.876  342.748 17.909 265.378 29.957 77.36966       34.90149 
1 1 1 10  13 7  o 301.189 15.594 246.181   25.095  279.147   31.416  188.061   41.713  320.031 18.387 258.429 30.707 61.60196       35.79124 
1 1 1 10  13 9  o 263.412 14.143 188.198   19.901  231.660   28.567  147.221   27.739  291.211 18.392 230.648 22.727 60.56262       29.23688 
1 1 1 10  13 11 o 149.477 18.573 61.826    14.563  69.879    30.998  59.546    16.497  153.089 37.956 145.813 21.770 7.276443       43.75551 
1 1 1 10  13 13 o 212.471 14.314 123.007   16.210  143.235   23.484  104.600   22.403  227.873 19.407 193.672 21.964 34.20035       29.30970 
1 1 1 10  13 15 o 255.842 32.565 190.820   43.656  0.0000    0.0000  190.820   43.656  ?       ?      255.842 32.565 0.000000       32.56527 
1 1 1 10  13 17 o 129.261 40.545 52.222    31.272  0.0000    0.0000  52.222    31.272  ?       ?      129.261 40.545 0.000000       40.54463 
1 1 1 10  13 19 o 178.385 28.299 94.248    26.161  123.463   37.609  66.859    36.414  198.814 36.633 141.669 43.640 57.14555       56.97743 
1 1 1 10  13 21 o 106.470 32.932 35.125    20.712  42.306    36.649  31.755    25.106  116.494 43.567 102.976 36.416 13.51820       56.78215 
1 1 1 10  13 23 o 209.579 25.776 129.808   28.352  147.109   44.124  117.641   37.002  209.935 40.672 189.932 37.668 20.00301       55.43559 
1 1 1 10  13 25 o 187.217 45.181 128.198   44.830  128.198   44.830  0.0000    0.0000  187.217 45.181 ?       ?      0.000000       45.18068 
1 1 1 10  13 27 o 59.465  27.340 -7.8120   19.993  -13.8225  35.660  -5.0565   24.145  74.767  35.090 66.804  30.462 7.962898       46.46790 
1 1 1 10  13 29 f 87.416  35.435 24.478    25.861  22.333    39.559  26.078    34.174  90.620  40.350 91.112  39.074 -0.4920197     56.16864 
1 1 1 10  14 0  o 578.308 22.025 911.945   68.287  911.945   68.287  0.0000    0.0000  578.308 22.025 ?       ?      0.000000       22.02456 
1 1 1 10  14 2  o 435.697 16.538 514.066   38.630  580.529   69.287  484.087   46.534  457.739 28.373 421.634 20.586 36.10529       35.05424 
1 1 1 10  14 4  o 424.027 16.121 486.971   36.649  622.115   66.617  428.317   43.887  474.583 26.285 395.827 20.753 78.75647       33.48954 
1 1 1 10  14 6  o 516.436 14.557 721.487   40.305  852.203   57.697  596.902   56.327  559.383 19.239 466.803 22.507 92.57968       29.60874 
1 1 1 10  14 8  o 292.303 14.246 231.248   22.326  248.819   31.941  214.464   31.218  301.225 19.890 279.195 21.010 22.02942       28.93138 
1 1 1 10  14 10 o 412.869 17.111 464.140   37.876  511.336   46.515  371.263   65.252  432.092 20.079 359.662 34.254 72.42972       39.70485 
1 1 1 10  14 12 o 216.217 17.100 128.360   19.660  153.313   34.057  115.888   24.077  232.139 27.925 203.632 22.426 28.50732       35.81495 
1 1 1 10  14 14 o 258.120 18.723 184.210   25.734  222.995   37.692  150.345   35.220  280.729 25.316 227.930 29.514 52.79825       38.88419 
1 1 1 10  14 16 o 176.694 25.582 90.115    23.529  86.672    30.392  95.266    37.174  168.422 34.809 173.117 40.732 -4.694931      53.57908 
1 1 1 10  14 18 o 268.795 24.022 206.605   34.254  233.227   50.066  183.179   46.966  277.032 34.453 242.859 37.261 34.17346       50.74806 
1 1 1 10  14 20 o 123.264 35.445 48.098    24.676  60.641    38.151  39.077    32.354  134.204 44.994 113.306 41.183 20.89803       60.99556 
1 1 1 10  14 22 o 175.139 47.604 110.485   45.871  110.485   45.871  0.0000    0.0000  175.139 47.604 ?       ?      0.000000       47.60446 
1 1 1 10  14 24 o 86.629  33.097 20.276    21.413  -6.3011   34.595  36.782    27.263  79.588  36.358 106.503 37.917 -26.91428      52.53238 
1 1 1 10  14 26 o 78.728  32.211 14.039    21.613  16.662    38.977  12.875    25.971  92.498  40.670 81.330  34.443 11.16821       53.29467 
1 1 1 10  15 1  o 400.751 17.008 435.637   36.542  459.076   44.731  388.610   63.359  410.357 20.332 371.744 32.105 38.61285       38.00167 
1 1 1 10  15 3  o 246.986 14.844 165.669   19.565  220.442   29.680  123.579   26.018  283.753 19.630 211.016 23.391 72.73767       30.53676 
1 1 1 10  15 5  o 362.372 14.332 355.404   27.845  361.115   39.994  350.033   38.790  362.862 20.644 357.355 20.330 5.507019       28.97367 
1 1 1 10  15 7  o 348.467 20.355 333.570   37.863  0.0000    0.0000  333.570   37.863  ?       ?      348.467 20.355 0.000000       20.35502 
1 1 1 10  15 9  o 370.727 16.297 374.203   32.391  497.386   56.738  314.646   39.452  422.252 25.178 337.189 21.943 85.06351       33.39761 
1 1 1 10  15 11 o 114.205 20.840 37.036    12.290  69.478    19.295  14.889    15.942  156.415 23.755 78.854  28.871 77.56100       37.38755 
1 1 1 10  15 13 o 154.360 21.713 67.405    17.472  60.610    21.727  79.842    29.396  143.334 29.263 162.379 34.812 -19.04539      45.47762 
1 1 1 10  15 15 o 198.354 17.575 109.164   18.497  122.369   24.482  91.602    28.234  208.035 22.298 175.370 31.171 32.66519       38.32542 
1 1 1 10  15 17 o 235.674 36.328 170.379   44.427  170.379   44.427  0.0000    0.0000  235.674 36.328 ?       ?      0.000000       36.32834 
1 1 1 10  15 19 o 78.525  26.862 16.948    13.601  16.948    13.601  0.0000    0.0000  78.525  26.862 ?       ?      0.000000       26.86216 
1 1 1 10  15 21 o 130.414 37.916 55.766    28.097  60.203    42.736  52.388    37.289  131.662 47.409 125.037 44.363 6.624321       64.92855 
1 1 1 10  15 23 o 64.386  29.298 -7.1800   22.186  29.140    32.798  -37.8199  30.125  101.217 40.291 61.233  29.670 39.98425       50.03632 
1 1 1 10  15 25 o 163.183 41.081 97.370    35.917  0.0000    0.0000  97.370    35.917  ?       ?      163.183 41.081 0.000000       41.08143 
1 1 1 10  16 0  o 252.336 21.448 175.550   28.741  224.276   43.612  138.145   38.212  282.296 29.240 219.148 33.594 63.14839       44.53702 
1 1 1 10  16 2  o 337.003 16.997 309.568   30.611  308.787   53.826  309.942   37.214  330.502 30.729 335.846 20.770 -5.343689      37.09008 
1 1 1 10  16 4  o 537.749 21.819 795.052   62.904  674.526   88.666  917.189   89.257  485.509 34.284 571.285 29.240 -85.77600      45.05961 
1 1 1 10  16 6  o 411.583 14.705 459.947   32.449  479.237   46.221  441.199   45.567  417.557 20.647 399.790 21.336 17.76678       29.69050 
1 1 1 10  16 8  o 343.047 14.722 319.977   27.077  346.924   39.301  295.629   37.358  354.169 20.789 326.519 21.460 27.65021       29.87825 
1 1 1 10  16 10 o 428.184 14.592 499.111   33.498  594.140   48.123  409.786   46.657  464.500 19.324 383.170 22.815 81.33014       29.89886 
1 1 1 10  16 12 o 171.647 19.746 82.385    17.840  90.054    24.788  74.143    25.696  176.555 27.049 157.940 31.451 18.61485       41.48272 
1 1 1 10  16 14 f 259.737 16.869 185.937   23.364  214.489   30.689  146.574   36.033  277.118 20.808 223.350 30.921 53.76823       37.27043 
1 1 1 10  16 16 o 197.067 17.802 107.968   18.605  102.884   21.105  125.697   39.410  191.037 20.950 201.273 37.913 -10.23639      43.31604 
1 1 1 10  16 18 o 130.042 28.128 50.694    19.040  38.766    22.647  79.449    35.163  112.150 34.394 155.605 41.418 -43.45475      53.83673 
1 1 1 10  16 20 o 224.059 40.239 164.150   46.560  0.0000    0.0000  164.150   46.560  ?       ?      224.059 40.239 0.000000       40.23888 
1 1 1 10  16 22 o 288.473 36.418 269.984   55.069  0.0000    0.0000  269.984   55.069  ?       ?      288.473 36.418 0.000000       36.41786 
1 1 1 10  17 1  o 329.360 15.203 294.690   26.846  323.749   38.539  267.296   37.418  342.536 21.088 310.443 22.638 32.09326       30.93820 
1 1 1 10  17 3  o 150.754 18.430 63.040    14.586  90.514    22.138  41.966    19.389  179.367 23.594 119.595 30.225 59.77196       38.34348 
1 1 1 10  17 5  o 292.722 14.927 233.555   23.348  251.288   33.926  217.600   32.180  301.208 21.143 279.993 21.604 21.21475       30.22822 
1 1 1 10  17 7  o 315.803 21.158 276.565   35.617  328.789   51.171  227.488   49.605  340.115 28.320 279.136 33.838 60.97934       44.12497 
1 1 1 10  17 9  o 277.735 17.329 211.957   25.674  245.727   32.472  155.636   41.935  297.719 20.468 229.076 35.277 68.64273       40.78483 
1 1 1 10  17 11 o 146.738 23.208 61.335    17.651  56.781    35.136  62.872    20.414  135.385 43.041 147.235 26.850 -11.84991      50.72906 
1 1 1 10  17 13 o 256.244 15.573 180.146   21.293  197.262   30.935  164.736   29.352  265.261 21.950 241.786 22.917 23.47504       31.73287 
1 1 1 10  17 15 o 158.206 19.308 70.314    16.037  86.041    25.529  60.062    20.612  170.850 28.901 142.577 27.963 28.27251       40.21479 
1 1 1 10  17 17 o 79.078  28.817 16.017    15.856  0.0000    0.0000  16.017    15.856  ?       ?      79.078  28.817 0.000000       28.81722 
1 1 1 10  17 19 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 10  17 21 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 10  18 0  o 402.318 17.680 441.934   38.135  481.212   47.537  371.022   63.873  417.606 21.303 358.968 33.579 58.63766       39.76645 
1 1 1 10  18 2  o 479.605 21.748 634.259   55.921  657.003   79.409  611.885   78.762  480.468 30.993 462.790 31.939 17.67795       44.50476 
1 1 1 10  18 4  o 265.287 15.635 192.160   22.140  203.083   31.962  182.084   30.697  270.278 22.255 255.679 22.628 14.59966       31.73809 
1 1 1 10  18 6  o 253.432 15.431 175.459   20.867  208.025   29.887  144.483   29.148  274.147 20.482 226.665 24.369 47.48221       31.83313 
1 1 1 10  18 8  o 192.855 21.041 103.849   21.402  115.893   26.972  83.373    35.167  202.069 25.462 164.431 40.223 37.63754       47.60467 
1 1 1 10  18 10 o 171.818 19.944 82.484    18.030  139.974   33.547  59.134    21.380  220.052 29.153 141.850 29.089 78.20207       41.18375 
1 1 1 10  18 12 f 192.816 23.200 105.407   23.501  0.0000    0.0000  105.407   23.501  ?       ?      192.816 23.200 0.000000       23.19965 
1 1 1 10  18 14 o 182.415 25.397 96.103    24.164  0.0000    0.0000  96.103    24.164  ?       ?      182.415 25.397 0.000000       25.39722 
1 1 1 10  18 16 o 170.304 26.669 85.345    23.551  0.0000    0.0000  85.345    23.551  ?       ?      170.304 26.669 0.000000       26.66911 
1 1 1 10  18 18 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 10  19 1  o 199.641 18.056 109.785   19.117  110.879   28.361  108.875   25.879  197.248 27.573 196.388 25.157 0.8593597      37.32456 
1 1 1 10  19 3  f 147.687 21.101 61.208    16.232  61.296    24.204  61.137    21.883  144.063 32.153 144.901 29.178 -0.8380432     43.41848 
1 1 1 10  19 5  o 70.319  27.420 9.2830    14.916  17.768    26.308  5.2632    18.108  92.938  36.367 70.676  29.259 22.26182       46.67620 
1 1 1 10  19 7  o 199.353 25.785 113.170   26.913  139.043   39.726  91.221    36.589  216.081 35.527 171.722 40.415 44.35854       53.80996 
1 1 1 10  19 9  o 223.726 18.463 138.633   21.948  241.001   41.917  99.967    25.761  290.416 27.240 186.475 26.515 103.9416       38.01338 
1 1 1 10  19 11 o 266.191 23.318 200.305   32.942  252.177   47.238  151.195   45.962  293.796 30.431 219.995 40.460 73.80109       50.62631 
1 1 1 10  19 13 o 138.113 27.916 56.715    19.960  57.223    32.072  56.394    25.501  133.371 40.934 134.530 35.016 -1.159515      53.86776 
1 1 1 10  20 0  o 245.675 20.161 167.136   26.321  223.952   52.350  147.914   30.449  275.595 36.314 228.951 25.225 46.64345       44.21590 
1 1 1 10  20 2  o 270.617 23.975 205.422   34.424  274.946   51.205  148.087   46.500  308.767 31.368 220.293 40.877 88.47447       51.52503 
1 1 1 10  20 4  o 233.036 20.323 150.951   25.137  157.247   47.410  148.488   29.648  226.806 40.474 229.300 24.496 -2.494171      47.30899 
1 1 1 10  20 6  o 121.251 35.114 44.415    24.140  47.562    36.772  42.033    32.001  126.282 44.118 119.567 41.191 6.714478       60.35809 
1 1 1 10  20 8  o 265.956 31.446 207.651   43.971  0.0000    0.0000  207.651   43.971  ?       ?      265.956 31.446 0.000000       31.44648 
1 1 1 11  0  1  o 122.441 38.247 50.570    22.020  50.570    22.020  50.570    22.020  122.441 38.247 122.441 38.247 0.000000       0.000000 
1 1 1 11  0  3  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 11  0  5  o 108.072 35.467 40.125    18.226  40.125    18.226  40.125    18.226  108.072 35.467 108.072 35.467 0.000000       0.000000 
1 1 1 11  0  7  o 607.312 21.791 995.100   70.744  995.100   70.744  995.100   70.744  607.312 21.791 607.312 21.791 0.000000       0.000000 
1 1 1 11  0  9  o 756.064 24.188 1542.49   97.818  1542.49   97.818  1542.49   97.818  756.064 24.188 756.064 24.188 0.000000       0.000000 
1 1 1 11  0  11 o 362.336 27.935 359.959   53.525  359.959   53.525  359.959   53.525  362.336 27.935 362.336 27.935 0.000000       0.000000 
1 1 1 11  0  13 o 830.977 36.336 1880.19   161.179 1880.19   161.179 1880.19   161.179 830.977 36.336 830.977 36.336 0.000000       0.000000 
1 1 1 11  0  15 o 640.345 32.305 1118.46   110.263 1118.46   110.263 1118.46   110.263 640.345 32.305 640.345 32.305 0.000000       0.000000 
1 1 1 11  0  17 o 44.683  26.137 6.3940    10.459  6.3940    10.459  6.3940    10.459  44.683  26.137 44.683  26.137 0.000000       0.000000 
1 1 1 11  0  19 o 355.792 28.405 350.665   53.388  350.665   53.388  350.665   53.388  355.792 28.405 355.792 28.405 0.000000       0.000000 
1 1 1 11  0  21 o 57.634  32.283 12.414    14.992  12.414    14.992  12.414    14.992  57.634  32.283 57.634  32.283 0.000000       0.000000 
1 1 1 11  0  23 o 117.843 47.372 53.932    29.130  53.932    29.130  53.932    29.130  117.843 47.372 117.843 47.372 0.000000       0.000000 
1 1 1 11  0  25 o 310.264 20.085 264.808   33.089  264.808   33.089  264.808   33.089  310.264 20.085 310.264 20.085 0.000000       0.000000 
1 1 1 11  0  27 f 98.185  36.146 35.799    17.605  35.799    17.605  35.799    17.605  98.185  36.146 98.185  36.146 0.000000       0.000000 
1 1 1 11  0  29 o 43.372  29.171 -6.4423   19.333  -6.4423   19.333  -6.4423   19.333  43.372  29.171 43.372  29.171 0.000000       0.000000 
1 1 1 11  0  31 f 312.251 24.340 275.198   40.177  275.198   40.177  275.198   40.177  312.251 24.340 312.251 24.340 0.000000       0.000000 
1 1 1 11  0  33 o 59.250  37.749 6.3863    26.454  6.3863    26.454  6.3863    26.454  59.250  37.749 59.250  37.749 0.000000       0.000000 
1 1 1 11  0  35 o 107.984 60.734 62.320    53.354  62.320    53.354  62.320    53.354  107.984 60.734 107.984 60.734 0.000000       0.000000 
1 1 1 11  1  0  o 814.886 20.179 1786.02   88.161  1623.05   107.904 2113.24   152.900 775.975 25.937 884.107 32.258 -108.1312      41.39164 
1 1 1 11  1  2  o 273.674 13.407 201.089   19.672  209.982   39.364  198.130   22.711  277.749 26.766 271.123 15.691 6.625916       31.02661 
1 1 1 11  1  4  o 280.079 13.083 210.629   19.645  221.301   39.560  207.136   22.633  285.210 26.163 277.245 15.286 7.964783       30.30130 
1 1 1 11  1  6  o 705.005 16.434 1336.24   62.116  1295.31   87.903  1377.07   87.786  693.046 23.658 714.718 22.910 -21.67175      32.93237 
1 1 1 11  1  8  o 321.466 13.392 277.626   23.081  282.549   32.682  272.728   32.602  323.404 18.932 317.674 19.233 5.729767       26.98712 
1 1 1 11  1  10 o 392.242 13.813 413.521   29.047  415.464   41.085  411.579   41.073  392.646 19.517 390.299 19.692 2.346832       27.72492 
1 1 1 11  1  12 o 371.433 13.790 370.964   27.461  354.622   38.787  387.388   38.884  361.996 20.064 378.541 19.223 -16.54501      27.78609 
1 1 1 11  1  14 o 479.394 14.333 618.630   36.837  611.888   52.061  625.389   52.130  475.762 20.411 481.021 20.214 -5.258514      28.72633 
1 1 1 11  1  16 f 189.509 14.180 97.355    14.303  98.898    20.295  95.833    20.161  189.934 20.242 186.893 20.455 3.041611       28.77764 
1 1 1 11  1  18 o 144.790 17.447 57.704    13.271  52.950    16.173  67.504    23.219  137.351 22.760 153.628 29.258 -16.27762      37.06842 
1 1 1 11  1  20 o 379.357 20.040 396.015   40.613  396.015   40.613  0.0000    0.0000  379.357 20.040 ?       ?      0.000000       20.03982 
1 1 1 11  1  22 o 214.686 14.343 126.100   16.413  133.624   22.779  117.975   23.671  219.156 19.593 204.894 21.887 14.26186       29.37613 
1 1 1 11  1  24 o 196.304 14.321 105.999   14.968  110.476   21.154  101.511   21.182  197.996 20.212 189.238 21.245 8.757523       29.32387 
1 1 1 11  1  26 o 438.539 21.102 546.527   49.613  0.0000    0.0000  546.527   49.613  ?       ?      438.539 21.102 0.000000       21.10175 
1 1 1 11  1  28 o 219.608 16.146 136.270   18.877  119.133   25.657  156.494   27.872  198.755 24.603 229.648 22.945 -30.89204      33.64212 
1 1 1 11  1  30 o 131.687 25.465 54.914    17.329  33.077    23.685  80.068    25.420  96.802  35.228 153.293 31.965 -56.49125      47.56900 
1 1 1 11  1  32 o 227.538 22.893 160.385   27.548  162.958   34.683  155.987   45.342  218.931 30.367 190.561 45.085 28.37050       54.35818 
1 1 1 11  1  34 o 122.117 31.523 56.038    20.779  58.269    29.085  53.713    29.696  112.202 39.235 106.927 39.365 5.274529       55.57832 
1 1 1 11  1  36 o 97.734  33.603 43.937    21.291  46.611    29.098  40.855    31.237  91.735  37.436 86.139  37.154 5.596054       52.74308 
1 1 1 11  2  1  o 746.331 16.825 1496.80   67.324  1343.07   134.680 1548.01   77.733  703.058 35.850 758.723 19.109 -55.66467      40.62473 
1 1 1 11  2  3  o 932.292 18.943 2337.78   94.681  2420.52   189.735 2310.35   109.257 944.041 37.487 926.264 22.001 17.77673       43.46664 
1 1 1 11  2  5  o 561.020 17.256 846.324   51.904  882.292   90.348  828.606   63.412  570.356 29.648 554.666 21.324 15.68982       36.52044 
1 1 1 11  2  7  o 417.616 16.030 468.919   35.890  496.484   62.515  455.366   43.834  427.633 27.412 411.206 19.883 16.42676       33.86326 
1 1 1 11  2  9  o 403.939 16.058 438.884   34.775  475.251   60.836  421.234   42.382  418.142 27.287 394.853 20.087 23.28894       33.88300 
1 1 1 11  2  11 o 724.179 19.128 1413.59   74.267  1420.03   128.780 1410.38   90.906  721.825 33.277 722.354 23.473 -0.5295410     40.72294 
1 1 1 11  2  13 f 590.960 17.817 941.615   56.451  951.541   97.969  936.681   69.070  589.817 31.091 588.544 21.890 1.272705       38.02376 
1 1 1 11  2  15 o 464.618 20.491 584.639   51.042  516.276   72.229  652.832   72.139  432.610 31.355 488.181 27.676 -55.57111      41.82227 
1 1 1 11  2  17 o 519.837 17.101 732.067   47.660  752.083   82.433  722.016   58.412  520.688 29.652 514.824 21.163 5.863647       36.42941 
1 1 1 11  2  19 o 116.043 17.306 37.423    10.437  48.204    14.648  26.304    14.876  130.910 21.626 95.946  27.501 34.96453       34.98507 
1 1 1 11  2  21 o 178.598 16.712 87.896    15.816  93.740    19.266  75.818    27.698  183.477 19.905 159.512 33.456 23.96521       38.92923 
1 1 1 11  2  23 o 61.435  22.825 8.5410    10.027  20.150    20.129  4.7096    11.564  88.532  32.437 58.402  23.688 30.12993       40.16528 
1 1 1 11  2  25 o 292.423 16.311 237.111   25.470  239.157   44.283  236.099   31.135  283.293 29.593 289.257 20.204 -5.964172      35.83216 
1 1 1 11  2  27 o 154.273 18.142 67.949    14.719  72.292    20.786  63.582    20.845  154.531 26.014 143.372 28.124 11.15898       38.30995 
1 1 1 11  2  29 o 94.561  29.354 29.360    16.439  46.259    30.406  22.379    19.542  110.801 39.977 85.235  31.826 25.56611       51.09873 
1 1 1 11  2  31 o 120.316 31.040 50.198    20.155  42.319    23.846  69.901    37.710  106.358 35.572 124.644 44.571 -18.28566      57.02603 
1 1 1 11  2  33 o 164.208 28.470 91.730    24.156  63.139    30.361  141.050   39.876  119.518 40.137 183.373 41.525 -63.85463      57.75227 
1 1 1 11  2  35 o 104.993 37.144 52.410    26.123  55.002    29.686  43.513    54.995  103.345 39.092 87.437  41.772 15.90825       57.21083 
1 1 1 11  3  0  o 970.511 27.432 2541.43   142.733 2541.43   142.733 0.0000    0.0000  970.511 27.432 ?       ?      0.000000       27.43177 
1 1 1 11  3  2  o 575.759 30.739 898.960   94.544  898.960   94.544  0.0000    0.0000  575.759 30.739 ?       ?      0.000000       30.73928 
1 1 1 11  3  4  o 205.814 18.692 114.884   20.401  129.392   29.830  102.135   27.962  217.419 26.113 192.480 27.911 24.93864       38.22163 
1 1 1 11  3  6  f 898.043 21.334 2173.07   102.715 2319.58   178.466 2100.50   125.603 923.431 36.048 881.671 26.572 41.75946       44.78302 
1 1 1 11  3  8  o 471.498 16.404 597.976   41.466  640.296   72.421  577.334   50.578  485.546 27.938 462.859 20.382 22.68643       34.58256 
1 1 1 11  3  10 o 1068.66 29.183 3098.86   167.202 3253.47   236.979 2945.61   235.943 1088.85 40.595 1034.89 42.525 53.96118       58.79032 
1 1 1 11  3  12 o 304.186 13.276 248.786   21.652  254.720   30.538  242.787   30.703  306.789 18.655 299.398 19.229 7.390320       26.79150 
1 1 1 11  3  14 o 301.254 16.008 245.345   25.761  247.921   45.083  244.096   31.391  300.180 28.349 299.850 19.635 0.3298950      34.48480 
1 1 1 11  3  16 o 224.099 16.231 136.447   19.368  130.674   23.268  149.473   34.951  218.498 20.088 231.460 28.787 -12.96254      35.10300 
1 1 1 11  3  18 o 176.554 17.080 85.439    15.965  79.431    28.127  88.295    19.391  165.499 32.859 178.628 20.628 -13.12851      38.79684 
1 1 1 11  3  20 o 139.648 18.706 54.309    13.653  63.490    21.627  48.225    17.605  148.058 28.276 129.223 26.306 18.83455       38.62057 
1 1 1 11  3  22 o 234.572 16.290 151.419   20.359  147.321   24.922  159.641   35.300  229.663 20.455 234.809 28.634 -5.145203      35.18917 
1 1 1 11  3  24 o 438.887 17.137 532.449   40.324  491.796   49.227  615.363   70.302  417.162 22.089 458.780 28.727 -41.61829      36.23747 
1 1 1 11  3  26 o 145.538 20.997 61.285    15.909  68.153    25.441  56.874    20.388  146.254 33.204 135.905 28.872 10.34877       44.00115 
1 1 1 11  3  28 o 174.412 29.888 97.164    26.942  98.535    41.363  96.154    35.507  157.064 46.102 161.938 40.890 -4.874603      61.62263 
1 1 1 11  3  30 f 135.581 22.308 56.152    15.651  84.770    22.791  30.609    21.531  162.797 27.063 94.180  33.679 68.61689       43.20479 
1 1 1 11  3  32 o 122.813 33.555 55.526    22.721  93.137    37.383  33.493    28.613  144.246 44.181 94.225  37.593 50.02043       58.01033 
1 1 1 11  3  34 o 153.060 30.138 84.604    23.851  64.778    34.678  102.403   32.856  111.431 42.227 153.131 39.693 -41.70045      57.95356 
1 1 1 11  3  36 o 223.335 25.005 176.171   29.426  160.972   35.943  207.064   51.245  190.048 36.603 174.955 51.303 15.09390       63.02268 
1 1 1 11  4  1  o 558.528 17.140 838.568   51.324  806.454   62.842  902.898   88.942  547.302 21.417 578.109 28.696 -30.80731      35.80736 
1 1 1 11  4  3  o 416.839 13.801 466.682   30.843  488.886   62.405  459.505   35.479  424.536 27.567 413.483 16.005 11.05316       31.87643 
1 1 1 11  4  5  o 664.002 15.790 1185.20   56.211  1277.46   112.956 1154.84   64.805  686.708 30.681 655.107 18.451 31.60071       35.80174 
1 1 1 11  4  7  o 800.542 17.410 1724.42   74.725  1777.35   149.988 1706.94   86.182  808.269 34.612 795.959 20.196 12.31024       40.07326 
1 1 1 11  4  9  o 587.451 15.286 928.100   48.145  939.764   97.060  924.293   55.447  587.412 30.928 585.929 17.651 1.482605       35.61057 
1 1 1 11  4  11 o 318.850 13.587 273.352   23.226  246.448   46.823  282.133   26.749  299.695 29.525 323.791 15.409 -24.09647      33.30377 
1 1 1 11  4  13 o 854.372 26.036 1984.31   119.260 2054.05   168.762 1914.75   168.557 863.514 36.453 832.911 37.747 30.60315       52.47497 
1 1 1 11  4  15 o 172.556 20.435 81.875    18.538  80.857    23.839  83.433    29.485  169.898 27.081 170.956 33.368 -1.058456      42.97426 
1 1 1 11  4  17 o 129.608 17.455 46.395    11.820  41.766    18.565  49.551    15.329  120.379 29.090 132.878 22.308 -12.49957      36.65862 
1 1 1 11  4  19 o 240.054 13.677 156.629   17.529  143.558   24.442  170.472   25.153  227.917 20.212 248.925 18.991 -21.00781      27.73397 
1 1 1 11  4  21 o 244.397 13.700 162.875   17.879  141.547   24.906  185.551   25.681  225.244 20.861 259.105 18.611 -33.86035      27.95621 
1 1 1 11  4  23 o 134.969 20.004 51.675    14.037  63.642    24.655  45.936    17.074  144.432 32.612 124.748 26.354 19.68397       41.92933 
1 1 1 11  4  25 f 81.606  28.871 18.330    15.782  18.330    15.782  0.0000    0.0000  81.606  28.871 ?       ?      0.000000       28.87077 
1 1 1 11  4  27 f 42.931  19.768 -6.4866   10.505  2.3555    12.965  -23.3892  17.926  56.768  24.199 47.987  23.163 8.781055       33.49744 
1 1 1 11  4  29 o 152.331 20.011 68.623    15.947  62.442    22.728  74.617    22.383  136.000 31.748 152.152 28.486 -16.15189      42.65408 
1 1 1 11  4  31 o 120.065 27.063 47.243    17.004  39.897    26.265  52.542    22.309  102.511 37.130 120.943 33.335 -18.43176      49.89788 
1 1 1 11  4  33 o 83.975  36.636 22.753    31.086  68.765    41.789  -34.2588  46.516  112.812 45.284 70.507  34.726 42.30445       57.06578 
1 1 1 11  4  35 o 206.834 22.507 140.767   24.555  139.616   32.414  142.317   37.617  186.917 33.580 173.836 41.023 13.08075       53.01423 
1 1 1 11  5  0  o 459.676 13.714 567.471   33.798  535.009   47.694  600.217   47.903  445.876 19.952 472.360 18.915 -26.48398      27.49286 
1 1 1 11  5  2  o 865.538 17.752 2014.83   82.379  1988.50   116.521 2041.15   116.482 858.410 25.319 869.776 24.979 -11.36658      35.56671 
1 1 1 11  5  4  o 707.789 18.809 1348.26   71.372  1420.18   124.031 1312.66   87.269  723.717 31.966 697.636 23.332 26.08063       39.57574 
1 1 1 11  5  6  o 208.053 14.059 116.845   15.590  114.647   32.239  117.516   17.811  203.476 30.492 208.432 16.062 -4.956741      34.46385 
1 1 1 11  5  8  o 591.713 20.823 944.132   66.058  0.0000    0.0000  944.132   66.058  ?       ?      591.713 20.823 0.000000       20.82305 
1 1 1 11  5  10 o 334.704 19.181 303.044   34.276  0.0000    0.0000  303.044   34.276  ?       ?      334.704 19.181 0.000000       19.18114 
1 1 1 11  5  12 o 297.706 29.162 243.827   45.948  0.0000    0.0000  243.827   45.948  ?       ?      297.706 29.162 0.000000       29.16242 
1 1 1 11  5  14 f 147.222 18.487 59.546    14.270  43.945    25.512  66.649    17.215  124.390 36.119 155.329 21.228 -30.93886      41.89569 
1 1 1 11  5  16 o 217.346 20.520 129.815   23.629  143.822   33.912  116.600   32.941  226.402 28.575 202.581 31.341 23.82108       42.41254 
1 1 1 11  5  18 o 76.762  21.294 16.669    9.0711  14.276    10.516  23.629    17.933  72.811  23.589 93.136  30.837 -20.32500      38.82431 
1 1 1 11  5  20 o 168.447 14.848 77.803    13.272  79.830    18.575  75.689    18.971  168.819 20.975 163.917 22.154 4.901627       30.50831 
1 1 1 11  5  22 o 188.458 16.255 98.119    16.264  87.092    19.800  120.991   28.516  175.526 21.489 204.699 26.613 -29.17387      34.20552 
1 1 1 11  5  24 o 169.786 15.566 80.022    14.012  93.335    19.696  66.379    19.938  181.238 20.638 150.140 25.693 31.09801       32.95542 
1 1 1 11  5  26 o 110.288 30.144 38.535    18.333  76.004    29.398  14.691    23.451  150.797 36.708 82.669  33.657 68.12857       49.80198 
1 1 1 11  5  28 o 143.702 20.731 61.130    15.510  62.781    24.528  60.030    20.020  135.564 33.851 137.195 28.162 -1.631516      44.03382 
1 1 1 11  5  30 o 117.074 26.402 44.094    16.176  46.038    20.515  40.900    26.302  115.173 32.050 104.999 37.258 10.17365       49.14624 
1 1 1 11  5  32 o 140.536 23.435 62.335    17.036  51.434    23.901  73.592    24.288  115.499 35.319 143.505 32.343 -28.00611      47.89005 
1 1 1 11  5  34 f 38.787  19.087 -22.6830  13.959  -22.2562  14.827  -26.0104  41.400  40.558  19.901 66.837  32.887 -26.27885      38.44024 
1 1 1 11  6  1  o 526.954 19.440 747.387   54.922  568.630   77.134  931.208   78.219  457.052 31.674 587.447 24.836 -130.3948      40.24945 
1 1 1 11  6  3  o 545.978 14.418 800.981   42.205  841.125   59.749  761.002   59.625  558.889 19.940 531.482 20.925 27.40668       28.90466 
1 1 1 11  6  5  o 596.623 17.946 957.990   57.403  981.528   100.107 946.459   70.067  600.734 31.189 592.423 22.060 8.310913       38.20251 
1 1 1 11  6  7  o 196.131 15.478 104.095   16.143  124.605   28.975  94.862    19.440  213.098 25.893 186.593 19.732 26.50514       32.55478 
1 1 1 11  6  9  o 550.043 16.359 814.504   48.243  908.429   84.353  768.848   58.811  578.719 27.187 533.746 20.552 44.97290       34.08105 
1 1 1 11  6  11 o 292.982 20.263 233.079   31.632  231.469   44.176  234.772   45.315  290.092 28.784 292.034 29.340 -1.941681      41.10146 
1 1 1 11  6  13 o 268.346 20.837 196.467   29.743  201.463   41.758  191.323   42.375  269.486 29.378 262.126 30.736 7.359924       42.51811 
1 1 1 11  6  15 o 262.374 20.521 188.585   28.636  166.957   40.321  210.596   40.677  243.150 31.683 274.918 27.988 -31.76775      42.27484 
1 1 1 11  6  17 o 119.608 33.666 41.773    22.502  41.773    22.502  0.0000    0.0000  119.608 33.666 ?       ?      0.000000       33.66641 
1 1 1 11  6  19 o 125.919 23.240 45.263    15.111  41.608    24.938  47.383    18.996  118.570 36.038 127.295 28.539 -8.725044      45.97002 
1 1 1 11  6  21 o 85.380  22.747 21.097    10.600  19.600    20.269  21.661    12.436  88.383  32.524 86.594  25.240 1.789375       41.16882 
1 1 1 11  6  23 o 117.178 16.464 38.528    10.058  49.157    13.769  26.365    14.728  131.292 20.209 94.236  27.467 37.05576       34.10024 
1 1 1 11  6  25 o 62.370  24.048 8.3997    11.374  19.017    14.642  -7.7531   18.060  81.407  27.871 57.764  26.342 23.64274       38.34970 
1 1 1 11  6  27 o 126.220 23.333 48.164    15.208  62.788    18.443  17.088    26.884  143.471 24.878 85.736  35.586 57.73513       43.41955 
1 1 1 11  6  29 o 148.941 18.942 64.987    14.784  86.260    21.401  45.571    20.446  167.375 24.582 115.536 31.940 51.83956       40.30441 
1 1 1 11  6  31 o 182.581 18.712 98.419    18.058  78.526    25.671  117.907   25.408  149.307 32.952 193.284 25.112 -43.97710      41.42987 
1 1 1 11  6  33 o 108.270 27.501 40.910    15.995  32.315    22.288  50.036    22.967  90.698  33.964 111.439 34.712 -20.74061      48.56454 
1 1 1 11  6  35 o 115.893 42.727 82.027    35.003  0.0000    0.0000  82.027    35.003  ?       ?      115.893 42.727 0.000000       42.72715 
1 1 1 11  7  0  o 446.892 15.905 536.870   38.107  565.636   46.713  479.647   65.886  458.433 19.006 419.974 29.448 38.45868       35.04883 
1 1 1 11  7  2  o 166.694 20.576 75.975    17.998  71.291    24.762  81.220    26.206  159.703 30.023 170.794 29.697 -11.09117      42.22907 
1 1 1 11  7  4  o 181.673 13.945 89.212    13.479  96.151    19.052  82.258    19.072  187.990 19.172 173.458 20.932 14.53294       28.38474 
1 1 1 11  7  6  o 345.711 15.886 321.523   29.443  378.925   52.282  294.862   35.631  373.256 26.294 330.094 20.231 43.16165       33.17645 
1 1 1 11  7  8  o 377.414 15.211 383.308   30.778  453.877   55.017  351.161   37.133  408.561 25.241 360.315 19.292 48.24612       31.76935 
1 1 1 11  7  10 o 555.523 21.807 835.490   64.949  866.617   91.654  804.094   92.050  562.354 30.514 541.091 31.872 21.26270       44.12392 
1 1 1 11  7  12 o 282.826 29.026 221.645   43.389  221.645   43.389  0.0000    0.0000  282.826 29.026 ?       ?      0.000000       29.02604 
1 1 1 11  7  14 o 112.005 35.438 35.024    23.842  35.024    23.842  0.0000    0.0000  112.005 35.438 ?       ?      0.000000       35.43826 
1 1 1 11  7  16 o 234.419 20.527 151.448   25.538  143.701   36.156  159.161   36.078  224.519 30.852 237.263 28.964 -12.74437      42.31732 
1 1 1 11  7  18 o 98.201  27.295 27.898    14.888  18.641    20.977  37.296    21.135  88.854  33.014 112.756 32.914 -23.90246      46.61813 
1 1 1 11  7  20 o 145.141 25.471 60.819    19.097  37.899    27.661  81.696    26.399  113.782 38.310 166.372 30.728 -52.59005      49.11108 
1 1 1 11  7  22 o 82.485  32.018 14.999    20.267  0.0000    0.0000  14.999    20.267  ?       ?      82.485  32.018 0.000000       32.01843 
1 1 1 11  7  24 o 228.010 21.718 149.057   26.228  163.563   36.864  134.187   37.324  232.134 30.347 206.164 35.021 25.97002       46.33967 
1 1 1 11  7  26 o 185.218 15.039 96.150    14.805  86.657    21.076  105.398   20.803  170.471 23.701 190.399 20.713 -19.92819      31.47684 
1 1 1 11  7  28 o 57.565  21.812 7.8920    9.2517  11.523    12.609  3.6568    13.617  67.128  25.457 58.670  24.898 8.457756       35.60841 
1 1 1 11  7  30 o 47.526  22.857 -19.2505  17.085  55.719    39.004  -37.0504  19.005  114.045 44.376 43.572  21.595 70.47305       49.35143 
1 1 1 11  7  32 o 51.336  22.823 -0.3056   12.606  -8.8524   17.150  9.7394    18.593  52.342  24.492 68.170  29.017 -15.82768      37.97123 
1 1 1 11  7  34 f 139.470 41.239 95.590    32.990  96.860    55.388  94.892    41.070  106.752 47.624 122.050 46.025 -15.29771      66.22956 
1 1 1 11  8  1  o 375.973 19.675 381.772   39.521  381.772   39.521  0.0000    0.0000  375.973 19.675 ?       ?      0.000000       19.67485 
1 1 1 11  8  3  o 342.147 15.210 314.786   27.901  313.474   34.143  317.425   48.409  340.647 18.767 341.475 26.653 -0.8283386     32.59766 
1 1 1 11  8  5  o 426.588 20.023 490.792   45.795  511.549   65.743  471.227   63.828  433.280 28.460 415.694 28.817 17.58603       40.50164 
1 1 1 11  8  7  o 124.952 16.534 42.783    10.804  39.955    13.637  47.550    17.706  119.711 22.061 130.102 26.288 -10.39088      34.31890 
1 1 1 11  8  9  o 344.240 20.032 321.629   36.812  315.340   52.477  327.723   51.651  338.513 29.201 345.454 28.133 -6.941376      40.54788 
1 1 1 11  8  11 o 269.971 20.626 198.957   29.628  219.446   41.709  178.086   42.095  281.561 28.001 252.163 31.848 29.39806       42.40705 
1 1 1 11  8  13 o 345.017 20.541 325.395   37.823  322.400   52.830  328.544   54.174  340.078 29.261 343.106 29.745 -3.028107      41.72452 
1 1 1 11  8  15 o 366.153 20.308 367.692   39.710  380.067   56.213  355.364   56.104  368.212 28.702 355.422 29.715 12.79025       41.31350 
1 1 1 11  8  17 o 301.569 29.332 258.610   46.824  258.610   46.824  0.0000    0.0000  301.569 29.332 ?       ?      0.000000       29.33213 
1 1 1 11  8  19 o 157.036 34.543 74.341    28.292  0.0000    0.0000  74.341    28.292  ?       ?      157.036 34.543 0.000000       34.54294 
1 1 1 11  8  21 o 89.733  28.478 23.228    15.387  6.4919    21.632  40.370    21.893  75.928  31.751 115.093 33.471 -39.16458      46.13543 
1 1 1 11  8  23 o 186.550 24.500 101.504   23.911  99.734    35.863  102.920   32.082  174.484 39.283 181.293 34.263 -6.809036      52.12603 
1 1 1 11  8  25 o 154.904 27.541 73.656    22.035  131.859   33.811  30.688    29.051  204.181 31.933 100.372 38.502 103.8091       50.02136 
1 1 1 11  8  27 o 74.505  25.512 16.257    12.268  16.257    12.268  0.0000    0.0000  74.505  25.512 ?       ?      0.000000       25.51188 
1 1 1 11  8  29 o 108.847 21.023 35.779    11.824  33.132    16.399  38.645    17.065  100.237 28.917 108.298 28.866 -8.061691      40.85873 
1 1 1 11  8  31 o 66.863  24.920 12.800    11.970  18.852    16.144  5.4096    17.839  77.389  28.921 64.336  27.913 13.05257       40.19352 
1 1 1 11  8  33 o 113.393 35.722 54.773    24.245  0.0000    0.0000  54.773    24.245  ?       ?      113.393 35.722 0.000000       35.72186 
1 1 1 11  9  0  o 296.012 13.791 235.511   21.887  215.000   30.783  256.482   31.125  281.640 20.528 307.975 18.943 -26.33527      27.93237 
1 1 1 11  9  2  o 140.089 19.266 53.880    14.087  59.184    17.350  43.618    24.133  146.300 22.868 124.610 34.792 21.68940       41.63447 
1 1 1 11  9  4  o 219.052 14.224 129.618   16.615  118.489   23.658  140.448   23.339  208.329 21.490 227.355 19.330 -19.02557      28.90513 
1 1 1 11  9  6  o 303.919 28.398 253.827   45.736  0.0000    0.0000  253.827   45.736  ?       ?      303.919 28.398 0.000000       28.39797 
1 1 1 11  9  8  o 142.443 15.809 55.401    11.869  48.749    14.000  72.408    22.384  132.667 20.330 160.802 26.915 -28.13428      33.73056 
1 1 1 11  9  10 o 128.532 25.828 46.767    17.181  36.043    25.322  55.916    23.388  114.285 36.560 139.512 31.955 -25.22710      48.55715 
1 1 1 11  9  12 o 261.665 20.715 187.806   28.823  192.597   40.012  182.638   41.557  262.239 28.941 254.456 31.110 7.782242       42.49040 
1 1 1 11  9  14 o 223.956 32.088 143.639   37.427  0.0000    0.0000  143.639   37.427  ?       ?      223.956 32.088 0.000000       32.08761 
1 1 1 11  9  16 o 221.677 21.250 136.441   24.946  140.214   35.363  132.704   35.196  220.777 30.707 214.279 31.584 6.498047       44.05109 
1 1 1 11  9  18 o 145.041 26.063 60.719    19.522  92.611    28.873  33.859    26.497  177.435 31.505 109.278 37.491 68.15684       48.97095 
1 1 1 11  9  20 o 71.814  30.030 5.3074    19.350  0.0000    0.0000  5.3074    19.350  ?       ?      71.814  30.030 0.000000       30.03039 
1 1 1 11  9  22 o 44.209  21.835 -38.5411  18.840  -38.5411  18.840  0.0000    0.0000  44.209  21.835 ?       ?      0.000000       21.83516 
1 1 1 11  9  24 o 104.297 39.542 33.669    30.418  33.669    30.418  0.0000    0.0000  104.297 39.542 ?       ?      0.000000       39.54231 
1 1 1 11  9  26 o 128.967 32.129 54.535    22.133  70.998    34.443  42.954    28.887  138.267 42.418 111.253 39.090 27.01410       57.68240 
1 1 1 11  9  28 o 55.741  26.019 -11.6397  19.165  15.665    29.279  -32.1100  25.351  85.221  36.347 55.501  26.967 29.72032       45.25824 
1 1 1 11  9  30 o 79.536  30.226 19.484    17.800  0.0000    0.0000  19.484    17.800  ?       ?      79.536  30.226 0.000000       30.22615 
1 1 1 11  9  32 o 178.594 29.703 112.161   27.442  222.755   57.590  79.673    31.213  203.718 52.423 133.605 40.254 70.11279       66.09498 
1 1 1 11  10 1  o 399.068 16.327 429.045   34.932  434.187   61.302  426.572   42.508  398.347 28.900 396.923 20.040 1.424652       35.16883 
1 1 1 11  10 3  o 360.426 16.047 350.137   31.009  348.852   38.122  352.649   53.312  358.703 19.901 358.714 27.941 -0.1119995E-01 34.30384 
1 1 1 11  10 5  o 231.122 18.835 145.376   23.136  161.838   33.235  129.898   32.227  242.385 25.980 216.229 28.493 26.15527       38.55965 
1 1 1 11  10 7  o 251.284 18.758 171.930   25.089  0.0000    0.0000  171.930   25.089  ?       ?      251.284 18.758 0.000000       18.75822 
1 1 1 11  10 9  o 209.753 30.203 123.950   32.986  0.0000    0.0000  123.950   32.986  ?       ?      209.753 30.203 0.000000       30.20330 
1 1 1 11  10 11 o 170.348 23.241 80.906    20.672  54.758    30.199  103.960   28.357  136.674 39.186 191.848 28.430 -55.17310      48.41276 
1 1 1 11  10 13 o 69.948  27.334 8.7303    14.847  21.572    19.953  -7.1982   22.222  92.046  32.473 67.599  30.161 24.44711       44.31910 
1 1 1 11  10 15 o 112.609 29.078 37.023    17.677  67.285    26.641  13.217    23.628  150.706 33.805 86.134  34.226 64.57201       48.10573 
1 1 1 11  10 17 o 137.940 28.119 55.578    20.090  37.319    30.887  68.967    26.450  114.948 40.418 151.893 33.390 -36.94512      52.42604 
1 1 1 11  10 19 f 237.023 33.502 167.855   41.387  167.855   41.387  0.0000    0.0000  237.023 33.502 ?       ?      0.000000       33.50217 
1 1 1 11  10 21 o 338.071 21.162 323.407   38.163  362.492   55.589  288.564   52.486  348.993 30.001 308.939 32.160 40.05478       43.98101 
1 1 1 11  10 23 o 122.666 36.836 49.929    26.169  0.0000    0.0000  49.929    26.169  ?       ?      122.666 36.836 0.000000       36.83554 
1 1 1 11  10 25 o 91.083  32.996 24.867    20.744  32.407    34.971  20.773    25.767  103.630 41.486 89.468  35.681 14.16210       54.71984 
1 1 1 11  10 27 o 130.271 39.334 61.811    29.779  0.0000    0.0000  61.811    29.779  ?       ?      130.271 39.334 0.000000       39.33395 
1 1 1 11  10 29 o 162.234 34.714 92.757    29.281  112.306   46.058  79.497    37.934  155.953 49.246 135.669 44.847 20.28331       66.60607 
1 1 1 11  10 31 o 106.735 38.306 48.773    27.877  -6.0126   44.498  84.168    35.766  77.422  37.144 133.581 43.517 -56.15927      57.21366 
1 1 1 11  11 0  o 691.586 18.993 1293.17   70.424  1307.55   122.505 1286.06   86.066  689.436 33.143 688.195 23.327 1.241516       40.52871 
1 1 1 11  11 2  o 255.471 19.935 177.803   27.088  177.803   27.088  0.0000    0.0000  255.471 19.935 ?       ?      0.000000       19.93508 
1 1 1 11  11 4  o 454.040 16.692 557.118   40.632  566.916   49.817  537.648   70.227  457.125 20.327 441.206 29.865 15.91885       36.12590 
1 1 1 11  11 6  o 166.288 16.000 75.426    14.089  92.757    18.164  49.255    22.321  184.043 18.667 130.816 32.073 53.22615       37.10977 
1 1 1 11  11 8  o 319.258 16.085 276.596   27.443  280.917   49.166  274.640   33.075  317.392 29.221 317.209 19.544 0.1830444      35.15449 
1 1 1 11  11 10 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 11  11 12 o 407.038 20.818 455.145   45.278  475.688   65.308  436.131   62.830  410.994 29.842 393.341 30.020 17.65262       42.32954 
1 1 1 11  11 14 o 146.538 38.471 64.906    30.609  64.906    30.609  0.0000    0.0000  146.538 38.471 ?       ?      0.000000       38.47078 
1 1 1 11  11 16 o 173.181 37.399 91.140    33.708  91.140    33.708  0.0000    0.0000  173.181 37.399 ?       ?      0.000000       37.39862 
1 1 1 11  11 18 o 196.676 24.232 110.491   25.010  115.174   37.545  106.755   33.534  193.081 37.622 187.603 34.616 5.478226       51.12405 
1 1 1 11  11 20 o 53.943  24.096 -4.0956   14.229  6.6641    24.516  -9.5613   17.473  78.816  33.425 56.014  25.682 22.80138       42.15231 
1 1 1 11  11 22 o 57.675  25.388 -1.5466   15.228  -23.7211  26.546  9.3284    18.591  62.399  29.585 73.197  29.903 -10.79737      42.06476 
1 1 1 11  11 24 o 134.450 37.983 61.488    28.588  0.0000    0.0000  61.488    28.588  ?       ?      134.450 37.983 0.000000       37.98331 
1 1 1 11  11 26 o 97.467  33.363 30.689    20.981  20.057    35.808  36.247    25.890  93.898  40.125 104.062 36.961 -10.16425      54.55382 
1 1 1 11  11 28 o 89.228  33.978 25.452    22.522  -13.5923  40.216  43.293    27.185  77.362  36.602 108.161 37.925 -30.79948      52.70710 
1 1 1 11  11 30 o 111.338 45.214 62.294    42.187  62.294    42.187  0.0000    0.0000  111.338 45.214 ?       ?      0.000000       45.21398 
1 1 1 11  12 1  o 277.202 15.864 208.253   23.479  261.194   44.184  187.421   27.716  307.566 27.071 262.091 19.873 45.47440       33.58195 
1 1 1 11  12 3  o 302.566 14.122 247.039   22.908  248.874   33.120  245.356   31.718  301.896 20.585 299.940 19.836 1.955505       28.58739 
1 1 1 11  12 5  o 87.124  21.293 21.498    9.8618  23.749    17.454  20.442    11.953  93.699  30.394 85.420  24.700 8.278397       39.16431 
1 1 1 11  12 7  o 28.465  13.483 -6.5618   5.4873  -0.4597   11.660  -8.2977   6.2190  53.114  22.802 29.509  14.084 23.60558       26.80072 
1 1 1 11  12 9  o 203.487 20.476 114.229   22.035  126.490   33.568  104.945   29.209  210.789 30.597 192.146 29.279 18.64340       42.34907 
1 1 1 11  12 11 o 134.867 29.321 52.755    20.596  52.755    20.596  0.0000    0.0000  134.867 29.321 ?       ?      0.000000       29.32107 
1 1 1 11  12 13 o 112.846 28.630 37.179    17.348  25.631    25.673  46.883    23.535  100.624 36.669 125.665 34.074 -25.04128      50.05611 
1 1 1 11  12 15 o 61.433  26.420 0.1563    15.703  8.7015    23.449  -6.7921   21.145  81.092  33.408 65.368  29.274 15.72398       44.41908 
1 1 1 11  12 17 f 252.041 21.804 178.877   29.173  170.885   41.646  186.577   40.877  238.900 33.431 251.568 30.961 -12.66837      45.56597 
1 1 1 11  12 19 o 106.360 36.693 34.105    25.398  0.0000    0.0000  34.105    25.398  ?       ?      106.360 36.693 0.000000       36.69305 
1 1 1 11  12 21 o 54.521  24.615 -5.6307   15.294  -5.3195   26.954  -5.7785   18.574  72.862  32.807 60.316  27.189 12.54515       42.60865 
1 1 1 11  12 23 o 127.460 31.337 51.417    21.264  92.100    34.227  25.847    27.135  165.318 39.211 96.254  37.136 69.06396       54.00520 
1 1 1 11  12 25 o 178.102 38.189 108.468   35.371  0.0000    0.0000  108.468   35.371  ?       ?      178.102 38.189 0.000000       38.18903 
1 1 1 11  12 27 o 188.484 50.877 154.416   52.609  154.416   52.609  0.0000    0.0000  188.484 50.877 ?       ?      0.000000       50.87666 
1 1 1 11  12 29 o 121.468 41.548 63.951    32.538  0.0000    0.0000  63.951    32.538  ?       ?      121.468 41.548 0.000000       41.54804 
1 1 1 11  13 0  f 378.611 15.999 387.758   32.476  427.694   40.581  316.632   54.158  396.878 19.072 337.002 30.299 59.87549       35.80156 
1 1 1 11  13 2  o 354.745 20.162 343.545   38.188  379.701   56.019  312.156   52.196  369.771 28.476 334.699 29.385 35.07269       40.91940 
1 1 1 11  13 4  o 164.637 15.882 74.059    13.844  92.706    22.699  63.014    17.470  182.469 23.767 150.270 22.366 32.19841       32.63652 
1 1 1 11  13 6  o 299.495 13.941 242.508   22.385  287.035   32.894  204.100   30.550  324.121 19.013 272.509 21.074 51.61206       28.38315 
1 1 1 11  13 8  o 242.897 14.248 160.250   18.473  201.687   27.038  123.975   25.298  271.384 18.697 211.302 22.686 60.08241       29.39826 
1 1 1 11  13 10 o 173.946 17.447 83.249    16.052  97.144    21.007  63.753    24.883  186.914 21.346 147.446 32.365 39.46828       38.77051 
1 1 1 11  13 12 o 190.736 15.199 99.566    15.414  105.991   22.523  93.906    21.139  194.740 21.956 183.168 21.964 11.57179       31.05651 
1 1 1 11  13 14 o 190.497 35.275 109.125   34.700  0.0000    0.0000  109.125   34.700  ?       ?      190.497 35.275 0.000000       35.27453 
1 1 1 11  13 16 o 141.136 41.963 64.225    34.087  0.0000    0.0000  64.225    34.087  ?       ?      141.136 41.963 0.000000       41.96307 
1 1 1 11  13 18 o 211.841 24.274 129.355   27.072  143.617   39.822  117.101   36.913  215.163 35.778 192.969 37.027 22.19427       51.48796 
1 1 1 11  13 20 o 209.503 25.324 128.128   27.866  142.016   44.670  119.279   35.655  207.471 41.607 194.845 35.437 12.62553       54.65306 
1 1 1 11  13 22 o 177.928 26.888 94.706    24.849  139.797   38.632  62.882    32.454  209.217 35.723 135.461 41.099 73.75511       54.45426 
1 1 1 11  13 24 o 119.487 44.331 51.283    37.797  51.283    37.797  0.0000    0.0000  119.487 44.331 ?       ?      0.000000       44.33100 
1 1 1 11  13 26 o 60.513  27.665 -6.1767   20.076  -2.6975   38.929  -7.4373   23.432  82.014  37.868 64.342  29.589 17.67250       48.05669 
1 1 1 11  14 1  o 285.271 14.661 220.649   22.347  241.141   32.093  201.364   31.134  296.757 20.293 270.659 21.637 26.09833       29.66432 
1 1 1 11  14 3  o 381.734 14.343 394.137   29.354  451.541   42.083  339.741   40.965  407.129 19.280 351.726 21.832 55.40250       29.12621 
1 1 1 11  14 5  o 232.592 17.414 147.882   21.558  162.111   39.647  141.909   25.687  238.500 31.798 226.708 21.386 11.79227       38.32105 
1 1 1 11  14 7  o 211.862 17.448 123.020   19.643  122.532   35.254  123.240   23.655  205.863 33.061 210.968 21.201 -5.104492      39.27450 
1 1 1 11  14 9  o 114.620 36.448 37.976    25.195  0.0000    0.0000  37.976    25.195  ?       ?      114.620 36.448 0.000000       36.44763 
1 1 1 11  14 11 o 276.651 18.983 211.226   27.985  278.775   41.780  156.256   37.689  314.862 24.954 232.126 31.064 82.73662       39.84578 
1 1 1 11  14 13 o 128.423 30.860 49.366    20.984  67.424    31.296  34.617    28.283  146.956 39.054 110.178 38.681 36.77811       54.96729 
1 1 1 11  14 15 o 100.935 30.687 30.250    18.080  44.102    26.385  17.988    24.824  119.571 37.200 90.168  35.314 29.40267       51.29255 
1 1 1 11  14 17 o 156.019 43.620 80.926    37.908  0.0000    0.0000  80.926    37.908  ?       ?      156.019 43.620 0.000000       43.62036 
1 1 1 11  14 19 o 146.935 43.807 73.172    37.111  73.172    37.111  0.0000    0.0000  146.935 43.807 ?       ?      0.000000       43.80707 
1 1 1 11  14 21 o 123.387 44.133 51.357    36.975  51.357    36.975  0.0000    0.0000  123.387 44.133 ?       ?      0.000000       44.13288 
1 1 1 11  14 23 o 93.099  33.120 26.334    20.797  24.921    34.673  27.128    25.992  98.266  40.569 95.935  36.509 2.331169       54.57790 
1 1 1 11  14 25 o 59.061  27.658 -13.4896  21.946  -34.6128  41.118  -5.0754   25.951  72.415  34.984 68.982  31.504 3.432930       47.07882 
1 1 1 11  15 0  o 377.794 20.366 390.983   41.098  0.0000    0.0000  390.983   41.098  ?       ?      377.794 20.366 0.000000       20.36567 
1 1 1 11  15 2  f 460.284 16.883 575.816   41.661  670.925   72.516  528.958   50.900  490.509 27.688 439.239 21.615 51.26984       35.12593 
1 1 1 11  15 4  o 260.428 16.634 185.173   23.104  201.402   40.742  177.480   28.050  266.929 28.932 253.639 20.811 13.28998       35.63940 
1 1 1 11  15 6  o 298.888 16.737 244.124   26.712  254.755   47.364  239.166   32.348  299.275 29.920 294.382 20.626 4.893372       36.34081 
1 1 1 11  15 8  o 162.748 16.814 73.054    14.459  68.677    20.929  77.051    20.000  154.743 26.160 165.177 23.226 -10.43439      34.98235 
1 1 1 11  15 10 o 181.724 25.827 94.472    24.455  110.849   37.097  81.885    32.522  191.035 37.559 163.457 37.856 27.57761       53.32680 
1 1 1 11  15 12 o 195.521 15.746 105.216   16.366  120.620   24.642  93.058    21.892  206.718 22.603 181.105 23.070 25.61293       32.29734 
1 1 1 11  15 14 o 140.261 20.862 55.833    15.210  83.572    32.552  48.086    17.203  163.656 37.854 128.125 25.934 35.53102       45.88574 
1 1 1 11  15 16 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 11  15 18 o 326.480 23.331 304.181   40.569  254.518   56.687  356.326   58.085  284.822 38.075 344.846 31.775 -60.02386      49.59222 
1 1 1 11  15 20 o 165.213 35.571 87.390    30.576  102.078   44.903  74.692    41.749  167.990 47.654 144.141 47.019 23.84969       66.94591 
1 1 1 11  15 22 o 129.562 34.400 55.344    24.296  20.482    39.460  76.629    30.833  98.141  42.035 149.867 38.246 -51.72624      56.83053 
1 1 1 11  16 1  o 400.658 15.007 435.850   32.235  451.638   46.876  421.686   44.399  404.530 21.693 391.073 21.256 13.45651       30.37097 
1 1 1 11  16 3  f 224.779 19.835 139.665   23.658  143.571   29.365  132.441   39.937  226.121 24.621 211.551 36.533 14.56943       44.05479 
1 1 1 11  16 5  o 127.063 20.571 45.503    13.535  38.618    21.386  50.103    17.481  114.454 33.023 131.898 25.644 -17.44482      41.81081 
1 1 1 11  16 7  o 232.278 17.900 148.686   22.119  176.217   39.242  135.867   26.778  247.119 30.251 220.013 23.044 27.10542       38.02772 
1 1 1 11  16 9  f 77.273  27.461 15.110    14.294  0.7206    21.294  26.912    19.284  71.248  30.703 97.451  31.963 -26.20357      44.32115 
1 1 1 11  16 11 o 353.052 16.444 341.285   31.126  384.593   39.200  267.389   51.205  372.624 19.692 302.482 32.064 70.14203       37.62761 
1 1 1 11  16 13 o 51.634  23.481 -7.4198   14.225  -20.4166  17.852  15.185    23.543  50.669  24.092 86.660  34.249 -35.99061      41.87439 
1 1 1 11  16 15 o 171.614 19.200 82.621    17.363  96.693    24.252  67.823    24.870  182.958 25.410 149.618 31.974 33.34035       40.84131 
1 1 1 11  16 17 o 130.478 35.690 53.849    25.687  36.550    35.831  72.138    36.843  112.630 42.865 146.552 43.639 -33.92194      61.17032 
1 1 1 11  16 19 f 105.851 42.487 30.093    36.784  0.0000    0.0000  30.093    36.784  ?       ?      105.851 42.487 0.000000       42.48679 
1 1 1 11  16 21 o 110.583 42.617 40.055    35.705  0.0000    0.0000  40.055    35.705  ?       ?      110.583 42.617 0.000000       42.61683 
1 1 1 11  17 0  o 272.159 22.646 206.093   32.744  199.830   48.105  211.500   44.697  261.433 35.217 271.360 31.296 -9.926849      47.11353 
1 1 1 11  17 2  o 85.749  30.750 18.439    17.962  20.279    24.084  16.132    26.963  93.517  35.250 92.298  36.597 1.219070       50.81236 
1 1 1 11  17 4  o 296.826 17.682 241.816   28.012  250.694   35.668  227.528   45.248  300.203 22.321 281.569 30.460 18.63303       37.76267 
1 1 1 11  17 6  o 151.758 20.516 64.538    16.264  52.107    24.808  73.908    21.538  131.747 34.657 160.685 25.881 -28.93867      43.25381 
1 1 1 11  17 8  o 184.518 18.087 94.228    17.663  136.374   28.526  68.024    22.493  219.635 24.651 152.829 28.500 66.80621       37.68181 
1 1 1 11  17 10 o 387.226 17.193 411.106   35.694  461.458   65.043  389.408   42.698  399.827 30.575 374.058 21.380 25.76871       37.30840 
1 1 1 11  17 12 o 171.959 17.780 82.188    16.155  120.936   26.306  58.725    20.470  206.096 24.273 141.278 28.015 64.81834       37.06781 
1 1 1 11  17 14 o 130.076 23.635 49.042    15.876  78.289    32.920  40.179    18.122  156.837 39.246 115.609 29.223 41.22782       48.93105 
1 1 1 11  17 16 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 11  17 18 o 188.881 43.184 122.253   42.778  0.0000    0.0000  122.253   42.778  ?       ?      188.881 43.184 0.000000       43.18428 
1 1 1 11  18 1  o 144.820 26.751 60.325    20.005  69.157    36.886  56.645    23.811  149.799 43.412 138.340 32.632 11.45891       54.30889 
1 1 1 11  18 3  o 174.733 18.885 84.613    17.410  108.952   25.669  63.881    23.691  196.352 24.947 147.500 30.946 48.85197       39.74970 
1 1 1 11  18 5  o 303.372 17.907 252.860   28.997  292.022   54.661  237.523   34.207  317.602 32.562 292.195 21.997 25.40646       39.29548 
1 1 1 11  18 7  o 63.752  26.735 2.9922    15.403  10.592    22.009  -4.3027   21.563  81.105  32.755 67.880  30.029 13.22410       44.43694 
1 1 1 11  18 9  o 115.767 29.098 39.731    18.040  0.0000    0.0000  39.731    18.040  ?       ?      115.767 29.098 0.000000       29.09822 
1 1 1 11  18 11 o 85.274  30.082 19.327    17.122  0.0000    0.0000  19.327    17.122  ?       ?      85.274  30.082 0.000000       30.08197 
1 1 1 11  18 13 o 169.120 25.401 83.043    22.319  0.0000    0.0000  83.043    22.319  ?       ?      169.120 25.401 0.000000       25.40057 
1 1 1 11  18 15 o 124.486 32.793 48.398    22.191  0.0000    0.0000  48.398    22.191  ?       ?      124.486 32.793 0.000000       32.79319 
1 1 1 11  19 0  o 215.886 18.492 128.564   21.196  186.702   33.178  88.470    27.552  258.036 24.268 174.351 30.591 83.68483       39.04810 
1 1 1 11  19 2  o 140.128 27.975 57.101    20.281  61.680    42.197  55.725    23.128  141.666 47.320 137.022 32.053 4.644241       57.15380 
1 1 1 11  19 4  o 153.496 41.602 73.416    35.091  0.0000    0.0000  73.416    35.091  ?       ?      153.496 41.602 0.000000       41.60188 
1 1 1 11  19 6  o 199.147 21.787 111.334   22.882  132.806   46.850  104.607   26.223  205.086 43.932 191.044 26.299 14.04153       51.20259 
1 1 1 11  19 8  o 182.212 21.569 93.596    20.662  190.819   44.341  66.632    23.352  253.608 33.426 149.843 30.113 103.7652       44.98984 
1 1 1 11  19 10 o 105.026 43.368 21.492    39.635  21.492    39.635  0.0000    0.0000  105.026 43.368 ?       ?      0.000000       43.36820 
1 1 1 11  20 1  o 126.586 49.876 40.790    49.786  40.790    49.786  0.0000    0.0000  126.586 49.876 ?       ?      0.000000       49.87631 
1 1 1 11  20 3  o 84.756  35.171 9.2943    26.254  29.144    46.495  0.0032    31.810  116.457 47.400 84.646  36.990 31.81078       60.12505 
1 1 1 11  20 5  o 144.128 37.268 64.394    29.011  99.889    50.810  47.225    35.337  171.515 51.287 124.885 43.270 46.62990       67.10171 
1 1 1 12  0  0  o 352.708 19.541 337.211   36.692  337.211   36.692  337.211   36.692  352.708 19.541 352.708 19.541 0.000000       0.000000 
1 1 1 12  0  2  o 141.712 24.815 58.691    17.124  58.691    17.124  58.691    17.124  141.712 24.815 141.712 24.815 0.000000       0.000000 
1 1 1 12  0  4  o 183.786 32.487 99.061    29.026  99.061    29.026  99.061    29.026  183.786 32.487 183.786 32.487 0.000000       0.000000 
1 1 1 12  0  6  o 1018.22 28.349 2799.84   154.485 2799.84   154.485 2799.84   154.485 1018.22 28.349 1018.22 28.349 0.000000       0.000000 
1 1 1 12  0  8  o 605.673 22.174 990.620   71.785  990.620   71.785  990.620   71.785  605.673 22.174 605.673 22.174 0.000000       0.000000 
1 1 1 12  0  10 o 637.680 22.309 1098.23   76.060  1098.23   76.060  1098.23   76.060  637.680 22.309 637.680 22.309 0.000000       0.000000 
1 1 1 12  0  12 o 376.317 19.632 384.070   39.363  384.070   39.363  384.070   39.363  376.317 19.632 376.317 19.632 0.000000       0.000000 
1 1 1 12  0  14 o 723.354 23.836 1417.11   92.212  1417.11   92.212  1417.11   92.212  723.354 23.836 723.354 23.836 0.000000       0.000000 
1 1 1 12  0  16 o 257.607 28.509 186.632   38.142  186.632   38.142  186.632   38.142  257.607 28.509 257.607 28.509 0.000000       0.000000 
1 1 1 12  0  18 o 461.644 20.567 579.877   50.675  579.877   50.675  579.877   50.675  461.644 20.567 461.644 20.567 0.000000       0.000000 
1 1 1 12  0  20 o 191.786 21.339 103.327   21.246  103.327   21.246  103.327   21.246  191.786 21.339 191.786 21.339 0.000000       0.000000 
1 1 1 12  0  22 o 187.448 36.965 107.684   33.037  107.684   33.037  107.684   33.037  187.448 36.965 187.448 36.965 0.000000       0.000000 
1 1 1 12  0  24 o 365.638 21.087 367.892   41.022  367.892   41.022  367.892   41.022  365.638 21.087 365.638 21.087 0.000000       0.000000 
1 1 1 12  0  26 o 93.423  39.222 34.787    19.747  34.787    19.747  34.787    19.747  93.423  39.222 93.423  39.222 0.000000       0.000000 
1 1 1 12  0  28 f 302.277 31.936 266.756   50.433  266.756   50.433  266.756   50.433  302.277 31.936 302.277 31.936 0.000000       0.000000 
1 1 1 12  0  30 o 94.149  42.603 37.526    23.159  37.526    23.159  37.526    23.159  94.149  42.603 94.149  42.603 0.000000       0.000000 
1 1 1 12  0  32 o 190.750 31.415 110.730   29.507  110.730   29.507  110.730   29.507  190.750 31.415 190.750 31.415 0.000000       0.000000 
1 1 1 12  0  34 o 47.312  31.802 -5.6748   22.913  -5.6748   22.913  -5.6748   22.913  47.312  31.802 47.312  31.802 0.000000       0.000000 
1 1 1 12  1  1  o 208.519 16.249 117.580   18.022  82.028    31.115  135.530   22.109  170.788 35.153 223.684 18.604 -52.89606      39.77248 
1 1 1 12  1  3  o 368.763 19.677 367.147   38.762  329.883   54.860  404.296   54.775  347.848 29.702 385.922 26.637 -38.07343      39.89611 
1 1 1 12  1  5  o 634.116 18.295 1082.32   62.196  1039.24   107.872 1103.77   76.123  617.778 32.686 639.753 22.194 -21.97559      39.50835 
1 1 1 12  1  7  o 792.227 20.124 1691.66   85.475  1805.72   148.330 1634.95   104.585 814.408 33.972 777.664 25.085 36.74408       42.22929 
1 1 1 12  1  9  o 617.483 15.697 1025.99   51.965  1063.08   73.495  988.906   73.483  627.432 21.848 604.981 22.655 22.45166       31.47421 
1 1 1 12  1  11 o 515.804 14.700 716.106   40.652  706.980   57.469  725.246   57.513  511.435 20.959 518.051 20.707 -6.615753      29.46307 
1 1 1 12  1  13 o 748.246 17.066 1511.79   68.462  1506.34   96.797  1517.24   96.842  744.146 24.262 746.869 24.185 -2.723022      34.25761 
1 1 1 12  1  15 o 211.353 20.460 122.620   22.893  115.403   31.725  130.462   33.070  202.219 30.186 215.505 29.388 -13.28674      42.12943 
1 1 1 12  1  17 o 76.708  25.086 15.767    11.881  15.767    11.881  0.0000    0.0000  76.708  25.086 ?       ?      0.000000       25.08577 
1 1 1 12  1  19 o 138.764 18.058 53.551    13.116  50.511    16.142  59.458    22.503  133.101 23.479 142.256 30.426 -9.154709      38.43155 
1 1 1 12  1  21 o 193.378 16.541 103.275   16.984  101.624   28.601  104.175   21.109  186.052 29.670 192.629 20.768 -6.576492      36.21653 
1 1 1 12  1  23 o 141.221 20.635 56.915    15.162  37.530    27.137  65.714    18.282  110.939 37.943 150.719 23.382 -39.77914      44.56911 
1 1 1 12  1  25 o 169.126 26.071 85.510    22.880  0.0000    0.0000  85.510    22.880  ?       ?      169.126 26.071 0.000000       26.07060 
1 1 1 12  1  27 o 400.235 15.576 450.043   33.422  441.641   46.816  458.777   47.729  386.173 22.712 393.608 22.714 -7.434326      32.12111 
1 1 1 12  1  29 o 72.591  26.522 15.354    13.443  18.626    17.470  10.605    21.049  79.107  29.973 73.433  31.048 5.673477       43.15483 
1 1 1 12  1  31 o 55.999  24.935 -0.1239   15.108  10.351    19.650  -15.2659  23.626  70.531  29.919 58.470  27.777 12.06096       40.82549 
1 1 1 12  1  33 o 77.325  31.917 19.948    21.456  19.855    23.925  20.332    48.495  77.949  33.037 84.341  39.988 -6.391388      51.86969 
1 1 1 12  1  35 o 81.581  32.708 30.221    21.772  29.371    31.834  30.968    29.843  78.591  35.495 79.774  35.307 -1.182999      50.06466 
1 1 1 12  2  0  o 756.572 24.209 1543.69   98.197  1581.74   138.875 1505.64   138.870 763.631 33.921 744.813 34.777 18.81824       48.58042 
1 1 1 12  2  2  o 217.738 16.462 128.189   19.075  126.207   32.926  129.191   23.403  214.011 29.479 218.115 20.244 -4.104431      35.76017 
1 1 1 12  2  4  o 332.924 15.596 297.980   27.838  310.463   49.169  292.091   33.771  337.732 27.391 328.815 19.241 8.916626       33.47344 
1 1 1 12  2  6  o 631.070 18.135 1072.14   61.358  1130.45   106.601 1043.25   75.034  645.414 30.807 621.794 22.508 23.61963       38.15356 
1 1 1 12  2  8  o 540.371 20.947 787.782   60.685  842.436   86.225  734.137   85.424  556.449 29.003 518.840 30.849 37.60901       42.34158 
1 1 1 12  2  10 o 547.959 17.159 809.007   50.410  820.121   61.833  786.978   87.050  551.028 20.930 536.728 30.376 14.29950       36.88861 
1 1 1 12  2  12 o 491.680 16.683 652.080   43.978  660.782   53.933  634.813   75.971  494.204 20.355 481.088 29.598 13.11563       35.92220 
1 1 1 12  2  14 o 483.145 16.788 631.268   43.487  623.658   53.296  646.426   75.219  479.120 20.748 483.868 29.131 -4.748413      35.76482 
1 1 1 12  2  16 o 337.512 16.075 308.833   29.088  307.193   35.256  312.328   51.475  335.121 19.710 334.090 29.027 1.031006       35.08609 
1 1 1 12  2  18 o 237.487 15.795 154.059   19.997  145.328   33.776  158.770   24.812  225.961 28.516 239.968 19.454 -14.00711      34.51941 
1 1 1 12  2  20 f 66.076  21.879 11.664    9.0271  13.792    11.022  7.3303    15.732  71.934  24.184 68.940  27.745 2.994705       36.80564 
1 1 1 12  2  22 f 220.588 20.382 136.696   23.832  137.749   33.773  135.652   33.635  215.957 29.978 214.192 30.122 1.764832       42.49717 
1 1 1 12  2  24 o 137.346 17.568 53.274    12.640  42.514    17.981  63.786    17.772  117.829 28.724 147.921 23.170 -30.09233      36.90402 
1 1 1 12  2  26 o 75.347  25.506 16.500    12.262  20.472    19.094  13.713    15.996  84.705  31.492 74.156  28.540 10.54885       42.50044 
1 1 1 12  2  28 o 63.016  27.264 3.4530    16.924  -15.3909  32.254  10.612    19.880  69.949  32.998 72.987  30.473 -3.037827      44.91570 
1 1 1 12  2  30 o 307.511 19.364 278.752   31.761  286.587   37.540  259.016   59.579  306.165 23.039 250.577 46.046 55.58748       51.48785 
1 1 1 12  2  32 o 114.715 27.677 45.182    16.827  63.886    22.644  22.118    25.145  131.924 32.279 82.199  34.291 49.72471       47.09370 
1 1 1 12  2  34 o 67.452  29.312 11.944    19.736  6.1108    26.599  19.089    29.438  67.668  31.264 76.050  34.260 -8.381546      46.38050 
1 1 1 12  3  1  o 389.759 13.812 408.074   28.862  373.544   57.198  419.870   33.431  370.483 29.029 395.226 15.777 -24.74377      33.03927 
1 1 1 12  3  3  o 301.163 13.665 243.665   22.065  221.222   45.020  250.760   25.313  284.250 29.995 305.027 15.530 -20.77704      33.77655 
1 1 1 12  3  5  o 492.466 16.672 652.416   44.020  666.335   76.583  645.548   53.794  495.116 28.977 489.427 20.501 5.688843       35.49574 
1 1 1 12  3  7  o 452.551 16.269 551.057   39.473  570.246   68.612  541.563   48.259  457.847 28.087 448.199 20.083 9.647552       34.52884 
1 1 1 12  3  9  o 266.481 15.166 191.693   21.578  234.280   38.680  172.451   26.000  293.124 24.847 252.127 19.383 40.99644       31.51283 
1 1 1 12  3  11 o 196.650 16.434 104.959   17.167  113.518   31.095  101.206   20.590  201.943 29.599 192.452 20.259 9.491241       35.86799 
1 1 1 12  3  13 o 515.385 14.593 716.331   40.322  746.589   57.017  686.059   57.030  524.700 20.269 502.721 21.160 21.97925       29.30092 
1 1 1 12  3  15 o 356.935 16.215 345.086   31.030  353.674   54.101  340.876   37.880  356.481 28.547 353.237 20.085 3.243835       34.90443 
1 1 1 12  3  17 o 193.180 16.230 102.132   16.653  116.233   29.086  95.254    20.313  202.553 27.494 185.287 20.808 17.26546       34.48030 
1 1 1 12  3  19 o 199.086 16.313 108.892   17.259  86.920    29.447  120.390   21.301  171.221 33.278 208.426 19.281 -37.20569      38.45998 
1 1 1 12  3  21 o 187.525 16.859 97.349    16.768  85.794    19.863  126.011   31.283  174.119 21.752 207.763 28.864 -33.64410      36.14294 
1 1 1 12  3  23 o 224.905 14.679 139.423   17.603  146.477   24.039  131.267   25.848  228.003 19.864 214.080 22.875 13.92358       30.29585 
1 1 1 12  3  25 o 290.238 16.934 236.334   26.235  238.917   32.306  231.332   44.959  288.387 21.040 273.199 31.258 15.18857       37.67910 
1 1 1 12  3  27 o 108.844 29.369 38.636    17.534  34.266    20.909  48.992    32.189  100.986 33.291 114.558 41.157 -13.57184      52.93537 
1 1 1 12  3  29 o 118.778 29.701 47.226    18.864  77.804    37.297  36.714    21.868  135.357 44.455 101.868 34.065 33.48867       56.00602 
1 1 1 12  3  31 o 127.332 34.966 60.998    24.599  65.539    39.132  58.031    31.630  116.930 44.726 115.910 40.887 1.019203       60.59801 
1 1 1 12  3  33 o 60.852  26.521 5.8416    16.254  6.9091    21.264  4.3409    25.211  66.271  29.540 67.646  30.954 -1.374588      42.78750 
1 1 1 12  3  35 o 68.690  29.645 16.455    19.909  -30.5548  30.417  51.692    26.334  54.497  27.062 97.850  36.865 -43.35361      45.73148 
1 1 1 12  4  0  o 561.750 14.617 847.913   44.023  746.053   62.085  950.914   62.432  526.144 22.009 594.334 19.593 -68.18958      29.46699 
1 1 1 12  4  2  o 749.317 18.599 1511.21   74.720  1619.18   129.881 1457.80   91.351  772.762 31.349 735.139 23.178 37.62360       38.98699 
1 1 1 12  4  4  o 475.393 16.472 607.885   41.982  583.153   73.037  620.088   51.304  462.969 29.580 479.762 19.946 -16.79324      35.67630 
1 1 1 12  4  6  o 254.078 13.364 173.957   18.141  190.251   37.706  169.049   20.693  263.731 27.050 250.231 15.501 13.50031       31.17664 
1 1 1 12  4  8  o 312.740 13.515 262.951   22.661  278.048   46.119  258.146   26.019  319.055 27.222 309.312 15.742 9.742584       31.44592 
1 1 1 12  4  10 o 340.796 13.700 312.493   25.032  305.474   51.295  314.687   28.679  333.622 28.965 341.798 15.650 -8.176208      32.92303 
1 1 1 12  4  12 o 229.527 30.791 147.137   36.935  0.0000    0.0000  147.137   36.935  ?       ?      229.527 30.791 0.000000       30.79080 
1 1 1 12  4  14 o 272.361 30.136 207.690   43.267  0.0000    0.0000  207.690   43.267  ?       ?      272.361 30.136 0.000000       30.13558 
1 1 1 12  4  16 o 349.054 13.537 329.569   25.332  331.554   35.684  327.553   35.968  348.025 19.199 345.807 19.480 2.217834       27.35074 
1 1 1 12  4  18 o 237.335 14.318 153.510   18.133  150.946   25.425  156.165   25.868  233.338 20.533 237.367 20.529 -4.028305      29.03516 
1 1 1 12  4  20 o 347.982 13.964 329.752   26.052  319.085   36.634  340.665   37.055  338.856 20.258 350.435 19.804 -11.57892      28.32969 
1 1 1 12  4  22 o 59.903  24.890 3.6710    13.172  -11.1552  18.835  17.864    18.429  57.692  26.530 83.916  30.990 -26.22364      40.79478 
1 1 1 12  4  24 f 98.758  22.842 28.967    11.853  27.906    13.795  31.962    23.171  96.015  26.109 101.930 35.054 -5.915199      43.70931 
1 1 1 12  4  26 o 113.096 20.927 37.947    12.222  34.942    17.094  41.089    17.481  104.303 29.338 113.466 28.712 -9.163689      41.05009 
1 1 1 12  4  28 o 184.359 21.237 101.137   20.607  84.685    26.856  124.694   32.136  158.345 32.717 193.692 32.068 -35.34740      45.81274 
1 1 1 12  4  30 o 67.861  27.010 11.429    14.739  7.5306    20.187  15.880    21.570  69.336  29.887 77.829  32.050 -8.492798      43.82265 
1 1 1 12  4  32 o 67.780  27.182 12.629    15.042  6.0399    19.293  22.844    24.020  65.132  28.626 82.034  33.806 -16.90199      44.29762 
1 1 1 12  4  34 o 63.230  28.996 4.2917    22.288  31.476    43.493  -5.3894   25.955  82.144  38.617 61.055  29.037 21.08815       48.31543 
1 1 1 12  5  1  o 160.832 16.193 70.253    13.773  57.244    23.008  77.517    17.193  142.627 30.976 168.583 19.375 -25.95570      36.53642 
1 1 1 12  5  3  o 317.227 28.653 274.697   48.205  0.0000    0.0000  274.697   48.205  ?       ?      317.227 28.653 0.000000       28.65264 
1 1 1 12  5  5  o 439.796 16.123 520.362   38.015  0.0000    0.0000  520.362   38.015  ?       ?      439.796 16.123 0.000000       16.12254 
1 1 1 12  5  7  o 383.941 15.727 396.719   32.373  0.0000    0.0000  396.719   32.373  ?       ?      383.941 15.727 0.000000       15.72691 
1 1 1 12  5  9  o 492.734 21.068 656.468   55.655  612.945   78.558  700.325   78.859  472.746 31.170 506.136 29.185 -33.38947      42.70031 
1 1 1 12  5  11 o 264.107 20.869 190.223   29.310  210.093   40.823  169.084   42.106  275.844 27.992 245.782 32.771 30.06175       43.09822 
1 1 1 12  5  13 o 199.751 16.319 108.655   17.323  149.739   31.162  90.279    20.840  232.441 25.420 180.736 21.959 51.70474       33.59101 
1 1 1 12  5  15 o 96.819  28.702 26.554    15.965  34.298    21.515  17.066    23.815  109.692 33.503 90.848  34.858 18.84420       48.34780 
1 1 1 12  5  17 o 142.895 24.454 58.108    18.061  51.712    24.192  66.162    27.147  131.953 33.989 149.152 34.616 -17.19827      48.51307 
1 1 1 12  5  19 o 232.795 29.936 157.085   36.497  157.085   36.497  0.0000    0.0000  232.795 29.936 ?       ?      0.000000       29.93560 
1 1 1 12  5  21 o 145.179 21.951 60.187    16.552  60.187    16.552  0.0000    0.0000  145.179 21.951 ?       ?      0.000000       21.95107 
1 1 1 12  5  23 o 83.146  21.170 20.270    9.4617  26.113    12.524  12.501    14.441  93.575  24.629 72.436  27.297 21.13927       36.76593 
1 1 1 12  5  25 o 113.337 23.810 38.788    14.008  46.990    25.236  35.136    16.841  117.856 36.333 105.440 28.921 12.41591       46.43864 
1 1 1 12  5  27 o 145.624 20.448 62.616    15.524  75.678    24.661  54.041    19.980  151.647 31.367 128.906 29.543 22.74123       43.08933 
1 1 1 12  5  29 o 205.776 18.321 123.308   20.001  167.691   28.356  79.364    28.215  235.300 22.762 148.691 35.819 86.60852       42.43950 
1 1 1 12  5  31 o 67.201  26.522 12.060    14.099  2.4727    17.915  27.663    22.854  61.677  27.324 88.157  34.062 -26.47923      43.66684 
1 1 1 12  5  33 o 247.606 20.946 193.441   27.545  222.430   34.011  138.186   46.956  257.832 24.915 150.193 49.908 107.6388       55.78106 
1 1 1 12  6  0  o 337.365 12.747 305.700   23.056  282.918   32.608  328.479   32.605  323.627 18.875 349.411 17.405 -25.78387      25.67541 
1 1 1 12  6  2  o 505.736 16.780 688.125   45.496  676.975   55.720  710.427   78.804  501.143 20.739 511.264 28.868 -10.12140      35.54496 
1 1 1 12  6  4  o 276.625 13.700 205.677   20.319  192.373   28.704  219.039   28.766  266.352 20.253 284.499 18.968 -18.14725      27.74813 
1 1 1 12  6  6  f 749.802 16.305 1513.67   65.544  1596.67   131.881 1486.44   75.533  765.285 32.143 742.455 18.976 22.83032       37.32642 
1 1 1 12  6  8  o 279.874 16.285 211.796   24.330  232.227   43.197  202.303   29.444  290.756 28.060 272.856 20.273 17.90039       34.61674 
1 1 1 12  6  10 o 288.783 15.289 225.542   23.588  283.014   42.854  200.562   28.253  321.362 25.071 271.493 19.541 49.86938       31.78687 
1 1 1 12  6  12 o 339.241 14.727 310.825   26.786  326.661   47.299  303.349   32.499  344.221 25.818 333.997 18.218 10.22476       31.59824 
1 1 1 12  6  14 o 267.604 29.814 201.807   42.047  201.807   42.047  0.0000    0.0000  267.604 29.814 ?       ?      0.000000       29.81385 
1 1 1 12  6  16 o 177.113 32.961 91.660    30.146  91.660    30.146  0.0000    0.0000  177.113 32.961 ?       ?      0.000000       32.96058 
1 1 1 12  6  18 o 140.719 24.491 56.742    17.806  58.213    24.798  55.176    25.583  139.299 33.594 135.172 35.019 4.127594       48.52716 
1 1 1 12  6  20 o 248.941 20.692 173.435   27.366  157.520   38.406  189.851   39.005  230.694 31.906 255.561 28.980 -24.86708      43.10271 
1 1 1 12  6  22 o 107.166 19.705 33.022    10.904  32.403    12.625  34.838    21.638  105.003 23.057 106.605 33.764 -1.601982      40.88548 
1 1 1 12  6  24 o 113.557 20.378 37.663    11.950  37.151    17.996  38.067    15.983  108.537 29.950 111.108 27.078 -2.571693      40.37593 
1 1 1 12  6  26 o 92.021  21.413 25.539    10.366  18.436    13.857  34.564    15.620  78.713  27.106 104.291 27.532 -25.57743      38.63557 
1 1 1 12  6  28 o 73.648  28.536 14.345    16.075  0.0000    0.0000  14.345    16.075  ?       ?      73.648  28.536 0.000000       28.53586 
1 1 1 12  6  30 o 168.427 21.440 86.257    18.921  101.012   31.501  77.928    23.666  165.276 36.523 151.697 30.162 13.57877       47.36688 
1 1 1 12  6  32 o 93.555  42.829 42.272    48.340  42.272    48.340  0.0000    0.0000  93.555  42.829 ?       ?      0.000000       42.82877 
1 1 1 12  7  1  o 157.231 15.418 67.120    12.830  58.986    18.298  74.986    17.994  145.849 24.252 165.491 20.736 -19.64175      31.90823 
1 1 1 12  7  3  o 159.133 15.430 68.763    12.999  70.602    18.397  66.930    18.370  160.236 21.995 155.816 22.653 4.419632       31.57474 
1 1 1 12  7  5  o 340.049 15.534 311.288   28.320  340.807   34.871  254.095   48.538  355.040 18.383 304.030 30.177 51.00928       35.33507 
1 1 1 12  7  7  o 438.830 29.310 528.013   68.561  528.013   68.561  0.0000    0.0000  438.830 29.310 ?       ?      0.000000       29.31015 
1 1 1 12  7  9  o 572.534 19.135 887.578   58.737  1103.45   84.806  688.557   81.429  636.189 24.864 499.564 30.550 136.6247       39.38916 
1 1 1 12  7  11 o 225.477 30.261 142.909   35.658  142.909   35.658  0.0000    0.0000  225.477 30.261 ?       ?      0.000000       30.26091 
1 1 1 12  7  13 o 205.402 22.123 116.808   23.978  128.690   33.176  103.815   34.694  213.086 29.860 188.886 35.564 24.19989       46.43760 
1 1 1 12  7  15 o 520.469 21.572 744.903   60.194  806.343   85.370  684.158   84.886  534.640 29.903 490.159 32.486 44.47992       44.15340 
1 1 1 12  7  17 o 98.357  28.944 28.012    16.285  39.835    22.350  14.633    23.777  115.925 33.849 87.243  34.438 28.68160       48.28841 
1 1 1 12  7  19 f 160.756 23.804 73.871    19.896  87.640    28.920  61.499    27.414  171.094 32.720 141.371 36.055 29.72227       48.68893 
1 1 1 12  7  21 o 269.066 30.444 215.035   43.144  0.0000    0.0000  215.035   43.144  ?       ?      269.066 30.444 0.000000       30.44381 
1 1 1 12  7  23 o 95.351  29.372 27.902    16.496  62.399    24.483  -0.7780   22.324  139.709 33.180 69.284  30.607 70.42564       45.14105 
1 1 1 12  7  25 o 163.169 28.204 82.827    23.781  64.219    37.277  95.597    30.881  129.810 44.470 169.332 35.165 -39.52232      56.69387 
1 1 1 12  7  27 o 60.106  22.050 9.3025    9.3060  12.221    10.915  1.5353    17.806  66.696  23.966 63.038  27.608 3.657913       36.55899 
1 1 1 12  7  29 o 93.230  27.552 28.596    14.729  31.697    18.419  23.096    24.530  96.186  31.224 86.646  34.725 9.540405       46.69847 
1 1 1 12  7  31 o 116.048 30.796 48.646    19.478  41.053    49.929  50.009    21.154  96.194  43.841 115.571 32.682 -19.37714      54.68210 
1 1 1 12  8  0  o 116.201 17.446 37.164    10.533  42.194    14.505  31.553    15.321  123.038 22.830 105.881 26.928 17.15661       35.30269 
1 1 1 12  8  2  o 149.700 32.662 63.469    25.477  0.0000    0.0000  63.469    25.477  ?       ?      149.700 32.662 0.000000       32.66213 
1 1 1 12  8  4  o 211.114 13.652 120.415   15.369  125.517   21.687  115.268   21.784  214.785 19.030 205.591 20.017 9.193832       27.61926 
1 1 1 12  8  6  o 187.144 16.753 95.259    16.631  114.979   30.239  86.706    19.914  203.258 28.535 177.644 21.336 25.61353       35.62972 
1 1 1 12  8  8  o 369.476 12.595 367.662   24.949  480.433   51.861  333.705   28.458  419.421 23.153 351.642 15.095 67.77908       27.63922 
1 1 1 12  8  10 o 291.913 20.462 233.019   31.822  212.908   44.463  254.136   45.562  275.607 30.608 302.225 28.454 -26.61859      41.79103 
1 1 1 12  8  12 o 208.445 22.690 120.460   24.948  116.130   34.702  125.091   35.891  200.891 33.392 208.736 33.182 -7.844864      47.07483 
1 1 1 12  8  14 o 251.507 29.980 180.000   39.629  180.000   39.629  0.0000    0.0000  251.507 29.980 ?       ?      0.000000       29.98019 
1 1 1 12  8  16 o 204.592 34.004 123.239   35.989  0.0000    0.0000  123.239   35.989  ?       ?      204.592 34.004 0.000000       34.00417 
1 1 1 12  8  18 o 156.606 33.889 74.028    27.627  0.0000    0.0000  74.028    27.627  ?       ?      156.606 33.889 0.000000       33.88859 
1 1 1 12  8  20 o 149.805 35.067 69.846    27.666  0.0000    0.0000  69.846    27.666  ?       ?      149.805 35.067 0.000000       35.06697 
1 1 1 12  8  22 o 108.707 29.740 36.663    17.834  25.132    27.850  44.678    23.220  96.696  37.534 117.956 34.518 -21.25975      50.99317 
1 1 1 12  8  24 o 133.694 42.087 64.793    33.663  64.793    33.663  0.0000    0.0000  133.694 42.087 ?       ?      0.000000       42.08727 
1 1 1 12  8  26 o 142.718 31.061 66.152    23.092  103.515   38.005  44.285    29.074  167.367 42.327 111.781 39.219 55.58622       57.70327 
1 1 1 12  8  28 o 69.196  32.329 -10.8200  29.692  -10.8200  29.692  0.0000    0.0000  69.196  32.329 ?       ?      0.000000       32.32888 
1 1 1 12  8  30 o 56.024  24.322 2.6051    13.561  44.588    37.632  -3.6602   14.538  101.523 42.117 52.074  23.703 49.44879       48.32920 
1 1 1 12  8  32 o 70.716  32.897 5.0431    30.220  0.0000    0.0000  5.0431    30.220  ?       ?      70.716  32.897 0.000000       32.89669 
1 1 1 12  9  1  o 113.795 19.024 35.898    11.197  26.413    15.795  45.478    15.873  97.505  28.452 127.450 24.114 -29.94532      37.29602 
1 1 1 12  9  3  o 320.445 19.068 278.579   32.611  257.497   45.113  301.651   47.195  305.965 27.805 331.639 26.772 -25.67361      38.59834 
1 1 1 12  9  5  o 72.528  20.951 14.576    8.6036  13.256    11.902  16.022    12.451  72.964  25.121 78.177  25.686 -5.213104      35.92875 
1 1 1 12  9  7  o 164.346 22.626 74.911    19.407  67.982    27.972  81.343    26.949  153.400 34.810 169.186 30.847 -15.78629      46.51051 
1 1 1 12  9  9  o 196.558 33.691 110.728   34.226  0.0000    0.0000  110.728   34.226  ?       ?      196.558 33.691 0.000000       33.69089 
1 1 1 12  9  11 o 265.835 30.665 199.838   42.903  0.0000    0.0000  199.838   42.903  ?       ?      265.835 30.665 0.000000       30.66528 
1 1 1 12  9  13 o 318.917 20.546 280.009   34.943  294.054   49.326  265.860   49.508  322.850 28.800 305.898 30.598 16.95200       42.01962 
1 1 1 12  9  15 o 94.202  29.698 25.115    16.755  44.226    23.373  4.9098    24.032  121.935 34.309 79.001  33.276 42.93427       47.79493 
1 1 1 12  9  17 f 79.146  29.342 14.846    16.552  3.9472    25.287  23.015    21.893  79.291  33.797 93.915  33.917 -14.62357      47.88094 
1 1 1 12  9  19 o 199.918 23.939 114.500   25.148  133.867   38.940  100.643   32.937  208.499 36.145 180.788 35.248 27.71075       50.48666 
1 1 1 12  9  21 o 298.395 33.808 275.638   53.131  275.638   53.131  0.0000    0.0000  298.395 33.808 ?       ?      0.000000       33.80802 
1 1 1 12  9  23 o 104.201 31.480 34.550    19.071  61.378    29.399  15.060    25.058  133.657 38.764 84.403  34.625 49.25384       51.97615 
1 1 1 12  9  25 o 136.929 30.189 59.896    21.566  75.980    34.816  49.883    27.470  143.568 42.341 119.562 38.062 24.00675       56.93369 
1 1 1 12  9  27 o 123.351 32.534 51.613    21.825  98.566    36.347  25.140    27.292  161.554 41.685 91.543  36.649 70.01082       55.50520 
1 1 1 12  9  29 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 12  9  31 o 136.723 36.619 76.704    27.380  28.926    47.627  100.291   33.463  87.990  41.054 150.920 40.509 -62.92958      57.67500 
1 1 1 12  10 0  f 225.234 16.735 137.696   20.064  104.504   33.939  155.529   24.877  191.969 34.231 238.932 19.593 -46.96344      39.44194 
1 1 1 12  10 2  o 338.766 28.287 316.510   50.906  0.0000    0.0000  316.510   50.906  ?       ?      338.766 28.287 0.000000       28.28695 
1 1 1 12  10 4  f 251.685 15.777 171.786   21.182  181.339   26.119  153.432   36.203  257.956 19.020 234.394 29.460 23.56218       35.06614 
1 1 1 12  10 6  o 162.064 13.416 71.333    11.552  83.631    16.524  59.578    16.155  174.757 17.889 146.477 21.187 28.28003       27.72928 
1 1 1 12  10 8  o 184.307 13.625 92.238    13.368  95.272    19.283  89.431    18.548  186.084 19.624 180.256 19.504 5.827606       27.66789 
1 1 1 12  10 10 o 122.363 26.075 42.893    16.583  51.524    24.517  35.615    22.514  132.547 34.254 111.687 34.299 20.85965       48.47443 
1 1 1 12  10 12 o 131.496 27.986 50.014    19.124  38.396    27.360  61.112    26.742  116.120 38.072 143.516 35.057 -27.39617      51.75397 
1 1 1 12  10 14 o 82.181  28.733 17.428    15.599  20.337    21.079  13.906    23.193  90.839  33.207 86.083  34.003 4.755928       47.52786 
1 1 1 12  10 16 o 212.531 35.688 135.573   39.224  135.573   39.224  0.0000    0.0000  212.531 35.688 ?       ?      0.000000       35.68840 
1 1 1 12  10 18 o 87.071  35.637 13.058    26.467  13.058    26.467  0.0000    0.0000  87.071  35.637 ?       ?      0.000000       35.63717 
1 1 1 12  10 20 o 55.160  24.670 -4.1756   14.964  15.926    24.104  -16.7810  19.088  85.942  34.430 54.296  25.544 31.64590       42.87049 
1 1 1 12  10 22 o 147.973 29.446 67.715    22.538  26.621    33.703  100.959   30.314  100.281 40.521 178.798 32.833 -78.51669      52.15354 
1 1 1 12  10 24 o 46.962  22.519 -19.6072  16.308  -14.1263  31.588  -21.5987  19.041  72.252  33.619 50.985  24.417 21.26734       41.55017 
1 1 1 12  10 26 o 123.587 40.038 56.405    30.296  0.0000    0.0000  56.405    30.296  ?       ?      123.587 40.038 0.000000       40.03830 
1 1 1 12  10 28 o 158.074 33.406 87.072    27.425  94.853    45.231  82.549    34.487  140.671 48.942 142.149 42.196 -1.477280      64.62072 
1 1 1 12  10 30 o 76.326  31.883 17.123    21.778  -1.5527   39.068  25.543    26.231  75.629  35.867 84.857  35.180 -9.228348      50.24012 
1 1 1 12  11 1  o 244.708 14.192 162.099   18.539  167.033   27.155  157.792   25.372  247.090 20.689 240.301 19.872 6.788864       28.68657 
1 1 1 12  11 3  o 384.914 13.897 399.846   28.679  420.066   41.190  380.821   39.954  393.241 19.537 373.792 20.010 19.44962       27.96563 
1 1 1 12  11 5  o 343.951 13.448 319.347   24.799  358.157   36.016  284.361   34.196  362.651 18.587 322.660 19.864 39.99103       27.20380 
1 1 1 12  11 7  f 231.313 18.779 146.534   23.087  0.0000    0.0000  146.534   23.087  ?       ?      231.313 18.779 0.000000       18.77871 
1 1 1 12  11 9  o 186.426 16.155 95.038    15.987  101.086   30.141  92.670    18.859  187.664 31.042 183.252 19.494 4.411743       36.65595 
1 1 1 12  11 11 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 12  11 13 o 197.102 36.348 115.800   36.995  115.800   36.995  0.0000    0.0000  197.102 36.348 ?       ?      0.000000       36.34798 
1 1 1 12  11 15 f 200.597 24.269 114.255   25.569  88.125    36.480  139.490   35.849  167.617 40.945 217.984 31.596 -50.36630      51.71861 
1 1 1 12  11 17 o 86.094  32.106 18.533    19.875  10.865    28.019  26.298    28.197  86.819  36.206 100.438 38.073 -13.61947      52.54022 
1 1 1 12  11 19 f 148.077 28.909 66.325    22.127  73.176    34.549  61.561    28.811  147.470 41.789 137.506 37.875 9.964401       56.39908 
1 1 1 12  11 21 o 101.689 35.630 31.705    23.992  0.0000    0.0000  31.705    23.992  ?       ?      101.689 35.630 0.000000       35.63008 
1 1 1 12  11 23 o 368.796 22.402 393.975   44.083  54.486    62.251  735.483   62.436  124.599 53.066 503.378 23.135 -378.7791      57.89008 
1 1 1 12  11 25 o 129.363 32.567 55.465    22.571  88.405    36.963  35.879    28.502  153.313 43.148 103.525 38.479 49.78772       57.81327 
1 1 1 12  11 27 o 335.357 23.309 341.016   41.648  407.471   62.470  287.846   55.878  344.774 34.249 283.528 37.694 61.24597       50.92998 
1 1 1 12  12 0  o 308.832 15.910 258.696   26.253  296.493   33.239  196.018   42.803  329.920 18.870 264.293 30.785 65.62766       36.10781 
1 1 1 12  12 2  o 179.100 17.706 87.847    16.779  100.051   22.120  71.310    25.750  190.194 22.105 157.530 31.588 32.66418       38.55474 
1 1 1 12  12 4  o 252.796 20.643 175.459   27.733  188.646   42.260  165.485   36.754  258.460 31.124 242.760 28.801 15.69928       42.40524 
1 1 1 12  12 6  f 314.216 19.800 270.433   33.185  270.433   33.185  0.0000    0.0000  314.216 19.800 ?       ?      0.000000       19.79998 
1 1 1 12  12 8  o 219.025 19.061 131.902   22.159  0.0000    0.0000  131.902   22.159  ?       ?      219.025 19.061 0.000000       19.06059 
1 1 1 12  12 10 o 136.849 15.021 51.441    10.839  56.876    15.607  46.376    15.065  142.432 21.074 127.862 22.814 14.57002       31.05797 
1 1 1 12  12 12 o 276.758 21.771 213.071   32.043  214.080   47.076  212.199   43.739  271.211 33.060 271.522 30.579 -0.3113708     45.03368 
1 1 1 12  12 14 o 126.011 32.425 47.900    22.033  42.640    30.633  53.538    31.714  119.427 40.316 131.261 40.775 -11.83327      57.34104 
1 1 1 12  12 16 o 85.468  36.093 8.6453    28.390  0.0000    0.0000  8.6453    28.390  ?       ?      85.468  36.093 0.000000       36.09254 
1 1 1 12  12 18 o 135.245 37.431 58.984    28.062  0.0000    0.0000  58.984    28.062  ?       ?      135.245 37.431 0.000000       37.43095 
1 1 1 12  12 20 o 68.724  28.677 5.8808    17.593  3.2110    28.028  7.6165    22.599  79.701  34.778 76.782  32.301 2.918854       47.46468 
1 1 1 12  12 22 o 67.688  28.944 3.7564    18.654  -37.3716  29.899  29.966    23.868  61.314  29.672 99.082  35.457 -37.76824      46.23411 
1 1 1 12  12 24 f 184.593 27.726 105.101   26.592  133.838   41.986  85.852    34.362  193.848 41.641 154.517 40.856 39.33121       58.33693 
1 1 1 12  12 26 o 110.263 43.754 47.859    38.567  47.859    38.567  0.0000    0.0000  110.263 43.754 ?       ?      0.000000       43.75422 
1 1 1 12  13 1  o 53.969  20.814 5.2885    8.5210  14.767    16.529  1.8574    9.9444  80.226  29.393 51.974  21.613 28.25159       36.48446 
1 1 1 12  13 3  o 164.199 15.997 73.771    13.903  122.058   21.938  41.355    17.974  210.702 19.647 119.760 28.421 90.94221       34.55067 
1 1 1 12  13 5  o 299.444 14.181 242.714   22.767  294.492   33.609  198.806   30.950  327.994 19.196 268.464 21.688 59.53018       28.96325 
1 1 1 12  13 7  o 227.664 31.679 148.740   37.619  148.740   37.619  0.0000    0.0000  227.664 31.679 ?       ?      0.000000       31.67945 
1 1 1 12  13 9  o 427.298 14.373 495.647   32.928  529.586   46.817  462.423   46.321  439.182 19.883 409.238 21.184 29.94440       29.05371 
1 1 1 12  13 11 o 139.736 17.157 54.200    12.584  37.122    20.394  64.700    15.991  111.964 32.231 151.947 20.124 -39.98314      37.99805 
1 1 1 12  13 13 o 173.755 35.946 92.336    32.381  0.0000    0.0000  92.336    32.381  ?       ?      173.755 35.946 0.000000       35.94629 
1 1 1 12  13 15 o 126.735 31.389 48.922    21.216  48.903    31.522  48.937    28.687  124.574 40.867 124.711 38.786 -0.1363144     56.34258 
1 1 1 12  13 17 o 176.365 29.061 92.759    26.521  85.191    36.067  101.669   39.134  160.812 41.540 175.664 42.102 -14.85150      59.14534 
1 1 1 12  13 19 o 84.389  31.757 18.118    19.532  -29.7924  32.410  45.441    24.475  68.286  32.467 119.464 35.567 -51.17773      48.15731 
1 1 1 12  13 21 f 93.999  37.859 21.526    29.316  21.526    29.316  0.0000    0.0000  93.999  37.859 ?       ?      0.000000       37.85900 
1 1 1 12  13 23 o 116.197 43.214 48.083    35.959  48.083    35.959  0.0000    0.0000  116.197 43.214 ?       ?      0.000000       43.21408 
1 1 1 12  13 25 o 108.292 36.017 41.690    24.453  15.134    39.680  57.950    31.050  90.526  40.353 122.974 40.570 -32.44834      57.22117 
1 1 1 12  14 0  o 235.946 15.254 151.452   19.193  184.601   29.046  125.762   25.570  258.950 21.105 212.934 22.750 46.01653       31.03254 
1 1 1 12  14 2  o 170.202 26.153 81.916    23.101  54.056    33.466  107.271   31.927  135.432 41.856 193.072 31.962 -57.64087      52.66371 
1 1 1 12  14 4  o 218.465 21.514 132.255   24.872  0.0000    0.0000  132.255   24.872  ?       ?      218.465 21.514 0.000000       21.51416 
1 1 1 12  14 6  o 259.110 21.706 186.172   29.876  195.368   44.239  178.461   40.508  260.380 32.390 249.467 30.952 10.91287       44.80135 
1 1 1 12  14 8  o 95.171  30.650 25.543    17.774  50.414    27.820  8.3885    23.104  129.231 37.774 80.640  33.184 48.59108       50.27976 
1 1 1 12  14 10 o 211.577 17.427 123.581   19.593  121.719   34.928  124.436   23.667  202.590 33.316 210.863 21.223 -8.273285      39.50143 
1 1 1 12  14 12 o 141.609 18.541 56.205    13.738  50.971    23.367  58.970    16.983  129.366 33.445 143.577 22.827 -14.21156      40.49232 
1 1 1 12  14 14 o 152.072 38.657 73.219    31.585  0.0000    0.0000  73.219    31.585  ?       ?      152.072 38.657 0.000000       38.65668 
1 1 1 12  14 16 o 65.295  28.245 0.5149    18.158  10.877    27.878  -7.1202   23.930  86.461  36.091 68.584  30.893 17.87707       47.50729 
1 1 1 12  14 18 o 196.552 40.597 126.015   41.364  126.015   41.364  0.0000    0.0000  196.552 40.597 ?       ?      0.000000       40.59703 
1 1 1 12  14 20 o 139.187 44.642 68.785    37.735  68.785    37.735  0.0000    0.0000  139.187 44.642 ?       ?      0.000000       44.64154 
1 1 1 12  14 22 o 152.103 32.221 74.538    25.458  121.746   39.891  42.100    33.067  186.410 41.027 111.251 41.427 75.15841       58.30490 
1 1 1 12  14 24 o 68.555  30.135 2.9188    21.387  1.4384    35.112  3.7920    26.967  80.852  36.816 75.105  33.386 5.746719       49.69965 
1 1 1 12  15 1  o 242.953 22.867 164.217   29.434  180.622   42.925  149.657   40.439  250.340 32.769 226.794 34.332 23.54607       47.46051 
1 1 1 12  15 3  o 437.195 14.636 519.078   34.307  582.476   49.628  461.054   47.478  460.500 20.102 408.330 21.766 52.17020       29.62819 
1 1 1 12  15 5  o 338.028 16.569 311.875   30.027  390.262   54.844  278.319   35.883  371.315 27.750 316.863 21.246 54.45175       34.94932 
1 1 1 12  15 7  f 356.658 14.424 346.123   27.582  386.839   40.272  310.152   37.853  373.925 20.163 334.131 21.241 39.79349       29.28682 
1 1 1 12  15 9  o 46.810  20.517 -1.8461   9.8513  -3.2195   17.257  -1.1821   11.999  61.179  26.974 52.566  22.849 8.612679       35.35076 
1 1 1 12  15 11 o 194.165 19.247 105.105   19.772  111.217   26.856  97.872    29.216  196.745 26.105 181.915 31.072 14.83063       40.58271 
1 1 1 12  15 13 o 125.914 30.030 47.566    19.987  0.0000    0.0000  47.566    19.987  ?       ?      125.914 30.030 0.000000       30.02970 
1 1 1 12  15 15 o 152.492 30.723 70.062    24.250  32.046    35.966  101.748   32.835  109.977 42.663 181.909 34.938 -71.93256      55.14336 
1 1 1 12  15 17 o 145.114 31.016 64.488    23.399  20.321    32.921  109.578   33.264  97.445  39.798 188.003 34.264 -90.55827      52.51600 
1 1 1 12  15 19 o 77.040  31.112 11.641    19.856  2.5391    31.917  17.387    25.360  82.923  36.617 87.734  35.256 -4.810455      50.83050 
1 1 1 12  15 21 o 157.361 38.999 85.685    32.736  0.0000    0.0000  85.685    32.736  ?       ?      157.361 38.999 0.000000       38.99947 
1 1 1 12  16 0  o 142.317 19.213 56.485    14.285  77.204    22.430  42.349    18.528  164.361 26.345 120.253 29.061 44.10757       39.22462 
1 1 1 12  16 2  o 53.016  23.682 -4.8899   13.743  1.3197    17.344  -15.3648  22.527  65.652  27.987 62.455  28.826 3.196651       40.17708 
1 1 1 12  16 4  o 100.878 32.575 28.977    20.066  37.129    32.486  23.948    25.515  115.797 41.373 98.263  36.430 17.53442       55.12599 
1 1 1 12  16 6  o 133.148 28.312 51.906    19.588  46.677    29.744  55.910    26.030  124.637 39.598 135.957 35.373 -11.31981      53.09651 
1 1 1 12  16 8  o 277.253 20.971 213.928   30.941  250.620   45.516  182.404   42.189  295.371 29.122 249.729 32.265 45.64166       43.46387 
1 1 1 12  16 10 o 74.008  25.246 14.517    12.013  43.775    22.818  3.2956    14.131  120.399 33.906 61.640  25.709 58.75972       42.55120 
1 1 1 12  16 12 o 68.262  30.273 -4.1248   22.047  -4.1248   22.047  0.0000    0.0000  68.262  30.273 ?       ?      0.000000       30.27273 
1 1 1 12  16 14 o 166.644 17.354 77.420    15.277  87.714    25.735  71.819    18.984  172.083 28.920 158.158 23.067 13.92513       36.99259 
1 1 1 12  16 16 o 230.155 25.494 154.080   30.929  144.055   45.741  162.525   41.982  209.091 42.257 228.670 35.387 -19.57857      55.11681 
1 1 1 12  16 18 o 127.496 42.283 55.805    33.711  0.0000    0.0000  55.805    33.711  ?       ?      127.496 42.283 0.000000       42.28311 
1 1 1 12  17 1  o 187.273 18.651 96.985    18.477  72.678    27.305  117.520   25.097  156.548 33.542 204.682 23.284 -48.13394      40.83164 
1 1 1 12  17 3  o 172.609 19.290 82.764    17.546  94.643    26.023  72.863    23.758  181.643 27.590 158.389 29.048 23.25372       40.06214 
1 1 1 12  17 5  o 196.131 21.261 107.463   21.998  115.839   26.647  89.540    38.980  202.157 25.129 169.189 42.909 32.96815       49.72589 
1 1 1 12  17 7  o 303.157 14.939 250.434   24.281  310.719   35.283  196.203   33.465  335.133 19.724 264.074 23.896 71.05923       30.98460 
1 1 1 12  17 9  o 151.709 23.178 65.626    18.254  52.013    38.211  69.651    20.778  130.405 45.006 155.312 25.862 -24.90775      51.90736 
1 1 1 12  17 11 o 285.058 17.012 224.215   25.881  360.065   48.229  169.274   30.671  355.527 25.471 244.217 23.724 111.3100       34.80860 
1 1 1 12  17 13 o 81.309  28.360 17.891    15.192  0.0000    0.0000  17.891    15.192  ?       ?      81.309  28.360 0.000000       28.35997 
1 1 1 12  17 15 o 116.495 40.469 43.030    30.920  0.0000    0.0000  43.030    30.920  ?       ?      116.495 40.469 0.000000       40.46899 
1 1 1 12  18 0  o 226.160 18.125 140.874   21.793  121.407   33.525  155.118   28.678  204.355 31.620 235.532 23.004 -31.17621      39.10310 
1 1 1 12  18 2  o 174.069 21.298 84.832    19.462  115.922   31.351  65.340    24.824  200.075 30.164 148.546 32.106 51.52994       44.05326 
1 1 1 12  18 4  o 285.659 18.568 225.014   28.282  375.528   58.632  179.373   32.287  361.368 30.550 252.451 24.150 108.9164       38.94197 
1 1 1 12  18 6  o 279.574 23.482 219.749   34.871  335.364   56.644  149.193   44.250  339.868 31.443 221.280 38.709 118.5879       49.87046 
1 1 1 12  18 8  o 104.630 29.953 32.471    17.657  24.596    43.619  34.014    19.309  110.880 45.608 106.909 31.533 3.970398       55.44743 
1 1 1 12  18 10 o 176.400 25.282 89.868    23.227  0.0000    0.0000  89.868    23.227  ?       ?      176.400 25.282 0.000000       25.28214 
1 1 1 12  18 12 o 74.253  29.015 11.481    16.729  0.0000    0.0000  11.481    16.729  ?       ?      74.253  29.015 0.000000       29.01518 
1 1 1 12  19 1  o 161.136 27.161 75.026    22.630  120.318   58.172  66.949    24.565  188.505 54.486 150.272 31.497 38.23361       62.93465 
1 1 1 12  19 3  o 109.933 33.257 35.821    21.274  0.0000    0.0000  35.821    21.274  ?       ?      109.933 33.257 0.000000       33.25726 
1 1 1 12  19 5  o 85.245  35.089 10.754    25.842  14.365    53.796  9.6709    29.465  112.262 48.589 88.368  37.013 23.89466       61.08081 
1 1 1 12  19 7  o 97.896  35.923 25.482    24.701  81.680    51.466  8.6630    28.156  154.477 52.256 85.720  36.057 68.75669       63.48888 
1 1 1 13  0  1  o 510.149 21.137 703.256   57.585  703.256   57.585  703.256   57.585  510.149 21.137 510.149 21.137 0.000000       0.000000 
1 1 1 13  0  3  o 675.046 23.326 1230.45   84.190  1230.45   84.190  1230.45   84.190  675.046 23.326 675.046 23.326 0.000000       0.000000 
1 1 1 13  0  5  o 485.825 20.715 638.146   53.733  638.146   53.733  638.146   53.733  485.825 20.715 485.825 20.715 0.000000       0.000000 
1 1 1 13  0  7  o 645.533 22.657 1125.95   78.195  1125.95   78.195  1125.95   78.195  645.533 22.657 645.533 22.657 0.000000       0.000000 
1 1 1 13  0  9  o 497.305 20.863 669.313   55.401  669.313   55.401  669.313   55.401  497.305 20.863 497.305 20.863 0.000000       0.000000 
1 1 1 13  0  11 o 275.576 19.583 207.618   28.598  207.618   28.598  207.618   28.598  275.576 19.583 275.576 19.583 0.000000       0.000000 
1 1 1 13  0  13 o 718.109 34.157 1418.23   130.828 1418.23   130.828 1418.23   130.828 718.109 34.157 718.109 34.157 0.000000       0.000000 
1 1 1 13  0  15 o 80.566  31.243 24.099    12.838  24.099    12.838  24.099    12.838  80.566  31.243 80.566  31.243 0.000000       0.000000 
1 1 1 13  0  17 o 56.581  29.007 12.840    11.171  12.840    11.171  12.840    11.171  56.581  29.007 56.581  29.007 0.000000       0.000000 
1 1 1 13  0  19 o 206.189 20.817 118.823   22.475  118.823   22.475  118.823   22.475  206.189 20.817 206.189 20.817 0.000000       0.000000 
1 1 1 13  0  21 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 13  0  23 f 228.769 21.556 146.660   25.899  146.660   25.899  146.660   25.899  228.769 21.556 228.769 21.556 0.000000       0.000000 
1 1 1 13  0  25 o 66.910  37.584 18.040    20.397  18.040    20.397  18.040    20.397  66.910  37.584 66.910  37.584 0.000000       0.000000 
1 1 1 13  0  27 o 47.155  30.479 1.1468    18.049  1.1468    18.049  1.1468    18.049  47.155  30.479 47.155  30.479 0.000000       0.000000 
1 1 1 13  0  29 o 334.925 32.895 329.081   57.760  329.081   57.760  329.081   57.760  334.925 32.895 334.925 32.895 0.000000       0.000000 
1 1 1 13  0  31 o 68.643  41.362 17.432    27.682  17.432    27.682  17.432    27.682  68.643  41.362 68.643  41.362 0.000000       0.000000 
1 1 1 13  0  33 o 141.990 43.970 74.634    29.306  74.634    29.306  74.634    29.306  141.990 43.970 141.990 43.970 0.000000       0.000000 
1 1 1 13  1  0  o 392.535 16.264 414.363   34.227  447.640   59.116  397.582   41.979  405.927 27.322 383.609 20.486 22.31766       34.14925 
1 1 1 13  1  2  o 401.619 16.101 433.814   34.669  510.178   60.363  396.223   42.351  433.611 26.087 382.861 20.710 50.75067       33.30809 
1 1 1 13  1  4  o 336.780 16.050 305.132   28.980  293.908   50.575  310.619   35.360  327.955 29.065 338.948 19.541 -10.99307      35.02362 
1 1 1 13  1  6  o 492.096 20.799 653.576   54.873  585.409   77.591  721.783   77.613  462.692 31.466 514.928 28.221 -52.23560      42.26722 
1 1 1 13  1  8  o 179.735 21.294 88.531    20.120  85.294    28.178  91.897    28.740  174.251 31.313 181.174 30.683 -6.923309      43.84037 
1 1 1 13  1  10 o 635.892 18.189 1092.76   62.009  1089.19   75.954  1099.89   107.377 633.548 22.361 632.016 31.791 1.532104       38.86750 
1 1 1 13  1  12 o 192.267 20.531 101.570   20.836  89.801    29.511  113.269   29.423  177.515 32.194 201.171 28.043 -23.65614      42.69447 
1 1 1 13  1  14 o 203.848 19.690 114.312   21.251  114.312   21.251  0.0000    0.0000  203.848 19.690 ?       ?      0.000000       19.68975 
1 1 1 13  1  16 o 132.253 17.956 48.579    12.402  54.103    15.241  37.753    21.338  138.828 21.145 113.698 33.038 25.13031       39.22555 
1 1 1 13  1  18 o 234.626 16.127 151.049   20.163  126.232   34.151  164.330   24.983  207.654 31.679 243.592 19.287 -35.93733      37.08813 
1 1 1 13  1  20 o 146.881 15.857 59.796    12.289  51.753    17.440  67.728    17.319  133.207 25.346 154.433 21.500 -21.22612      33.23698 
1 1 1 13  1  22 o 62.771  21.541 10.425    8.7474  1.1990    11.655  22.324    13.236  53.894  22.958 86.990  26.214 -33.09600      34.84600 
1 1 1 13  1  24 o 414.171 21.077 493.200   46.647  0.0000    0.0000  493.200   46.647  ?       ?      414.171 21.077 0.000000       21.07722 
1 1 1 13  1  26 o 120.401 28.870 46.869    18.395  59.277    50.303  44.954    19.764  119.108 48.983 116.316 31.094 2.791481       58.01910 
1 1 1 13  1  28 o 93.405  29.829 29.061    16.862  48.116    23.764  9.7385    23.930  115.365 35.205 75.460  32.534 39.90473       47.93592 
1 1 1 13  1  30 o 157.386 24.757 78.916    20.200  95.013    26.692  57.339    30.903  165.650 31.199 115.886 40.447 49.76472       51.08156 
1 1 1 13  1  32 o 77.069  32.978 19.108    24.247  8.2978    27.682  54.736    50.257  71.524  32.616 96.384  43.950 -24.85953      54.72969 
1 1 1 13  2  1  o 537.283 15.020 776.022   43.267  672.098   85.898  811.353   50.085  496.436 32.452 549.159 17.011 -52.72311      36.64064 
1 1 1 13  2  3  o 361.878 16.238 352.298   31.505  351.439   54.450  352.730   38.627  359.016 28.524 361.220 20.024 -2.203735      34.85072 
1 1 1 13  2  5  o 398.697 14.025 427.377   29.980  420.758   60.457  429.536   34.523  392.691 28.919 399.513 16.118 -6.821472      33.10771 
1 1 1 13  2  7  o 795.297 17.596 1704.82   75.027  1715.69   150.368 1701.22   86.574  791.246 35.447 793.727 20.344 -2.480347      40.86991 
1 1 1 13  2  9  o 200.718 16.398 109.351   17.492  149.390   30.919  90.503    21.214  233.151 25.133 181.434 22.277 51.71712       33.58405 
1 1 1 13  2  11 o 295.702 13.519 235.672   21.433  244.230   30.334  227.140   30.288  299.656 18.979 288.781 19.680 10.87503       27.34076 
1 1 1 13  2  13 o 274.171 15.739 204.142   23.038  197.791   27.826  217.986   41.081  268.948 19.429 279.651 27.768 -10.70303      33.88957 
1 1 1 13  2  15 o 274.004 13.505 203.177   19.839  184.231   27.800  222.840   28.321  258.675 20.206 285.172 18.626 -26.49704      27.48149 
1 1 1 13  2  17 o 103.513 20.229 30.448    10.824  34.550    13.295  22.385    18.639  109.632 23.336 91.362  31.439 18.27014       39.15285 
1 1 1 13  2  19 o 504.695 17.350 699.913   46.946  713.130   57.439  673.317   81.479  506.435 21.155 480.563 31.804 25.87161       38.19749 
1 1 1 13  2  21 o 176.103 17.867 86.679    16.635  79.695    28.019  90.481    20.673  160.968 33.555 178.086 22.130 -17.11781      40.19482 
1 1 1 13  2  23 o 114.950 19.942 38.247    11.844  42.241    15.157  31.985    18.981  118.876 24.594 101.450 31.550 17.42564       40.00281 
1 1 1 13  2  25 o 235.921 15.357 156.256   19.319  161.004   27.104  151.354   27.544  234.241 21.834 225.964 23.059 8.277313       31.75580 
1 1 1 13  2  27 o 236.402 18.340 161.654   23.063  149.613   32.596  173.723   32.635  216.405 28.811 236.535 26.173 -20.12914      38.92453 
1 1 1 13  2  29 o 81.809  36.941 9.4427    34.462  -33.3854  61.584  28.969    41.583  82.846  40.633 95.170  41.921 -12.32398      58.38206 
1 1 1 13  2  31 o 161.199 29.325 90.069    24.410  88.132    27.961  96.275    50.053  151.741 35.072 124.206 49.665 27.53487       60.80014 
1 1 1 13  2  33 o 85.316  35.099 33.093    25.838  33.093    25.838  0.0000    0.0000  85.316  35.099 ?       ?      0.000000       35.09855 
1 1 1 13  3  0  o 351.152 16.074 331.614   30.261  326.586   51.647  334.242   37.342  346.238 28.064 351.688 19.886 -5.450073      34.39546 
1 1 1 13  3  2  o 641.745 18.147 1108.85   62.436  1103.99   108.468 1111.26   76.354  637.467 31.737 641.745 22.192 -4.278809      38.72658 
1 1 1 13  3  4  o 572.215 15.036 880.653   46.129  866.473   92.863  885.298   53.150  563.786 30.839 573.415 17.289 -9.628601      35.35495 
1 1 1 13  3  6  o 204.192 14.432 112.720   15.697  93.421    32.506  118.590   17.926  181.974 34.582 209.257 16.102 -27.28285      38.14715 
1 1 1 13  3  8  o 274.877 13.719 203.342   20.217  203.981   40.889  203.135   23.259  272.148 28.445 274.100 15.896 -1.951721      32.58470 
1 1 1 13  3  10 o 297.312 15.991 239.300   25.396  218.550   44.618  249.243   30.887  280.556 30.135 302.817 19.123 -22.26154      35.69069 
1 1 1 13  3  12 o 268.934 15.952 196.360   22.897  172.564   40.030  207.932   27.915  247.738 30.803 276.061 18.976 -28.32265      36.17942 
1 1 1 13  3  14 o 141.976 22.152 56.523    16.311  0.0000    0.0000  56.523    16.311  ?       ?      141.976 22.152 0.000000       22.15242 
1 1 1 13  3  16 o 173.086 16.706 82.390    15.310  80.917    24.606  83.321    19.556  167.691 28.382 172.638 21.602 -4.947769      35.66740 
1 1 1 13  3  18 o 244.691 15.580 164.097   20.332  180.240   25.271  134.470   34.236  255.331 18.589 214.747 30.602 40.58383       35.80531 
1 1 1 13  3  20 o 142.544 17.118 56.703    12.820  47.825    16.858  68.878    19.742  127.760 25.506 154.316 24.695 -26.55670      35.50204 
1 1 1 13  3  22 o 48.042  19.681 2.7279    8.0809  1.4762    11.359  4.0104    11.498  53.529  22.730 56.896  23.411 -3.367626      32.63025 
1 1 1 13  3  24 o 48.998  20.451 2.3343    8.9505  3.0654    10.709  0.6398    16.304  53.572  22.366 60.895  26.550 -7.322762      34.71491 
1 1 1 13  3  26 o 96.923  27.805 30.167    15.201  26.780    16.901  44.501    34.773  91.224  29.924 109.804 42.123 -18.58036      51.66990 
1 1 1 13  3  28 o 249.799 17.177 179.575   22.865  190.298   31.368  167.418   33.398  249.689 23.717 229.178 27.747 20.51096       36.50214 
1 1 1 13  3  30 o 100.967 40.433 42.767    33.230  11.256    65.683  53.606    38.523  91.564  44.231 107.600 43.377 -16.03556      61.95111 
1 1 1 13  3  32 o 85.806  39.305 30.218    40.798  0.0000    0.0000  30.218    40.798  ?       ?      85.806  39.305 0.000000       39.30518 
1 1 1 13  4  1  o 467.798 19.811 589.726   49.687  0.0000    0.0000  589.726   49.687  ?       ?      467.798 19.811 0.000000       19.81124 
1 1 1 13  4  3  o 260.918 18.914 184.406   26.278  0.0000    0.0000  184.406   26.278  ?       ?      260.918 18.914 0.000000       18.91401 
1 1 1 13  4  5  o 309.987 15.851 259.355   26.255  0.0000    0.0000  259.355   26.255  ?       ?      309.987 15.851 0.000000       15.85095 
1 1 1 13  4  7  o 250.491 19.247 170.454   25.650  0.0000    0.0000  170.454   25.650  ?       ?      250.491 19.247 0.000000       19.24702 
1 1 1 13  4  9  o 675.406 22.585 1239.36   81.782  0.0000    0.0000  1239.36   81.782  ?       ?      675.406 22.585 0.000000       22.58521 
1 1 1 13  4  11 o 597.877 15.472 966.181   49.594  1046.77   100.321 940.117   57.053  615.090 30.422 588.874 18.071 26.21527       35.38404 
1 1 1 13  4  13 o 229.721 15.843 143.719   19.394  175.876   34.761  129.186   23.368  251.050 26.213 216.610 20.361 34.43996       33.19196 
1 1 1 13  4  15 o 212.084 16.728 123.210   18.866  101.712   32.321  134.321   23.235  186.578 33.544 220.559 19.862 -33.98085      38.98336 
1 1 1 13  4  17 o 165.428 14.907 75.088    13.079  85.280    18.687  65.302    18.311  174.751 20.326 151.652 23.264 23.09883       30.89231 
1 1 1 13  4  19 o 309.011 16.446 262.693   27.149  213.759   46.067  288.733   33.604  268.762 32.640 322.335 19.538 -53.57260      38.04083 
1 1 1 13  4  21 o 257.384 20.769 187.090   28.416  167.057   40.001  207.499   40.374  234.698 32.677 265.112 28.872 -30.41354      43.60441 
1 1 1 13  4  23 o 260.600 19.788 193.556   27.441  150.677   37.221  244.613   40.615  219.027 32.698 286.337 26.768 -67.30966      42.25752 
1 1 1 13  4  25 o 240.196 17.793 164.668   22.750  159.457   39.569  167.241   27.805  218.981 34.873 238.325 22.010 -19.34409      41.23764 
1 1 1 13  4  27 o 45.954  20.963 -5.0254   11.449  -4.2605   12.243  -10.3589  32.330  48.300  21.895 72.415  33.800 -24.11590      40.27185 
1 1 1 13  4  29 o 83.339  30.255 22.618    17.454  16.324    20.408  39.762    33.683  77.417  31.444 100.914 40.603 -23.49683      51.35540 
1 1 1 13  4  31 o 118.642 36.063 57.630    24.971  67.737    29.268  30.586    47.876  124.115 39.264 89.902  41.679 34.21279       57.26087 
1 1 1 13  4  33 o 240.510 25.528 201.948   32.414  220.070   54.856  192.226   40.178  182.343 52.969 211.032 36.853 -28.68854      64.52809 
1 1 1 13  5  0  o 624.890 15.519 1050.29   51.992  981.737   73.353  1119.49   73.704  603.005 22.690 644.189 21.341 -41.18341      31.14881 
1 1 1 13  5  2  o 569.285 17.476 872.815   53.339  894.249   92.759  862.226   65.196  572.800 30.313 565.144 21.518 7.655762       37.17367 
1 1 1 13  5  4  f 349.694 15.609 329.196   29.263  285.929   51.022  350.406   35.723  322.798 29.819 359.998 18.572 -37.19986      35.12963 
1 1 1 13  5  6  o 202.440 13.800 110.801   14.889  117.910   30.990  108.668   16.976  206.053 28.843 200.183 15.950 5.869507       32.95919 
1 1 1 13  5  8  o 268.941 28.991 200.321   41.140  200.321   41.140  0.0000    0.0000  268.941 28.991 ?       ?      0.000000       28.99062 
1 1 1 13  5  10 o 177.837 14.134 85.881    13.365  114.838   29.415  78.348    15.003  202.594 27.815 169.352 16.743 33.24255       32.46584 
1 1 1 13  5  12 o 293.753 13.631 233.180   21.468  241.622   43.719  230.497   24.644  294.044 28.073 291.235 15.843 2.809692       32.23492 
1 1 1 13  5  14 o 86.931  27.558 20.908    14.413  25.161    19.055  15.222    22.032  95.924  31.789 86.625  33.451 9.299210       46.14637 
1 1 1 13  5  16 f 163.743 17.634 74.154    15.236  61.387    26.423  80.513    18.649  143.024 34.792 169.673 20.945 -26.64914      40.61019 
1 1 1 13  5  18 o 234.334 20.324 153.173   25.281  155.661   36.656  150.917   34.912  230.942 30.340 228.000 29.234 2.942230       42.13213 
1 1 1 13  5  20 f 226.176 16.054 141.387   19.340  103.227   31.308  164.935   24.594  184.375 32.878 242.929 19.036 -58.55373      37.99107 
1 1 1 13  5  22 o 135.575 18.779 52.442    13.283  54.107    15.925  48.635    24.079  135.984 22.640 122.685 34.930 13.29931       41.62511 
1 1 1 13  5  24 o 96.040  26.209 28.654    13.872  30.082    18.112  26.628    21.574  97.114  30.904 93.003  33.656 4.110512       45.69271 
1 1 1 13  5  26 o 199.372 24.148 120.263   25.286  0.0000    0.0000  120.263   25.286  ?       ?      199.372 24.148 0.000000       24.14824 
1 1 1 13  5  28 o 184.726 16.720 98.218    16.379  69.373    23.069  127.541   23.260  143.688 30.866 206.433 21.323 -62.74521      37.51543 
1 1 1 13  5  30 o 98.004  30.740 34.594    17.977  39.016    19.984  15.842    41.152  102.537 32.445 85.052  39.149 17.48512       50.84614 
1 1 1 13  5  32 f 84.850  34.791 30.298    25.282  53.985    42.847  17.646    31.314  95.244  42.223 76.799  34.892 18.44498       54.77432 
1 1 1 13  6  1  o 161.009 15.539 70.408    13.247  90.369    18.788  50.678    18.680  182.010 19.561 134.387 26.866 47.62216       33.23247 
1 1 1 13  6  3  o 871.341 26.341 2061.46   123.052 2054.63   173.984 2068.29   174.059 864.246 37.549 867.178 37.438 -2.931824      53.02438 
1 1 1 13  6  5  o 461.481 16.660 574.400   41.219  602.969   71.626  560.255   50.401  469.204 28.610 455.014 20.661 14.18945       35.29023 
1 1 1 13  6  7  o 409.593 13.641 452.022   29.956  518.406   60.980  430.907   34.392  434.907 26.276 399.521 16.056 35.38571       30.79378 
1 1 1 13  6  9  o 64.881  20.668 11.238    8.0986  -3.9738   21.445  13.768    8.7463  69.159  30.293 70.789  21.304 -1.629738      37.03414 
1 1 1 13  6  11 o 313.528 29.358 275.280   48.774  275.280   48.774  0.0000    0.0000  313.528 29.358 ?       ?      0.000000       29.35790 
1 1 1 13  6  13 o 209.483 18.668 120.665   20.746  162.296   31.531  88.885    27.549  241.094 24.745 175.770 30.330 65.32443       39.14340 
1 1 1 13  6  15 o 193.015 15.152 101.923   15.554  149.068   28.066  81.025    18.686  230.937 22.973 170.335 20.900 60.60178       31.05713 
1 1 1 13  6  17 f 207.516 21.928 120.888   24.027  107.777   33.516  134.749   34.463  189.941 34.169 214.780 30.811 -24.83937      46.00922 
1 1 1 13  6  19 o 140.618 34.386 61.038    25.708  61.038    25.708  0.0000    0.0000  140.618 34.386 ?       ?      0.000000       34.38589 
1 1 1 13  6  21 o 244.233 21.212 169.938   27.499  203.116   39.519  138.791   38.290  261.044 28.712 210.201 35.223 50.84326       45.44255 
1 1 1 13  6  23 o 152.482 33.610 75.598    26.736  0.0000    0.0000  75.598    26.736  ?       ?      152.482 33.610 0.000000       33.61028 
1 1 1 13  6  25 o 92.214  23.739 26.129    11.806  24.695    13.564  30.609    23.977  88.933  26.478 97.241  35.436 -8.308052      44.23571 
1 1 1 13  6  27 o 171.277 16.763 84.138    15.195  71.502    20.741  98.780    22.326  150.655 26.654 180.187 23.685 -29.53218      35.65652 
1 1 1 13  6  29 o 103.115 30.050 37.002    17.630  48.879    37.105  33.540    20.036  106.144 42.648 96.629  32.605 9.515739       53.68403 
1 1 1 13  6  31 f 90.265  36.432 34.256    27.210  -3.9374   48.178  52.146    32.972  77.086  37.391 102.744 40.555 -25.65820      55.16158 
1 1 1 13  7  0  f 410.155 13.791 452.542   30.326  449.956   43.023  455.095   42.754  408.247 19.657 410.606 19.421 -2.359406      27.63279 
1 1 1 13  7  2  f 305.289 13.701 250.819   22.425  243.720   31.790  257.850   31.639  299.647 19.901 308.371 19.233 -8.723877      27.67606 
1 1 1 13  7  4  o 276.312 15.445 206.490   22.789  201.115   27.427  218.474   40.957  272.077 18.920 281.631 27.475 -9.553986      33.35972 
1 1 1 13  7  6  o 177.171 16.561 85.539    15.548  117.732   28.573  71.997    18.532  205.882 26.502 161.327 22.000 44.55582       34.44300 
1 1 1 13  7  8  o 416.073 15.005 467.759   33.471  582.071   59.014  413.549   40.640  460.739 23.974 390.181 19.427 70.55774       30.85701 
1 1 1 13  7  10 f 235.967 13.131 150.812   16.546  176.497   35.459  143.664   18.707  251.516 26.705 229.870 15.266 21.64583       30.76015 
1 1 1 13  7  12 o 90.459  28.973 22.569    15.899  25.532    21.262  18.811    23.947  97.931  33.585 92.537  35.085 5.393997       48.56798 
1 1 1 13  7  14 o 254.286 21.387 179.377   28.887  186.241   40.628  172.359   41.080  254.958 30.316 244.196 32.160 10.76196       44.19678 
1 1 1 13  7  16 o 300.057 20.849 250.187   33.332  272.376   47.094  227.913   47.183  308.324 28.824 279.753 32.036 28.57117       43.09489 
1 1 1 13  7  18 f 395.550 30.795 457.643   64.790  0.0000    0.0000  457.643   64.790  ?       ?      395.550 30.795 0.000000       30.79459 
1 1 1 13  7  20 o 108.012 28.131 35.411    16.452  28.623    23.017  42.501    23.523  98.929  34.880 116.138 34.935 -17.20927      49.36673 
1 1 1 13  7  22 o 97.567  29.983 29.645    17.201  8.9893    26.594  44.502    22.554  81.135  34.623 116.890 33.967 -35.75511      48.50256 
1 1 1 13  7  24 o 194.553 41.298 134.234   41.744  134.234   41.744  0.0000    0.0000  194.553 41.298 ?       ?      0.000000       41.29811 
1 1 1 13  7  26 o 95.810  38.879 27.963    31.168  27.963    31.168  0.0000    0.0000  95.810  38.879 ?       ?      0.000000       38.87913 
1 1 1 13  7  28 o 153.853 30.961 80.037    24.654  119.643   40.323  56.391    31.156  171.028 43.788 117.860 40.641 53.16766       59.74191 
1 1 1 13  7  30 o 99.844  34.548 39.517    22.524  1.3765    41.476  55.470    26.824  77.936  36.960 114.449 37.706 -36.51331      52.79924 
1 1 1 13  8  1  o 313.531 16.062 265.840   26.908  265.456   33.018  266.598   46.431  312.595 19.804 311.197 28.133 1.397736       34.40441 
1 1 1 13  8  3  o 531.750 21.382 767.460   60.958  766.403   86.675  768.494   85.747  527.065 30.807 527.971 30.421 -0.9061279     43.29616 
1 1 1 13  8  5  o 215.058 15.571 125.571   17.832  108.864   21.502  162.374   31.912  199.207 20.421 242.544 24.894 -43.33754      32.19856 
1 1 1 13  8  7  o 158.926 18.740 69.499    15.660  58.938    28.635  74.005    18.706  142.077 37.167 163.326 21.915 -21.24889      43.14684 
1 1 1 13  8  9  o 275.860 12.199 205.315   18.042  295.129   38.883  180.673   20.367  327.586 22.272 257.978 14.787 69.60745       26.73374 
1 1 1 13  8  11 f 143.603 37.545 61.404    29.232  0.0000    0.0000  61.404    29.232  ?       ?      143.603 37.545 0.000000       37.54494 
1 1 1 13  8  13 o 149.308 36.194 66.825    28.672  0.0000    0.0000  66.825    28.672  ?       ?      149.308 36.194 0.000000       36.19434 
1 1 1 13  8  15 o 180.270 23.318 91.818    22.008  88.870    30.293  95.113    32.027  172.665 33.934 178.367 34.741 -5.702072      48.56416 
1 1 1 13  8  17 o 292.174 20.734 238.552   32.268  203.012   44.820  276.798   46.494  261.731 32.651 309.552 28.329 -47.82114      43.22746 
1 1 1 13  8  19 o 129.723 31.595 51.936    21.770  42.831    32.794  59.110    29.109  117.101 41.597 135.131 38.381 -18.03053      56.59915 
1 1 1 13  8  21 o 171.443 24.962 87.067    22.270  82.157    33.295  91.042    29.958  155.573 39.767 168.689 34.294 -13.11549      52.51137 
1 1 1 13  8  23 o 128.318 41.066 58.788    31.946  58.788    31.946  0.0000    0.0000  128.318 41.066 ?       ?      0.000000       41.06618 
1 1 1 13  8  25 o 66.457  27.956 6.2092    16.927  19.905    32.110  0.9384    19.920  91.186  38.439 65.848  29.010 25.33744       48.15733 
1 1 1 13  8  27 o 87.647  32.832 24.578    20.830  -3.5105   36.789  37.833    25.272  78.593  36.472 102.502 36.505 -23.90889      51.60216 
1 1 1 13  8  29 o 101.104 34.211 38.980    22.059  32.929    36.345  42.510    27.756  93.111  40.119 101.866 37.951 -8.755463      55.22478 
1 1 1 13  9  0  o 190.236 20.656 99.291    20.729  115.311   28.997  82.548    29.644  203.590 27.249 170.020 33.712 33.57018       43.34738 
1 1 1 13  9  2  o 199.802 16.652 108.662   17.675  94.121    29.623  116.700   22.025  182.240 31.456 206.406 20.161 -24.16544      37.36227 
1 1 1 13  9  4  o 95.707  20.159 25.812    10.017  13.959    15.024  35.300    13.441  77.578  28.084 111.729 23.198 -34.15083      36.42581 
1 1 1 13  9  6  o 94.078  25.500 25.139    13.184  0.0000    0.0000  25.139    13.184  ?       ?      94.078  25.500 0.000000       25.50034 
1 1 1 13  9  8  o 111.378 20.664 34.918    11.885  15.340    22.543  42.454    13.986  87.758  33.851 122.755 22.063 -34.99688      40.40622 
1 1 1 13  9  10 o 127.202 27.235 46.619    18.013  28.553    24.656  67.300    26.380  103.748 36.132 151.465 33.385 -47.71668      49.19485 
1 1 1 13  9  12 o 201.640 22.983 113.755   24.401  124.106   33.574  102.167   35.526  207.297 31.175 185.032 37.103 22.26558       48.46149 
1 1 1 13  9  14 o 205.635 22.924 118.846   24.843  143.251   34.295  91.898    36.038  222.871 29.421 172.841 39.723 50.03011       49.43190 
1 1 1 13  9  16 o 284.423 20.887 226.110   31.628  217.230   44.434  235.228   45.029  272.254 30.994 284.140 30.013 -11.88562      43.14450 
1 1 1 13  9  18 o 272.994 34.269 227.758   49.051  227.758   49.051  0.0000    0.0000  272.994 34.269 ?       ?      0.000000       34.26923 
1 1 1 13  9  20 o 196.526 38.430 126.462   39.041  126.462   39.041  0.0000    0.0000  196.526 38.430 ?       ?      0.000000       38.43020 
1 1 1 13  9  22 o 107.321 32.010 36.866    19.812  42.761    31.974  33.192    25.241  113.013 40.961 102.481 36.484 10.53255       54.85369 
1 1 1 13  9  24 o 43.396  21.094 -23.5250  15.554  17.555    28.941  -40.2090  18.444  88.232  36.796 42.290  21.013 45.94190       42.37369 
1 1 1 13  9  26 o 85.795  35.118 19.793    25.703  0.0000    0.0000  19.793    25.703  ?       ?      85.795  35.118 0.000000       35.11754 
1 1 1 13  9  28 o 126.528 35.001 59.813    24.544  79.717    39.810  47.608    31.174  129.401 45.846 106.955 40.145 22.44590       60.93842 
1 1 1 13  10 1  o 281.638 13.914 214.055   21.010  205.132   29.592  223.125   29.834  273.961 20.292 285.970 19.577 -12.00845      28.19598 
1 1 1 13  10 3  o 364.718 15.309 359.727   29.936  272.780   50.554  406.677   37.149  312.206 30.596 387.169 17.897 -74.96280      35.44563 
1 1 1 13  10 5  o 118.818 17.374 39.096    10.741  27.047    16.126  48.704    14.399  97.833  28.805 132.032 21.049 -34.19930      35.67635 
1 1 1 13  10 7  o 266.073 15.891 192.677   22.565  267.020   42.897  164.235   26.533  309.729 26.075 244.339 20.442 65.38963       33.13322 
1 1 1 13  10 9  o 274.606 18.491 206.679   27.066  0.0000    0.0000  206.679   27.066  ?       ?      274.606 18.491 0.000000       18.49142 
1 1 1 13  10 11 o 318.259 20.941 279.815   35.532  306.975   50.419  253.017   50.082  329.145 28.863 296.795 31.979 32.34967       43.07838 
1 1 1 13  10 13 o 155.230 35.661 72.802    29.054  72.802    29.054  0.0000    0.0000  155.230 35.661 ?       ?      0.000000       35.66099 
1 1 1 13  10 15 o 122.633 36.323 46.142    25.576  46.142    25.576  0.0000    0.0000  122.633 36.323 ?       ?      0.000000       36.32339 
1 1 1 13  10 17 o 198.646 24.846 114.243   25.882  139.614   38.107  92.519    35.263  213.093 34.538 169.235 39.572 43.85718       52.52446 
1 1 1 13  10 19 o 141.141 33.221 62.948    24.720  62.255    35.788  63.580    34.187  134.400 43.513 136.338 42.332 -1.937607      60.70747 
1 1 1 13  10 21 o 94.430  35.168 25.644    23.832  0.0000    0.0000  25.644    23.832  ?       ?      94.430  35.168 0.000000       35.16824 
1 1 1 13  10 23 o 65.154  29.175 -2.9215   20.996  0.0000    0.0000  -2.9215   20.996  ?       ?      65.154  29.175 0.000000       29.17503 
1 1 1 13  10 25 o 50.970  24.114 -15.0847  17.453  -26.5021  30.555  -9.5551   21.264  64.344  30.846 60.261  27.881 4.083870       41.57868 
1 1 1 13  10 27 o 90.770  34.349 28.331    22.926  22.242    40.838  31.134    27.704  91.282  40.795 93.893  37.139 -2.610931      55.16819 
1 1 1 13  11 0  o 173.571 18.465 82.702    16.919  85.398    30.217  81.470    20.420  172.028 33.968 171.214 22.814 0.8132782      40.91824 
1 1 1 13  11 2  o 319.476 16.292 277.270   27.812  283.628   34.664  265.781   46.595  322.001 20.181 308.611 28.483 13.39023       34.90767 
1 1 1 13  11 4  o 131.808 22.038 48.773    15.024  60.965    22.548  39.040    20.147  145.512 29.903 116.175 31.537 29.33715       43.46006 
1 1 1 13  11 6  o 200.004 17.065 109.507   18.123  107.247   22.711  113.469   30.072  196.601 21.920 199.911 28.897 -3.309631      36.26974 
1 1 1 13  11 8  o 211.704 19.538 123.598   21.926  177.803   36.661  93.414    27.357  251.048 27.699 180.547 29.264 70.50029       40.29461 
1 1 1 13  11 10 o 78.614  28.749 14.659    15.802  2.6270    21.342  29.258    23.509  73.355  31.152 103.249 35.316 -29.89403      47.09204 
1 1 1 13  11 12 o 138.854 27.755 56.242    19.940  61.909    27.441  49.903    29.023  142.765 35.890 128.122 38.864 14.64317       52.90110 
1 1 1 13  11 14 o 204.402 23.621 118.882   25.409  104.398   34.478  136.099   37.591  184.549 36.140 212.680 34.121 -28.13042      49.70261 
1 1 1 13  11 16 o 339.164 21.533 324.827   38.952  319.121   53.783  331.122   56.491  327.506 30.999 332.492 32.089 -4.986053      44.61680 
1 1 1 13  11 18 o 298.833 33.841 274.957   53.262  0.0000    0.0000  274.957   53.262  ?       ?      298.833 33.841 0.000000       33.84097 
1 1 1 13  11 20 o 99.172  36.958 28.574    26.327  0.0000    0.0000  28.574    26.327  ?       ?      99.172  36.958 0.000000       36.95791 
1 1 1 13  11 22 o 101.227 32.922 32.609    20.473  11.546    32.549  46.397    26.335  87.880  37.915 117.380 37.256 -29.49988      53.15643 
1 1 1 13  11 24 f 84.008  31.493 20.517    19.173  16.302    32.823  22.701    23.621  88.875  38.209 88.625  34.520 0.2505417      51.49343 
1 1 1 13  11 26 o 77.095  32.243 13.843    22.312  -2.6561   40.279  21.147    26.799  80.659  37.674 85.922  35.585 -5.262756      51.82327 
1 1 1 13  12 1  f 226.935 16.206 140.335   19.587  208.364   37.799  115.361   22.902  273.594 26.085 204.399 21.208 69.19537       33.61872 
1 1 1 13  12 3  o 100.993 25.247 29.234    13.633  21.413    17.497  41.318    21.749  90.014  30.469 119.225 32.935 -29.21128      44.86747 
1 1 1 13  12 5  o 45.644  20.138 -2.6324   9.6346  -5.4502   13.863  -0.0001   13.399  53.014  23.725 57.226  24.502 -4.211800      34.10639 
1 1 1 13  12 7  o 229.788 14.280 143.720   17.505  144.834   25.165  142.676   24.367  228.787 20.741 227.240 20.212 1.546387       28.96074 
1 1 1 13  12 9  f 333.904 15.514 303.558   27.772  293.138   33.987  324.497   48.178  326.117 19.529 339.226 26.707 -13.10901      33.08495 
1 1 1 13  12 11 o 64.195  26.358 4.8817    14.536  9.7114    21.306  0.6758    19.883  79.155  32.136 68.935  29.688 10.21986       43.75076 
1 1 1 13  12 13 o 263.845 33.154 207.515   45.863  0.0000    0.0000  207.515   45.863  ?       ?      263.845 33.154 0.000000       33.15432 
1 1 1 13  12 15 o 187.041 39.484 111.756   38.351  0.0000    0.0000  111.756   38.351  ?       ?      187.041 39.484 0.000000       39.48378 
1 1 1 13  12 17 o 141.240 33.159 62.203    24.679  71.444    35.349  53.416    34.470  145.811 42.568 127.407 42.768 18.40450       60.34147 
1 1 1 13  12 19 o 228.041 26.201 153.126   31.452  159.604   44.488  146.653   44.471  221.863 38.815 210.518 40.876 11.34523       56.36892 
1 1 1 13  12 21 o 120.211 31.647 46.167    20.676  55.344    31.087  38.887    27.688  126.434 40.515 109.203 38.275 17.23073       55.73558 
1 1 1 13  12 23 o 198.103 43.484 144.269   44.917  144.269   44.917  0.0000    0.0000  198.103 43.484 ?       ?      0.000000       43.48374 
1 1 1 13  12 25 o 136.817 34.914 66.575    25.695  93.943    41.143  49.075    32.900  147.012 46.557 111.433 41.356 35.57904       62.27299 
1 1 1 13  13 0  o 105.022 22.596 31.392    12.346  36.832    21.969  28.881    14.925  113.131 33.700 100.340 27.105 12.79041       43.24801 
1 1 1 13  13 2  o 58.407  24.035 3.3295    12.121  -11.6255  25.570  7.6638    13.766  70.134  31.731 66.868  26.265 3.266129       41.19077 
1 1 1 13  13 4  o 49.838  22.254 -4.5334   12.126  -13.1478  19.694  0.7264    15.388  59.023  27.136 61.805  26.355 -2.782112      37.82814 
1 1 1 13  13 6  o 82.830  25.251 19.282    12.230  5.2371    22.048  25.524    14.698  76.660  32.056 94.304  27.426 -17.64452      42.18703 
1 1 1 13  13 8  o 239.878 16.466 157.906   21.048  142.836   36.259  165.564   25.848  221.496 31.414 244.372 19.902 -22.87639      37.18790 
1 1 1 13  13 10 o 116.714 18.843 38.432    11.389  24.485    18.207  47.396    14.597  93.311  31.080 128.892 21.908 -35.58120      38.02573 
1 1 1 13  13 12 o 119.350 31.089 43.047    20.091  100.645   31.896  5.1583    25.869  182.285 33.884 80.343  34.213 101.9416       48.15250 
1 1 1 13  13 14 o 219.429 25.476 138.910   29.413  118.883   42.184  157.857   41.031  191.542 42.216 227.636 34.719 -36.09377      54.65909 
1 1 1 13  13 16 o 225.459 25.973 147.737   30.822  123.853   43.670  171.442   43.507  193.587 43.175 235.633 35.544 -42.04576      55.92401 
1 1 1 13  13 18 o 153.682 33.204 73.928    26.559  70.372    37.482  77.513    37.639  142.665 44.330 149.844 43.976 -7.178207      62.44220 
1 1 1 13  13 20 o 100.872 41.094 26.598    34.986  26.598    34.986  0.0000    0.0000  100.872 41.094 ?       ?      0.000000       41.09356 
1 1 1 13  13 22 o 105.281 34.317 36.858    22.241  35.513    35.702  37.710    28.431  104.967 41.955 105.799 38.583 -0.8325577     56.99838 
1 1 1 13  14 1  f 130.754 20.770 48.032    14.073  60.400    22.185  39.702    18.205  144.136 29.696 116.661 29.181 27.47449       41.63438 
1 1 1 13  14 3  o 409.275 21.344 462.955   46.672  505.469   67.211  423.363   64.860  421.707 29.922 384.407 31.756 37.30011       43.63173 
1 1 1 13  14 5  o 185.955 17.479 95.410    17.221  91.655    27.015  97.980    22.351  177.796 29.366 186.654 22.810 -8.857834      37.18430 
1 1 1 13  14 7  o 116.549 20.650 38.591    12.431  38.033    18.766  39.027    16.594  113.244 30.310 115.320 27.268 -2.075958      40.77063 
1 1 1 13  14 9  o 323.724 20.558 291.724   35.496  0.0000    0.0000  291.724   35.496  ?       ?      323.724 20.558 0.000000       20.55822 
1 1 1 13  14 11 o 138.678 16.581 53.494    12.083  38.798    17.620  66.542    16.602  114.070 28.805 153.452 20.709 -39.38234      35.47628 
1 1 1 13  14 13 f 305.216 22.208 262.569   36.090  256.230   53.959  267.700   48.548  291.082 35.298 301.928 30.405 -10.84570      46.58774 
1 1 1 13  14 15 o 173.198 42.348 98.576    38.995  98.576    38.995  0.0000    0.0000  173.198 42.348 ?       ?      0.000000       42.34795 
1 1 1 13  14 17 o 125.424 43.060 52.118    34.956  52.118    34.956  0.0000    0.0000  125.424 43.060 ?       ?      0.000000       43.05984 
1 1 1 13  14 19 o 212.216 42.713 154.834   46.914  0.0000    0.0000  154.834   46.914  ?       ?      212.216 42.713 0.000000       42.71251 
1 1 1 13  14 21 o 183.434 38.764 116.213   36.929  0.0000    0.0000  116.213   36.929  ?       ?      183.434 38.764 0.000000       38.76420 
1 1 1 13  15 0  o 475.887 15.159 616.120   38.677  638.225   55.698  595.536   53.749  480.722 21.611 464.381 21.589 16.34109       30.54664 
1 1 1 13  15 2  o 400.947 14.677 437.237   31.549  477.288   45.665  400.659   43.639  416.086 20.470 380.138 21.501 35.94717       29.68690 
1 1 1 13  15 4  o 176.871 17.704 86.529    16.562  101.005   25.184  75.495    21.986  188.274 25.614 162.140 26.185 26.13367       36.62963 
1 1 1 13  15 6  o 233.272 16.000 149.330   19.889  144.153   30.095  153.344   26.502  225.310 25.354 234.336 21.328 -9.026398      33.13165 
1 1 1 13  15 8  o 257.773 18.305 183.669   25.133  160.828   31.941  220.795   40.724  237.797 25.449 277.566 27.737 -39.76929      37.64320 
1 1 1 13  15 10 f 141.632 20.788 56.767    15.315  65.171    20.357  45.808    23.248  149.774 26.312 122.748 34.104 27.02681       43.07416 
1 1 1 13  15 12 o 69.353  23.998 12.578    10.868  2.4127    31.759  13.926    11.566  85.280  37.122 72.336  24.771 12.94434       44.62773 
1 1 1 13  15 14 o 249.371 24.031 178.055   31.731  196.819   47.287  162.687   42.796  253.016 35.864 229.699 35.929 23.31630       50.76495 
1 1 1 13  15 16 o 186.819 30.071 105.535   29.097  98.153    41.179  112.896   41.120  168.639 44.790 183.311 42.644 -14.67194      61.84358 
1 1 1 13  15 18 o 78.970  33.056 9.8870    23.478  3.9051    32.506  16.411    33.948  83.836  36.990 93.099  39.400 -9.262566      54.04229 
1 1 1 13  16 1  o 125.167 27.118 45.591    17.672  44.905    25.669  46.209    24.365  122.606 36.406 124.291 35.049 -1.685127      50.53562 
1 1 1 13  16 3  o 60.700  25.124 3.5411    13.348  11.665    22.409  -0.9262   16.618  82.761  33.182 62.212  26.965 20.54928       42.75725 
1 1 1 13  16 5  o 88.818  26.400 22.620    13.493  3.4748    22.636  33.170    16.804  75.566  32.087 106.262 28.783 -30.69603      43.10525 
1 1 1 13  16 7  o 215.573 17.054 128.100   19.549  113.887   28.421  140.862   26.932  198.933 27.373 223.796 22.763 -24.86348      35.60100 
1 1 1 13  16 9  o 310.450 17.152 265.460   28.437  290.397   36.310  225.905   45.731  322.562 21.113 277.861 31.240 44.70117       37.70516 
1 1 1 13  16 11 o 179.645 28.329 94.675    26.380  111.692   41.642  83.268    34.094  186.148 42.641 161.995 39.591 24.15341       58.18704 
1 1 1 13  16 13 o 82.408  26.734 19.366    13.504  0.0000    0.0000  19.366    13.504  ?       ?      82.408  26.734 0.000000       26.73428 
1 1 1 13  16 15 o 116.698 39.955 43.699    30.091  0.0000    0.0000  43.699    30.091  ?       ?      116.698 39.955 0.000000       39.95466 
1 1 1 13  16 17 o 141.140 41.931 69.981    34.044  0.0000    0.0000  69.981    34.044  ?       ?      141.140 41.931 0.000000       41.93082 
1 1 1 13  17 0  o 74.220  26.808 13.341    13.678  46.594    25.779  0.3109    16.137  124.748 36.332 62.535  26.835 62.21231       45.16801 
1 1 1 13  17 2  o 175.150 20.105 85.543    18.537  71.356    28.769  95.616    24.241  153.839 35.588 183.333 25.340 -29.49402      43.68766 
1 1 1 13  17 4  o 260.442 20.112 188.224   27.864  232.537   35.963  121.664   44.076  287.913 23.503 197.255 42.899 90.65869       48.91573 
1 1 1 13  17 6  o 227.482 17.399 142.795   21.059  163.413   31.339  125.821   28.436  240.113 24.697 209.883 25.815 30.22917       35.72577 
1 1 1 13  17 8  o 109.449 30.192 35.780    18.293  0.0000    0.0000  35.780    18.293  ?       ?      109.449 30.192 0.000000       30.19238 
1 1 1 13  17 10 f 68.512  27.109 8.6178    14.765  0.0000    0.0000  8.6178    14.765  ?       ?      68.512  27.109 0.000000       27.10852 
1 1 1 13  17 12 o 42.095  20.954 -44.3304  18.689  0.0000    0.0000  -44.3304  18.689  ?       ?      42.095  20.954 0.000000       20.95446 
1 1 1 13  18 1  o 347.147 21.779 335.507   40.329  0.0000    0.0000  335.507   40.329  ?       ?      347.147 21.779 0.000000       21.77920 
1 1 1 13  18 3  o 115.400 33.170 39.873    21.614  0.0000    0.0000  39.873    21.614  ?       ?      115.400 33.170 0.000000       33.17001 
1 1 1 13  18 5  o 64.604  30.015 -17.8827  25.031  0.0000    0.0000  -17.8827  25.031  ?       ?      64.604  30.015 0.000000       30.01523 
1 1 1 13  18 7  o 166.012 28.447 81.087    24.408  0.0000    0.0000  81.087    24.408  ?       ?      166.012 28.447 0.000000       28.44658 
1 1 1 13  18 9  o 108.693 36.394 35.619    24.961  0.0000    0.0000  35.619    24.961  ?       ?      108.693 36.394 0.000000       36.39371 
1 1 1 13  19 0  o 88.457  35.516 14.470    25.712  58.537    42.779  -10.4527  32.171  136.850 47.598 78.790  35.624 58.06055       59.45275 
1 1 1 13  19 2  o 100.132 37.903 25.189    27.921  0.0000    0.0000  25.189    27.921  ?       ?      100.132 37.903 0.000000       37.90333 
1 1 1 14  0  0  f 75.603  38.209 22.756    19.223  22.756    19.223  22.756    19.223  75.603  38.209 75.603  38.209 0.000000       0.000000 
1 1 1 14  0  2  o 654.788 32.641 1168.44   113.938 1168.44   113.938 1168.44   113.938 654.788 32.641 654.788 32.641 0.000000       0.000000 
1 1 1 14  0  4  o 143.601 29.115 61.981    19.846  61.981    19.846  61.981    19.846  143.601 29.115 143.601 29.115 0.000000       0.000000 
1 1 1 14  0  6  o 157.692 26.025 72.316    20.201  72.316    20.201  72.316    20.201  157.692 26.025 157.692 26.025 0.000000       0.000000 
1 1 1 14  0  8  o 536.835 21.442 781.265   61.490  781.265   61.490  781.265   61.490  536.835 21.442 536.835 21.442 0.000000       0.000000 
1 1 1 14  0  10 o 393.573 20.035 421.331   42.026  421.331   42.026  421.331   42.026  393.573 20.035 393.573 20.035 0.000000       0.000000 
1 1 1 14  0  12 f 35.699  23.069 -0.1526   10.332  -0.1526   10.332  -0.1526   10.332  35.699  23.069 35.699  23.069 0.000000       0.000000 
1 1 1 14  0  14 o 74.686  36.796 22.714    17.615  22.714    17.615  22.714    17.615  74.686  36.796 74.686  36.796 0.000000       0.000000 
1 1 1 14  0  16 o 358.869 19.906 352.348   38.030  352.348   38.030  352.348   38.030  358.869 19.906 358.869 19.906 0.000000       0.000000 
1 1 1 14  0  18 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 14  0  20 o 202.044 32.295 121.360   32.304  121.360   32.304  121.360   32.304  202.044 32.295 202.044 32.295 0.000000       0.000000 
1 1 1 14  0  22 o 102.427 34.038 37.357    16.639  37.357    16.639  37.357    16.639  102.427 34.038 102.427 34.038 0.000000       0.000000 
1 1 1 14  0  24 f 85.909  35.791 29.312    16.465  29.312    16.465  29.312    16.465  85.909  35.791 85.909  35.791 0.000000       0.000000 
1 1 1 14  0  26 o 157.004 33.835 78.128    24.990  78.128    24.990  78.128    24.990  157.004 33.835 157.004 33.835 0.000000       0.000000 
1 1 1 14  0  28 o 51.921  33.484 2.5482    21.616  2.5482    21.616  2.5482    21.616  51.921  33.484 51.921  33.484 0.000000       0.000000 
1 1 1 14  0  30 o 141.775 39.050 69.611    25.668  69.611    25.668  69.611    25.668  141.775 39.050 141.775 39.050 0.000000       0.000000 
1 1 1 14  0  32 o 212.026 34.966 141.899   36.497  141.899   36.497  141.899   36.497  212.026 34.966 212.026 34.966 0.000000       0.000000 
1 1 1 14  1  1  o 678.372 16.618 1238.95   60.439  1276.28   85.597  1201.84   85.351  687.100 23.236 666.604 23.882 20.49573       33.32075 
1 1 1 14  1  3  o 637.739 18.489 1096.84   63.216  1111.47   109.548 1089.55   77.404  637.340 32.164 634.634 22.749 2.706299       39.39591 
1 1 1 14  1  5  o 265.882 16.415 191.287   23.285  166.274   40.601  203.547   28.424  244.583 31.709 273.794 19.491 -29.21048      37.22048 
1 1 1 14  1  7  o 513.919 21.108 716.284   58.157  719.085   82.354  713.498   82.140  511.015 30.193 509.001 30.236 2.013733       42.72988 
1 1 1 14  1  9  o 290.772 19.745 230.620   30.599  243.097   43.465  218.360   43.084  296.166 27.695 280.079 29.118 16.08710       40.18544 
1 1 1 14  1  11 o 408.634 16.228 452.665   35.553  445.273   43.524  467.486   61.632  404.087 20.090 409.804 28.224 -5.717529      34.64379 
1 1 1 14  1  13 o 135.997 17.788 51.223    12.659  50.730    15.384  52.255    22.275  134.191 22.157 133.608 31.594 0.5825806      38.58897 
1 1 1 14  1  15 o 217.703 15.870 129.805   18.395  105.372   30.946  143.156   22.876  190.126 31.460 227.696 18.910 -37.56946      36.70560 
1 1 1 14  1  17 o 123.313 16.778 42.394    10.805  45.413    15.254  39.356    15.306  125.585 23.520 116.172 25.292 9.413002       34.53812 
1 1 1 14  1  19 o 147.071 18.980 60.937    14.616  61.674    25.955  60.595    17.687  140.967 34.600 144.821 23.592 -3.853775      41.87766 
1 1 1 14  1  21 o 53.700  20.740 5.7790    8.4701  5.5983    11.352  6.0060    12.722  58.589  23.572 61.414  24.868 -2.825207      34.26468 
1 1 1 14  1  23 o 135.964 26.505 56.828    18.626  0.0000    0.0000  56.828    18.626  ?       ?      135.964 26.505 0.000000       26.50478 
1 1 1 14  1  25 o 145.771 24.909 65.279    18.768  76.673    31.601  59.070    23.328  144.425 39.619 132.207 33.012 12.21794       51.56958 
1 1 1 14  1  27 o 197.633 18.477 113.850   19.350  106.878   28.768  119.611   26.150  179.323 31.047 195.867 25.507 -16.54448      40.18128 
1 1 1 14  1  29 o 145.707 25.374 68.602    19.101  101.789   28.529  41.635    25.717  169.258 32.621 102.369 36.786 66.88895       49.16639 
1 1 1 14  1  31 o 69.502  30.342 11.773    21.357  11.773    21.357  0.0000    0.0000  69.502  30.342 ?       ?      0.000000       30.34245 
1 1 1 14  2  0  o 382.251 14.568 392.971   29.855  390.876   42.684  394.979   41.775  379.987 21.034 382.082 20.468 -2.094147      29.34853 
1 1 1 14  2  2  o 186.709 15.308 94.445    15.188  69.330    29.210  103.751   17.781  156.121 35.677 195.503 17.137 -39.38184      39.57967 
1 1 1 14  2  4  o 518.590 15.008 724.157   41.728  690.877   83.818  735.122   48.114  501.877 31.307 522.139 17.188 -20.26205      35.71479 
1 1 1 14  2  6  o 543.772 17.403 798.504   50.737  695.581   87.741  850.208   62.189  501.857 32.790 560.247 20.704 -58.39020      38.77980 
1 1 1 14  2  8  o 400.161 16.406 432.808   35.197  412.318   60.750  443.162   43.184  385.982 29.582 404.130 19.931 -18.14740      35.66963 
1 1 1 14  2  10 o 417.708 20.363 475.322   45.602  434.555   64.683  515.607   64.300  394.271 30.846 431.188 27.966 -36.91681      41.63581 
1 1 1 14  2  12 o 195.407 16.520 104.431   17.145  108.246   20.963  96.724    29.793  198.070 20.016 183.355 31.439 14.71558       37.27018 
1 1 1 14  2  14 o 107.760 23.379 33.312    13.119  33.312    13.119  0.0000    0.0000  107.760 23.379 ?       ?      0.000000       23.37947 
1 1 1 14  2  16 o 151.178 18.187 63.593    14.445  57.555    17.373  77.116    26.001  141.946 23.661 161.667 31.128 -19.72087      39.09982 
1 1 1 14  2  18 o 257.777 20.170 185.665   27.653  180.520   38.176  191.344   40.110  248.813 29.172 255.794 29.806 -6.981125      41.70624 
1 1 1 14  2  20 o 127.116 17.628 45.612    11.690  57.199    16.485  33.893    16.579  140.527 22.651 105.703 28.573 34.82394       36.46245 
1 1 1 14  2  22 o 77.381  22.325 17.750    9.7745  21.085    13.525  14.104    14.142  83.924  26.706 73.535  27.150 10.38915       38.08297 
1 1 1 14  2  24 o 152.989 18.439 67.554    14.819  71.420    19.146  61.776    23.404  153.774 24.008 136.605 32.439 17.16916       40.35674 
1 1 1 14  2  26 o 193.403 20.377 110.162   20.811  120.185   37.684  105.765   24.963  181.117 39.887 184.588 25.940 -3.470917      47.58052 
1 1 1 14  2  28 o 192.939 40.346 143.556   40.392  89.692    64.772  177.832   51.669  121.621 52.976 200.737 48.542 -79.11594      71.85249 
1 1 1 14  2  30 o 193.681 21.589 117.219   22.036  108.437   31.099  126.075   31.229  167.109 35.790 185.657 32.561 -18.54787      48.38569 
1 1 1 14  3  1  o 517.304 21.109 722.832   58.544  0.0000    0.0000  722.832   58.544  ?       ?      517.304 21.109 0.000000       21.10881 
1 1 1 14  3  3  o 881.946 26.277 2113.31   124.249 0.0000    0.0000  2113.31   124.249 ?       ?      881.946 26.277 0.000000       26.27726 
1 1 1 14  3  5  o 524.287 21.271 744.721   59.791  0.0000    0.0000  744.721   59.791  ?       ?      524.287 21.271 0.000000       21.27140 
1 1 1 14  3  7  o 465.343 16.669 585.205   41.587  0.0000    0.0000  585.205   41.587  ?       ?      465.343 16.669 0.000000       16.66911 
1 1 1 14  3  9  o 190.546 30.872 103.011   30.459  0.0000    0.0000  103.011   30.459  ?       ?      190.546 30.872 0.000000       30.87181 
1 1 1 14  3  11 o 173.766 17.325 82.831    15.925  0.0000    0.0000  82.831    15.925  ?       ?      173.766 17.325 0.000000       17.32541 
1 1 1 14  3  13 o 94.603  25.325 25.715    13.099  0.0000    0.0000  25.715    13.099  ?       ?      94.603  25.325 0.000000       25.32495 
1 1 1 14  3  15 o 218.969 14.219 130.839   16.602  125.817   23.614  135.747   23.345  212.512 21.001 221.225 19.896 -8.713531      28.92872 
1 1 1 14  3  17 o 177.222 14.975 86.337    14.095  75.642    19.516  97.997    20.378  163.063 22.960 186.885 20.685 -23.82202      30.90335 
1 1 1 14  3  19 o 290.042 16.406 232.497   25.406  233.544   42.512  231.915   31.688  282.429 28.464 287.138 20.723 -4.709290      35.20855 
1 1 1 14  3  21 o 205.958 15.551 118.078   17.044  112.865   22.496  125.104   26.116  198.044 21.534 206.966 23.981 -8.921783      32.23026 
1 1 1 14  3  23 o 137.949 20.983 55.877    15.030  66.218    18.248  34.067    26.502  148.722 23.680 102.238 37.256 46.48346       44.14445 
1 1 1 14  3  25 o 84.139  26.292 22.049    13.164  21.841    14.580  22.967    30.624  83.852  27.807 91.745  38.022 -7.893143      47.10482 
1 1 1 14  3  27 o 102.196 26.084 33.640    14.340  30.758    17.846  38.892    24.088  95.422  30.710 103.693 35.736 -8.271629      47.11906 
1 1 1 14  3  29 o 151.885 23.041 72.537    18.173  24.831    24.512  130.762   27.080  85.380  34.537 201.058 25.711 -115.6783      43.05700 
1 1 1 14  3  31 o 100.524 42.131 58.157    38.212  0.0000    0.0000  58.157    38.212  ?       ?      100.524 42.131 0.000000       42.13071 
1 1 1 14  4  0  o 308.912 16.561 257.779   27.327  265.140   47.150  254.056   33.534  310.989 28.600 306.031 20.558 4.957581       35.22178 
1 1 1 14  4  2  o 574.520 17.278 890.119   53.219  960.327   92.695  855.596   65.000  593.497 29.132 562.336 21.560 31.16101       36.24209 
1 1 1 14  4  4  o 252.241 16.717 172.430   22.479  170.439   40.260  173.331   27.096  247.542 31.016 252.276 20.203 -4.734070      37.01580 
1 1 1 14  4  6  o 112.257 18.257 34.958    10.610  34.269    23.537  35.134    11.887  111.517 35.203 112.104 20.534 -0.5869370     40.75451 
1 1 1 14  4  8  o 201.660 14.308 110.346   15.369  107.155   31.736  111.324   17.566  194.302 31.548 202.186 16.345 -7.883759      35.53032 
1 1 1 14  4  10 o 185.847 16.912 94.486    16.666  98.340    30.674  92.872    19.852  185.108 32.070 183.369 20.546 1.739227       38.08723 
1 1 1 14  4  12 o 239.882 16.149 157.065   20.648  184.308   36.697  144.445   24.977  255.984 27.153 228.706 20.591 27.27739       34.07753 
1 1 1 14  4  14 f 119.871 19.380 40.375    12.030  41.679    23.084  39.889    14.095  118.631 34.332 118.107 23.087 0.5239334      41.37289 
1 1 1 14  4  16 o 204.507 17.272 115.466   18.761  83.844    32.555  131.188   22.955  165.269 37.590 217.060 19.949 -51.79054      42.55552 
1 1 1 14  4  18 o 225.731 17.201 141.200   20.661  169.713   35.761  126.915   25.313  241.357 28.166 211.410 22.687 29.94791       36.16688 
1 1 1 14  4  20 f 128.110 39.526 54.119    29.859  0.0000    0.0000  54.119    29.859  ?       ?      128.110 39.526 0.000000       39.52613 
1 1 1 14  4  22 o 89.672  21.954 24.067    10.470  22.859    13.356  25.993    16.863  86.664  26.380 91.785  29.879 -5.120750      39.85867 
1 1 1 14  4  24 o 130.567 21.834 50.798    14.744  39.830    16.878  86.141    30.297  111.738 28.179 158.271 36.456 -46.53346      46.07695 
1 1 1 14  4  26 o 216.823 15.945 133.605   18.406  98.485    24.070  183.052   28.561  177.952 25.996 248.230 21.678 -70.27791      33.84907 
1 1 1 14  4  28 o 127.578 43.067 71.297    34.957  0.0000    0.0000  71.297    34.957  ?       ?      127.578 43.067 0.000000       43.06699 
1 1 1 14  4  30 o 152.070 33.524 87.791    26.596  87.791    26.596  0.0000    0.0000  152.070 33.524 ?       ?      0.000000       33.52423 
1 1 1 14  5  1  o 293.090 14.320 231.285   22.501  221.059   31.967  241.327   31.679  285.058 21.066 298.126 19.934 -13.06827      29.00274 
1 1 1 14  5  3  o 35.148  16.210 -5.6333   7.1040  -8.5585   18.193  -5.1071   7.7166  60.000  26.990 37.663  17.192 22.33677       32.00040 
1 1 1 14  5  5  o 215.960 21.578 127.932   24.649  137.321   34.781  118.459   34.937  221.565 30.055 204.651 32.962 16.91467       44.60732 
1 1 1 14  5  7  o 188.920 16.385 97.289    16.431  116.688   29.702  88.734    19.724  204.124 27.869 179.400 20.898 24.72353       34.83409 
1 1 1 14  5  9  o 197.517 13.871 105.944   14.595  135.678   31.675  97.930    16.445  219.927 27.462 189.373 16.358 30.55391       31.96474 
1 1 1 14  5  11 o 160.156 14.602 70.064    12.400  74.084    26.849  68.975    13.980  159.438 32.512 158.439 16.710 0.9996338      36.55449 
1 1 1 14  5  13 o 97.145  21.423 26.973    10.858  10.680    22.099  32.158    12.466  81.770  32.892 105.980 22.628 -24.21005      39.92426 
1 1 1 14  5  15 o 139.161 18.528 54.079    13.480  55.850    25.822  53.415    15.805  135.790 35.184 137.120 22.262 -1.329880      41.63553 
1 1 1 14  5  17 o 313.324 16.525 270.289   27.661  262.675   48.482  273.964   33.680  299.545 30.620 313.464 20.148 -13.91898      36.65365 
1 1 1 14  5  19 o 163.663 23.110 77.369    19.714  84.361    28.319  70.794    27.460  165.235 33.121 150.012 34.814 15.22220       48.05217 
1 1 1 14  5  21 o 177.179 18.870 89.433    17.649  103.270   20.888  54.901    32.997  189.276 20.935 125.580 41.842 63.69524       46.78697 
1 1 1 14  5  23 o 161.557 16.577 74.032    14.155  68.770    18.820  80.884    21.478  151.305 24.002 163.347 25.346 -12.04279      34.90756 
1 1 1 14  5  25 o 146.139 27.459 67.238    20.724  0.0000    0.0000  67.238    20.724  ?       ?      146.139 27.459 0.000000       27.45909 
1 1 1 14  5  27 o 90.132  25.526 26.134    12.895  15.082    16.052  46.243    21.652  73.774  28.534 114.099 33.316 -40.32514      43.86560 
1 1 1 14  5  29 o 88.920  32.971 29.108    20.901  40.081    35.426  23.249    25.886  96.539  40.518 83.548  34.818 12.99107       53.42311 
1 1 1 14  6  0  o 547.456 17.651 809.350   51.807  790.365   89.393  818.951   63.572  535.973 31.245 549.699 21.571 -13.72626      37.96758 
1 1 1 14  6  2  o 247.812 17.030 166.655   22.488  172.217   27.447  155.293   39.225  251.246 20.556 235.568 31.877 15.67799       37.93000 
1 1 1 14  6  4  o 246.970 20.520 166.717   26.924  208.645   38.690  127.348   37.490  274.813 26.592 211.794 34.181 63.01910       43.30659 
1 1 1 14  6  6  o 99.341  23.114 28.016    12.079  63.551    21.986  12.655    14.456  149.497 28.471 74.994  27.487 74.50334       39.57433 
1 1 1 14  6  8  o 144.042 18.163 57.248    13.715  46.919    25.773  61.328    16.199  127.012 36.128 148.507 20.926 -21.49465      41.75108 
1 1 1 14  6  10 o 185.784 14.726 94.097    14.547  107.281   32.133  90.698    16.315  192.897 32.207 181.887 16.925 11.01007       36.38293 
1 1 1 14  6  12 o 197.533 16.353 106.951   17.163  87.325    30.403  116.130   20.793  172.082 34.160 205.084 19.132 -33.00203      39.15220 
1 1 1 14  6  14 o 174.694 23.795 86.417    21.706  98.306    30.643  74.442    30.753  182.668 32.479 156.412 37.213 26.25600       49.39332 
1 1 1 14  6  16 o 329.679 13.350 295.769   23.596  319.272   48.650  288.540   26.982  333.690 27.437 324.784 15.495 8.905365       31.50983 
1 1 1 14  6  18 o 93.514  21.734 25.532    10.689  59.872    20.665  12.989    12.490  141.515 28.227 71.400  25.638 70.11504       38.13263 
1 1 1 14  6  20 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 14  6  22 o 101.673 30.649 32.969    18.092  37.913    24.916  27.456    26.312  107.044 36.359 96.059  36.691 10.98504       51.65440 
1 1 1 14  6  24 o 136.864 20.591 55.098    14.641  60.103    17.410  43.007    27.060  141.013 23.881 110.957 37.890 30.05629       44.78760 
1 1 1 14  6  26 o 139.111 17.789 56.256    12.964  57.483    17.336  54.699    19.526  136.055 24.675 129.425 28.873 6.630936       37.98082 
1 1 1 14  6  28 o 75.263  34.963 0.0011    33.947  0.0011    33.947  0.0000    0.0000  75.263  34.963 ?       ?      0.000000       34.96337 
1 1 1 14  6  30 o 82.181  37.677 22.569    37.602  22.569    37.602  0.0000    0.0000  82.181  37.677 ?       ?      0.000000       37.67736 
1 1 1 14  7  1  o 447.394 15.924 540.547   38.195  467.261   46.587  690.825   66.712  414.312 21.042 503.165 24.730 -88.85272      32.47058 
1 1 1 14  7  3  o 376.709 13.076 382.553   26.409  333.733   37.042  433.017   37.660  350.045 19.819 399.886 17.566 -49.84106      26.48349 
1 1 1 14  7  5  o 131.152 25.905 48.815    17.569  53.321    24.727  44.221    24.967  135.545 34.066 123.916 35.660 11.62894       49.31670 
1 1 1 14  7  7  o 52.051  18.682 6.2564    6.6308  14.524    18.931  5.1002    7.0792  82.728  31.236 50.599  19.102 32.12824       36.61367 
1 1 1 14  7  9  o 282.494 13.276 215.811   20.107  233.850   42.120  210.486   22.883  288.768 27.540 278.157 15.405 10.61124       31.55578 
1 1 1 14  7  11 o 49.206  18.853 4.5765    6.9604  -18.0027  19.653  7.8146    7.4427  55.955  26.194 56.550  19.843 -0.5942039     32.86150 
1 1 1 14  7  13 o 101.573 35.033 28.330    23.152  0.0000    0.0000  28.330    23.152  ?       ?      101.573 35.033 0.000000       35.03349 
1 1 1 14  7  15 o 210.981 33.358 132.426   36.478  0.0000    0.0000  132.426   36.478  ?       ?      210.981 33.358 0.000000       33.35778 
1 1 1 14  7  17 o 122.456 28.407 45.021    18.289  14.501    25.360  78.096    26.400  86.972  35.148 160.420 31.819 -73.44810      47.41117 
1 1 1 14  7  19 o 135.169 35.594 59.107    26.150  59.107    26.150  0.0000    0.0000  135.169 35.594 ?       ?      0.000000       35.59382 
1 1 1 14  7  21 o 176.327 26.184 93.568    24.001  94.861    34.094  92.298    33.792  167.140 38.795 164.687 38.893 2.453049       54.93394 
1 1 1 14  7  23 o 114.801 31.353 42.898    19.842  71.294    32.808  26.522    24.915  140.310 41.023 94.026  35.754 46.28403       54.41683 
1 1 1 14  7  25 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 14  7  27 o 171.947 29.440 98.272    26.163  115.432   39.465  84.816    34.946  166.751 43.638 142.400 42.523 24.35107       60.93051 
1 1 1 14  7  29 o 112.569 42.915 64.672    35.952  0.0000    0.0000  64.672    35.952  ?       ?      112.569 42.915 0.000000       42.91459 
1 1 1 14  8  0  o 224.687 20.204 138.189   24.078  141.889   34.781  134.784   33.367  225.139 29.527 219.484 29.071 5.655289       41.43629 
1 1 1 14  8  2  o 157.413 18.571 68.132    15.371  67.272    24.534  68.688    19.721  153.296 30.919 156.723 24.254 -3.426376      39.29650 
1 1 1 14  8  4  o 209.540 19.036 120.313   21.152  75.300    28.101  179.163   32.131  161.347 33.578 254.665 23.809 -93.31824      41.16250 
1 1 1 14  8  6  o 114.698 34.894 37.610    23.371  0.0000    0.0000  37.610    23.371  ?       ?      114.698 34.894 0.000000       34.89380 
1 1 1 14  8  8  o 185.941 33.561 100.441   32.226  0.0000    0.0000  100.441   32.226  ?       ?      185.941 33.561 0.000000       33.56131 
1 1 1 14  8  10 o 57.328  21.372 7.0229    8.8056  36.634    22.247  1.5218    9.5887  112.313 34.016 50.508  21.132 61.80521       40.04567 
1 1 1 14  8  12 o 165.072 24.373 77.361    20.922  104.203   29.262  49.292    29.924  189.749 29.742 128.012 39.581 61.73640       49.51038 
1 1 1 14  8  14 o 79.165  28.705 15.561    15.704  33.828    20.784  -8.7408   23.974  107.021 32.970 68.398  30.855 38.62272       45.15604 
1 1 1 14  8  16 o 299.104 21.298 251.770   33.930  291.640   47.382  209.805   48.610  316.526 28.217 262.279 35.480 54.24716       45.33221 
1 1 1 14  8  18 o 186.092 25.885 102.004   25.126  113.934   37.874  92.626    33.580  186.897 39.056 168.809 38.018 18.08784       54.50473 
1 1 1 14  8  20 o 299.119 33.616 281.378   52.975  281.378   52.975  0.0000    0.0000  299.119 33.616 ?       ?      0.000000       33.61555 
1 1 1 14  8  22 o 159.508 40.676 89.488    34.893  89.488    34.893  0.0000    0.0000  159.508 40.676 ?       ?      0.000000       40.67588 
1 1 1 14  8  24 o 177.481 26.276 96.914    24.247  117.671   37.317  81.750    31.897  182.226 39.348 150.917 39.104 31.30884       55.47466 
1 1 1 14  8  26 o 84.891  34.296 21.190    24.137  0.0000    0.0000  21.190    24.137  ?       ?      84.891  34.296 0.000000       34.29563 
1 1 1 14  8  28 o 90.385  36.207 31.076    26.656  0.0000    0.0000  31.076    26.656  ?       ?      90.385  36.207 0.000000       36.20748 
1 1 1 14  9  1  o 180.316 14.946 88.492    14.318  80.378    20.247  96.609    20.252  170.060 22.779 187.276 20.505 -17.21582      30.64907 
1 1 1 14  9  3  o 190.099 15.621 98.496    15.780  101.713   23.042  95.655    21.654  191.437 22.905 185.770 22.180 5.666458       31.88452 
1 1 1 14  9  5  o 376.361 14.085 383.179   28.421  386.997   40.225  379.373   40.161  375.993 20.027 372.194 20.202 3.799622       28.44642 
1 1 1 14  9  7  o 182.121 17.464 91.094    16.843  137.779   31.774  72.849    19.863  220.992 27.405 160.966 23.728 60.02666       36.25023 
1 1 1 14  9  9  o 331.278 14.027 297.547   24.914  409.743   46.983  253.658   29.385  384.541 22.893 304.228 18.098 80.31290       29.18213 
1 1 1 14  9  11 o 158.577 25.467 71.846    20.919  70.962    29.433  72.748    29.736  153.303 36.361 155.249 36.364 -1.945465      51.42434 
1 1 1 14  9  13 o 152.871 26.883 67.859    21.229  62.965    29.653  73.005    30.405  142.618 38.069 153.980 37.239 -11.36147      53.25398 
1 1 1 14  9  15 o 65.212  28.464 -0.9071   18.786  -0.9071   18.786  0.0000    0.0000  65.212  28.464 ?       ?      0.000000       28.46401 
1 1 1 14  9  17 o 91.482  35.898 20.197    25.692  20.197    25.692  0.0000    0.0000  91.482  35.898 ?       ?      0.000000       35.89800 
1 1 1 14  9  19 o 116.594 32.703 43.263    21.272  36.506    31.223  49.115    29.058  108.438 40.280 121.385 39.200 -12.94674      56.20617 
1 1 1 14  9  21 o 170.301 29.798 89.925    26.216  79.423    35.655  102.285   38.679  149.232 42.510 170.230 42.509 -20.99799      60.11751 
1 1 1 14  9  23 o 226.360 23.803 152.628   28.454  172.277   42.879  137.167   38.035  226.510 36.554 201.837 36.493 24.67276       51.65137 
1 1 1 14  9  25 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 14  9  27 o 119.973 40.444 61.761    30.828  0.0000    0.0000  61.761    30.828  ?       ?      119.973 40.444 0.000000       40.44432 
1 1 1 14  10 0  o 178.377 22.697 88.416    21.215  0.0000    0.0000  88.416    21.215  ?       ?      178.377 22.697 0.000000       22.69741 
1 1 1 14  10 2  o 160.419 16.427 70.510    13.928  63.548    20.277  76.731    19.166  149.707 26.219 166.043 22.077 -16.33652      34.27534 
1 1 1 14  10 4  o 232.854 17.541 148.291   21.738  139.490   27.830  162.061   34.812  224.025 23.522 240.150 27.536 -16.12468      36.21494 
1 1 1 14  10 6  o 199.952 16.517 109.422   17.547  108.282   20.965  112.087   32.066  197.955 20.030 197.388 31.349 0.5672302      37.20151 
1 1 1 14  10 8  o 176.161 22.909 87.053    21.124  79.445    34.920  91.444    26.529  161.556 40.417 178.491 28.695 -16.93480      49.56731 
1 1 1 14  10 10 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 14  10 12 o 281.422 31.510 231.544   46.727  231.544   46.727  0.0000    0.0000  281.422 31.510 ?       ?      0.000000       31.51030 
1 1 1 14  10 14 o 78.256  29.385 14.558    16.706  0.0000    21.824  35.161    25.962  70.622  30.756 108.665 37.113 -38.04295      48.20074 
1 1 1 14  10 16 o 81.249  29.657 17.261    16.804  33.955    22.243  -4.9343   25.647  105.323 34.318 71.908  32.219 33.41454       47.07216 
1 1 1 14  10 18 o 199.154 26.898 117.757   27.985  119.700   39.109  115.719   40.061  190.719 39.546 185.843 41.281 4.876602       57.16650 
1 1 1 14  10 20 o 223.151 38.214 163.625   44.074  0.0000    0.0000  163.625   44.074  ?       ?      223.151 38.214 0.000000       38.21351 
1 1 1 14  10 22 o 100.462 41.343 28.464    35.863  0.0000    0.0000  28.464    35.863  ?       ?      100.462 41.343 0.000000       41.34286 
1 1 1 14  10 24 o 83.638  37.494 7.5544    34.781  7.5544    34.781  0.0000    0.0000  83.638  37.494 ?       ?      0.000000       37.49433 
1 1 1 14  10 26 o 224.226 44.914 209.091   52.111  209.091   52.111  0.0000    0.0000  224.226 44.914 ?       ?      0.000000       44.91401 
1 1 1 14  11 1  o 65.937  24.178 9.7734    11.187  4.9674    23.317  11.210    12.750  78.846  32.968 70.370  25.811 8.476685       41.86977 
1 1 1 14  11 3  o 150.142 17.280 62.104    13.656  67.159    19.320  57.056    19.305  154.362 24.136 141.352 26.446 13.00974       35.80387 
1 1 1 14  11 5  f 226.547 16.786 140.439   20.243  142.127   25.535  137.584   33.210  226.536 21.274 219.961 28.857 6.575256       35.85141 
1 1 1 14  11 7  o 156.841 15.796 67.599    13.102  52.196    18.219  84.097    18.855  134.659 26.178 173.729 20.648 -39.07033      33.34122 
1 1 1 14  11 9  o 65.411  27.247 3.8256    15.842  10.020    22.227  -2.5695   22.584  80.867  32.826 70.801  31.048 10.06576       45.18332 
1 1 1 14  11 11 o 229.091 23.290 148.431   28.208  175.945   39.671  120.298   40.116  245.036 30.884 196.837 39.388 48.19890       50.05256 
1 1 1 14  11 13 o 301.611 21.712 256.358   34.875  256.672   48.912  256.034   49.739  294.128 31.508 293.171 32.174 0.9572144      45.03229 
1 1 1 14  11 15 o 167.887 39.825 91.622    35.305  0.0000    0.0000  91.622    35.305  ?       ?      167.887 39.825 0.000000       39.82485 
1 1 1 14  11 17 o 183.891 39.782 110.685   38.081  0.0000    0.0000  110.685   38.081  ?       ?      183.891 39.782 0.000000       39.78160 
1 1 1 14  11 19 o 215.610 27.403 139.003   30.961  114.719   45.630  159.723   42.149  177.889 47.102 222.991 36.520 -45.10167      59.60093 
1 1 1 14  11 21 o 184.128 31.296 107.069   29.789  108.761   43.758  105.607   40.668  169.464 46.676 169.831 44.228 -0.3674622     64.30190 
1 1 1 14  11 23 o 299.733 23.475 268.944   37.423  302.268   54.932  240.084   51.120  300.233 34.771 263.905 37.159 36.32739       50.89014 
1 1 1 14  11 25 o 144.067 48.764 100.184   44.817  100.184   44.817  0.0000    0.0000  144.067 48.764 ?       ?      0.000000       48.76355 
1 1 1 14  12 0  o 97.567  27.407 27.253    14.928  35.779    17.073  -0.4205   30.759  111.188 28.507 84.728  36.706 26.45982       46.47553 
1 1 1 14  12 2  o 389.475 14.465 411.226   30.204  389.249   42.901  432.827   42.531  375.886 21.376 397.066 20.044 -21.18030      29.30368 
1 1 1 14  12 4  o 279.094 16.076 212.658   23.953  167.832   41.478  235.087   29.340  240.814 32.994 292.534 18.807 -51.71954      37.97758 
1 1 1 14  12 6  o 112.616 31.389 37.351    19.661  23.218    30.098  47.871    25.967  101.384 39.112 126.346 36.370 -24.96154      53.40887 
1 1 1 14  12 8  o 262.894 16.137 189.611   22.634  252.916   44.174  167.075   26.357  297.295 28.046 245.097 20.239 52.19797       34.58608 
1 1 1 14  12 10 o 171.717 39.379 92.447    35.481  0.0000    0.0000  92.447    35.481  ?       ?      171.717 39.379 0.000000       39.37920 
1 1 1 14  12 12 o 214.191 36.110 140.905   39.992  0.0000    0.0000  140.905   39.992  ?       ?      214.191 36.110 0.000000       36.11000 
1 1 1 14  12 14 o 191.888 24.993 106.595   25.102  79.464    33.988  139.151   37.232  156.410 40.286 213.761 33.596 -57.35100      52.45589 
1 1 1 14  12 16 o 117.353 32.425 42.839    21.079  30.771    28.096  58.376    31.880  103.528 38.259 133.011 40.810 -29.48240      55.93877 
1 1 1 14  12 18 f 127.017 35.880 52.450    25.511  66.978    35.580  37.080    36.597  138.845 43.198 110.992 43.042 27.85266       60.98104 
1 1 1 14  12 20 o 162.449 33.154 84.911    27.898  67.343    39.598  102.226   39.311  134.120 45.834 168.747 43.251 -34.62770      63.01943 
1 1 1 14  12 22 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 14  13 1  o 144.664 22.577 59.061    16.939  59.073    35.016  59.058    19.354  139.558 42.762 143.523 26.114 -3.965851      50.10461 
1 1 1 14  13 3  o 183.993 18.715 93.724    18.204  85.568    31.228  97.922    22.405  169.125 35.568 186.701 22.861 -17.57544      42.28138 
1 1 1 14  13 5  o 144.244 20.380 58.465    15.322  41.166    26.505  67.146    18.776  117.770 37.376 153.668 23.541 -35.89773      44.17184 
1 1 1 14  13 7  o 157.171 16.673 68.387    13.835  55.478    20.702  78.806    18.598  137.078 29.070 167.305 21.210 -30.22752      35.98544 
1 1 1 14  13 9  o 146.054 20.220 60.198    15.408  60.585    29.217  60.049    18.135  139.309 38.045 144.340 24.298 -5.030380      45.14245 
1 1 1 14  13 11 o 66.829  28.244 3.2287    17.407  -2.2396   23.038  10.505    26.574  70.938  31.227 85.329  35.395 -14.39104      47.20082 
1 1 1 14  13 13 o 184.508 28.277 100.246   27.080  65.755    39.417  131.078   37.268  140.744 45.676 207.047 34.808 -66.30255      57.42721 
1 1 1 14  13 15 o 88.428  32.201 21.023    19.793  10.472    26.065  35.394    30.420  83.742  34.922 109.331 39.904 -25.58870      53.02647 
1 1 1 14  13 17 o 138.751 45.097 67.637    38.419  67.637    38.419  0.0000    0.0000  138.751 45.097 ?       ?      0.000000       45.09727 
1 1 1 14  13 19 f 105.256 36.007 35.779    24.438  46.051    32.248  21.923    37.455  116.094 41.249 98.165  41.455 17.92856       58.48077 
1 1 1 14  13 21 o 152.772 36.413 80.600    29.402  89.168    40.211  70.756    43.101  149.805 45.811 130.979 47.545 18.82558       66.02377 
1 1 1 14  14 0  o 213.712 18.201 126.002   20.656  117.225   39.456  129.315   24.244  196.785 38.777 215.432 21.268 -18.64693      44.22637 
1 1 1 14  14 2  o 466.201 15.322 592.308   38.297  598.970   55.437  586.226   52.968  464.618 22.255 460.190 21.469 4.428040       30.92248 
1 1 1 14  14 4  o 270.132 23.549 205.065   33.764  205.065   33.764  0.0000    0.0000  270.132 23.549 ?       ?      0.000000       23.54872 
1 1 1 14  14 6  o 214.656 15.659 126.536   17.896  122.727   26.849  129.581   24.007  207.838 24.570 215.199 21.078 -7.360626      32.37295 
1 1 1 14  14 8  o 198.063 14.754 107.621   15.555  98.148    22.098  116.924   21.900  186.249 22.593 204.497 20.240 -18.24792      30.33347 
1 1 1 14  14 10 o 157.512 23.142 70.917    18.960  101.273   31.747  54.086    23.639  183.295 33.542 133.209 33.214 50.08531       47.20391 
1 1 1 14  14 12 o 228.904 38.733 163.525   45.838  163.525   45.838  0.0000    0.0000  228.904 38.733 ?       ?      0.000000       38.73295 
1 1 1 14  14 14 o 301.266 23.522 259.478   37.691  257.054   54.118  261.762   52.523  288.642 35.735 292.984 34.074 -4.342682      49.37649 
1 1 1 14  14 16 o 146.676 43.929 74.946    37.254  0.0000    0.0000  74.946    37.254  ?       ?      146.676 43.929 0.000000       43.92862 
1 1 1 14  14 18 o 93.340  35.728 24.622    24.982  3.8837    36.585  42.739    34.194  86.834  38.724 113.135 42.128 -26.30071      57.22141 
1 1 1 14  15 1  o 332.385 24.065 309.645   42.594  309.645   42.594  0.0000    0.0000  332.385 24.065 ?       ?      0.000000       24.06463 
1 1 1 14  15 3  o 239.443 22.820 160.763   28.940  151.438   45.146  167.269   37.706  223.321 39.134 240.651 29.867 -17.33066      49.22889 
1 1 1 14  15 5  o 340.889 20.251 322.227   36.844  427.860   56.526  244.195   48.583  387.835 27.361 289.557 31.820 98.27765       41.96564 
1 1 1 14  15 7  o 83.545  24.627 20.025    11.780  0.1592    18.801  32.866    15.116  66.650  28.786 105.744 26.667 -39.09380      39.23982 
1 1 1 14  15 9  o 245.830 34.514 181.220   44.236  0.0000    0.0000  181.220   44.236  ?       ?      245.830 34.514 0.000000       34.51431 
1 1 1 14  15 11 o 155.846 16.885 67.634    13.882  61.829    20.763  72.328    18.668  144.517 27.807 159.025 22.526 -14.50798      35.78630 
1 1 1 14  15 13 o 168.020 28.776 84.344    24.990  130.502   39.556  53.686    32.237  203.109 37.714 128.300 41.273 74.80930       55.90922 
1 1 1 14  15 15 o 106.934 36.171 35.767    24.659  47.422    35.633  25.056    34.159  119.981 43.279 100.611 40.745 19.36998       59.44149 
1 1 1 14  15 17 o 78.410  35.290 -1.9824   31.150  0.0000    0.0000  -1.9824   31.150  ?       ?      78.410  35.290 0.000000       35.28999 
1 1 1 14  16 0  o 151.177 21.881 64.454    17.219  62.959    27.807  65.383    21.928  144.242 36.056 149.962 28.312 -5.720596      45.84353 
1 1 1 14  16 2  o 148.781 25.917 63.734    19.922  55.445    27.899  72.356    28.456  134.885 37.319 154.926 35.075 -20.04062      51.21511 
1 1 1 14  16 4  o 234.053 16.435 150.555   20.493  193.759   33.101  123.706   26.094  262.319 23.796 209.242 23.678 53.07683       33.56877 
1 1 1 14  16 6  o 309.736 21.542 268.080   35.549  0.0000    0.0000  268.080   35.549  ?       ?      309.736 21.542 0.000000       21.54172 
1 1 1 14  16 8  o 135.324 22.280 52.432    15.602  72.521    24.437  38.609    20.270  156.027 30.305 113.102 31.995 42.92522       44.06926 
1 1 1 14  16 10 o 132.040 39.378 55.670    29.983  0.0000    0.0000  55.670    29.983  ?       ?      132.040 39.378 0.000000       39.37823 
1 1 1 14  16 12 o 153.171 39.663 76.821    32.828  0.0000    0.0000  76.821    32.828  ?       ?      153.171 39.663 0.000000       39.66284 
1 1 1 14  16 14 o 152.899 38.422 77.540    31.458  0.0000    0.0000  77.540    31.458  ?       ?      152.899 38.422 0.000000       38.42241 
1 1 1 14  17 1  o 128.114 26.337 47.776    17.485  41.062    43.557  49.065    19.091  123.652 47.213 129.192 28.342 -5.539116      55.06668 
1 1 1 14  17 3  o 56.507  26.455 -17.5487  20.056  -21.5103  37.834  -16.0005  23.652  80.420  37.202 63.557  29.405 16.86344       47.41977 
1 1 1 14  17 5  o 77.063  29.274 13.282    16.692  0.0000    0.0000  13.282    16.692  ?       ?      77.063  29.274 0.000000       29.27397 
1 1 1 14  17 7  o 89.452  32.312 21.175    19.872  0.0000    0.0000  21.175    19.872  ?       ?      89.452  32.312 0.000000       32.31216 
1 1 1 14  17 9  o 98.619  35.063 27.639    23.305  0.0000    0.0000  27.639    23.305  ?       ?      98.619  35.063 0.000000       35.06251 
1 1 1 14  18 0  o 84.997  30.713 18.425    17.956  0.0000    0.0000  18.425    17.956  ?       ?      84.997  30.713 0.000000       30.71274 
1 1 1 14  18 2  o 114.298 37.141 39.229    26.060  117.596   50.841  11.302    30.350  186.695 49.855 90.316  37.675 96.37900       62.48898 
1 1 1 14  18 4  o 195.758 29.261 112.716   29.767  145.190   55.613  99.676    35.240  205.970 50.703 178.684 37.958 27.28613       63.33670 
1 1 1 15  0  1  o 335.017 20.167 305.686   35.921  305.686   35.921  305.686   35.921  335.017 20.167 335.017 20.167 0.000000       0.000000 
1 1 1 15  0  3  o 826.794 25.699 1855.49   113.666 1855.49   113.666 1855.49   113.666 826.794 25.699 826.794 25.699 0.000000       0.000000 
1 1 1 15  0  5  o 457.703 29.672 576.867   72.110  576.867   72.110  576.867   72.110  457.703 29.672 457.703 29.672 0.000000       0.000000 
1 1 1 15  0  7  o 215.408 30.797 133.850   33.460  133.850   33.460  133.850   33.460  215.408 30.797 215.408 30.797 0.000000       0.000000 
1 1 1 15  0  9  o 387.091 28.996 415.820   59.400  415.820   59.400  415.820   59.400  387.091 28.996 387.091 28.996 0.000000       0.000000 
1 1 1 15  0  11 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 15  0  13 o 124.901 40.215 54.563    23.774  54.563    23.774  54.563    23.774  124.901 40.215 124.901 40.215 0.000000       0.000000 
1 1 1 15  0  15 o 244.542 29.813 171.707   37.535  171.707   37.535  171.707   37.535  244.542 29.813 244.542 29.813 0.000000       0.000000 
1 1 1 15  0  17 o 127.660 26.880 50.015    16.195  50.015    16.195  50.015    16.195  127.660 26.880 127.660 26.880 0.000000       0.000000 
1 1 1 15  0  19 o 199.600 34.574 120.922   33.670  120.922   33.670  120.922   33.670  199.600 34.574 199.600 34.574 0.000000       0.000000 
1 1 1 15  0  21 o 281.097 21.073 220.482   31.348  220.482   31.348  220.482   31.348  281.097 21.073 281.097 21.073 0.000000       0.000000 
1 1 1 15  0  23 o 62.101  32.955 16.079    14.778  16.079    14.778  16.079    14.778  62.101  32.955 62.101  32.955 0.000000       0.000000 
1 1 1 15  0  25 o 140.456 42.306 70.044    27.775  70.044    27.775  70.044    27.775  140.456 42.306 140.456 42.306 0.000000       0.000000 
1 1 1 15  0  27 o 51.425  32.542 5.0036    19.277  5.0036    19.277  5.0036    19.277  51.425  32.542 51.425  32.542 0.000000       0.000000 
1 1 1 15  0  29 o 119.050 42.336 54.968    24.623  54.968    24.623  54.968    24.623  119.050 42.336 119.050 42.336 0.000000       0.000000 
1 1 1 15  1  0  o 465.794 14.603 584.431   36.469  592.093   51.545  576.751   51.604  467.729 20.555 461.565 20.854 6.164093       29.28115 
1 1 1 15  1  2  o 377.717 16.422 385.143   33.256  392.400   41.155  371.490   56.452  380.040 20.272 367.216 28.907 12.82501       35.30699 
1 1 1 15  1  4  o 507.757 17.149 697.300   46.683  727.761   81.094  682.203   57.092  513.469 29.583 501.041 21.253 12.42783       36.42619 
1 1 1 15  1  6  o 419.667 16.706 476.912   37.587  475.466   64.873  477.643   46.116  413.734 29.438 418.915 20.533 -5.180817      35.89202 
1 1 1 15  1  8  o 391.286 16.284 415.152   34.161  406.088   59.514  419.606   41.718  381.140 29.351 391.792 19.927 -10.65149      35.47573 
1 1 1 15  1  10 o 319.978 28.552 287.993   48.467  287.993   48.467  0.0000    0.0000  319.978 28.552 ?       ?      0.000000       28.55232 
1 1 1 15  1  12 o 124.016 16.502 42.620    10.700  43.414    14.784  41.746    15.506  123.379 23.201 120.483 24.830 2.895317       33.98265 
1 1 1 15  1  14 o 158.369 14.761 68.876    12.388  75.656    17.383  61.878    17.659  164.438 20.139 147.500 23.089 16.93819       30.63745 
1 1 1 15  1  16 o 249.904 13.998 170.845   18.680  166.350   26.658  175.182   26.183  243.768 20.590 250.667 19.640 -6.899078      28.45502 
1 1 1 15  1  18 o 191.261 15.039 101.126   15.297  91.122    20.577  113.483   22.870  178.469 21.969 199.529 21.731 -21.06044      30.90088 
1 1 1 15  1  20 o 179.950 18.552 92.000    17.641  120.915   30.060  76.808    21.788  199.111 29.012 159.829 26.345 39.28200       39.18870 
1 1 1 15  1  22 o 156.816 24.665 74.218    20.052  0.0000    0.0000  74.218    20.052  ?       ?      156.816 24.665 0.000000       24.66478 
1 1 1 15  1  24 o 172.215 16.836 84.703    15.346  104.278   21.425  64.080    21.991  187.620 21.700 140.513 30.098 47.10693       37.10497 
1 1 1 15  1  26 o 82.396  26.269 21.640    13.082  28.578    17.081  11.797    20.345  92.368  30.072 73.832  30.826 18.53558       43.06501 
1 1 1 15  1  28 o 151.794 21.450 71.295    16.970  79.527    25.173  64.438    22.975  148.281 32.557 132.870 32.517 15.41084       46.01424 
1 1 1 15  1  30 o 145.042 35.346 87.078    27.235  87.078    27.235  0.0000    0.0000  145.042 35.346 ?       ?      0.000000       35.34642 
1 1 1 15  2  1  o 358.419 20.049 348.929   38.372  0.0000    0.0000  348.929   38.372  ?       ?      358.419 20.049 0.000000       20.04924 
1 1 1 15  2  3  o 533.155 21.228 771.938   60.679  0.0000    0.0000  771.938   60.679  ?       ?      533.155 21.228 0.000000       21.22812 
1 1 1 15  2  5  o 468.857 16.456 594.755   41.365  0.0000    0.0000  594.755   41.365  ?       ?      468.857 16.456 0.000000       16.45591 
1 1 1 15  2  7  o 494.360 17.058 662.915   45.210  0.0000    0.0000  662.915   45.210  ?       ?      494.360 17.058 0.000000       17.05753 
1 1 1 15  2  9  o 297.185 16.343 240.505   25.940  0.0000    0.0000  240.505   25.940  ?       ?      297.185 16.343 0.000000       16.34324 
1 1 1 15  2  11 o 260.586 28.275 192.303   38.869  0.0000    0.0000  192.303   38.869  ?       ?      260.586 28.275 0.000000       28.27546 
1 1 1 15  2  13 f 274.590 19.651 208.447   28.738  0.0000    0.0000  208.447   28.738  ?       ?      274.590 19.651 0.000000       19.65104 
1 1 1 15  2  15 o 277.560 16.023 211.511   23.742  271.562   42.182  183.664   28.725  309.153 25.682 256.357 21.086 52.79578       33.22990 
1 1 1 15  2  17 o 130.669 17.943 48.047    12.239  60.960    16.574  32.562    18.149  145.939 21.855 104.004 30.541 41.93539       37.55547 
1 1 1 15  2  19 o 157.236 16.119 69.178    13.396  70.439    18.280  67.716    19.688  155.684 22.559 151.218 25.169 4.465729       33.79876 
1 1 1 15  2  21 o 183.458 15.398 94.327    15.005  78.859    20.919  110.717   21.534  162.149 24.856 195.453 20.872 -33.30388      32.45763 
1 1 1 15  2  23 o 95.027  26.680 28.398    14.151  27.475    26.074  28.784    16.847  94.551  36.424 94.799  29.763 -0.2484665     47.03815 
1 1 1 15  2  25 o 222.238 16.263 140.693   19.243  129.285   25.219  156.591   29.770  206.962 23.123 225.865 25.004 -18.90297      34.05732 
1 1 1 15  2  27 o 114.296 35.754 49.757    24.337  21.325    34.714  77.238    34.129  87.585  38.448 134.215 42.392 -46.63055      57.23114 
1 1 1 15  2  29 o 193.088 20.988 116.393   21.377  118.317   29.155  114.157   31.436  180.564 31.249 170.813 35.486 9.750732       47.28363 
1 1 1 15  3  0  o 543.543 17.478 798.146   50.932  781.107   88.283  806.646   62.355  532.443 31.062 545.399 21.325 -12.95581      37.67714 
1 1 1 15  3  2  o 463.849 16.886 581.487   41.993  608.786   73.172  568.080   51.278  469.995 29.183 457.481 20.907 12.51471       35.89906 
1 1 1 15  3  4  o 463.435 14.482 579.759   35.981  557.823   72.421  586.949   41.460  448.422 30.302 465.791 16.602 -17.36880      34.55171 
1 1 1 15  3  6  o 353.582 20.096 341.495   37.938  374.042   53.702  309.068   53.603  367.200 27.477 332.328 30.423 34.87247       40.99437 
1 1 1 15  3  8  o 221.707 16.829 134.216   19.854  108.733   34.059  147.331   24.435  193.900 34.003 231.538 19.877 -37.63837      39.38629 
1 1 1 15  3  10 o 291.491 16.273 231.734   25.329  252.281   44.671  221.998   30.750  299.231 28.177 283.920 20.336 15.31052       34.74905 
1 1 1 15  3  12 o 109.397 19.023 33.710    10.752  20.504    23.786  37.102    12.054  93.429  35.068 114.537 20.377 -21.10786      40.55799 
1 1 1 15  3  14 o 250.676 28.785 180.933   37.984  0.0000    0.0000  180.933   37.984  ?       ?      250.676 28.785 0.000000       28.78534 
1 1 1 15  3  16 o 260.933 16.494 187.815   22.956  197.145   38.717  182.757   28.508  260.576 28.161 255.155 21.027 5.421082       35.14525 
1 1 1 15  3  18 o 199.296 14.915 109.841   15.821  108.237   22.273  111.475   22.477  194.565 21.723 197.566 21.571 -3.000977      30.61381 
1 1 1 15  3  20 o 76.833  24.347 17.314    11.250  18.613    13.149  13.768    21.731  79.784  26.405 80.437  32.526 -0.6537399     41.89437 
1 1 1 15  3  22 o 224.613 21.305 147.148   25.349  147.148   25.349  0.0000    0.0000  224.613 21.305 ?       ?      0.000000       21.30533 
1 1 1 15  3  24 o 124.367 20.829 45.985    13.397  38.224    18.135  55.309    19.878  107.802 30.181 131.023 29.059 -23.22045      41.89651 
1 1 1 15  3  26 o 102.986 24.729 33.758    13.482  36.881    18.072  29.839    20.244  103.857 30.470 93.242  32.725 10.61456       44.71435 
1 1 1 15  3  28 o 141.900 23.196 63.969    17.037  65.642    22.154  61.546    26.653  135.409 31.164 122.765 37.244 12.64395       48.56226 
1 1 1 15  4  1  o 188.583 17.913 97.076    17.894  127.228   31.825  83.139    21.638  213.568 28.507 173.095 23.958 40.47232       37.23748 
1 1 1 15  4  3  o 395.918 14.197 423.032   30.135  398.035   60.469  431.292   34.759  378.579 30.039 399.353 16.234 -20.77466      34.14529 
1 1 1 15  4  5  o 423.211 16.616 485.241   37.701  491.931   65.538  481.932   46.090  420.581 29.247 420.630 20.438 -0.4907227E-01 35.68045 
1 1 1 15  4  7  o 126.594 17.263 44.300    11.411  32.558    23.592  47.886    13.038  108.389 35.345 131.293 19.081 -22.90391      40.16617 
1 1 1 15  4  9  o 177.021 14.584 85.490    13.718  98.604    28.961  81.697    15.577  185.387 30.176 172.464 17.070 12.92368       34.67010 
1 1 1 15  4  11 o 144.365 16.003 57.405    12.178  81.327    27.265  51.444    13.611  166.803 31.646 135.746 19.241 31.05664       37.03602 
1 1 1 15  4  13 o 173.536 15.384 82.710    14.164  77.162    29.144  84.426    16.207  160.160 34.925 174.725 17.538 -14.56540      39.08118 
1 1 1 15  4  15 o 149.211 22.931 63.625    17.757  69.768    26.810  58.824    23.700  151.475 33.864 139.512 32.320 11.96274       46.81140 
1 1 1 15  4  17 o 239.530 30.898 171.615   38.754  171.615   38.754  0.0000    0.0000  239.530 30.898 ?       ?      0.000000       30.89826 
1 1 1 15  4  19 o 224.042 14.587 139.092   17.426  127.004   24.213  152.080   25.098  209.868 21.839 230.745 20.502 -20.87654      29.95478 
1 1 1 15  4  21 o 349.778 16.054 342.117   30.105  252.651   49.264  395.444   38.034  281.067 33.342 372.459 19.111 -91.39209      38.43113 
1 1 1 15  4  23 o 233.599 14.816 152.858   18.459  139.685   25.081  168.424   27.265  217.967 21.753 239.782 21.435 -21.81517      30.53959 
1 1 1 15  4  25 o 211.556 18.404 129.825   20.666  122.485   25.047  145.477   36.578  200.572 23.754 206.598 34.221 -6.025711      41.65716 
1 1 1 15  4  27 o 85.689  29.333 24.904    16.219  29.249    20.581  17.783    26.347  90.682  32.863 81.048  34.521 9.633934       47.66240 
1 1 1 15  4  29 o 182.144 32.505 124.259   30.578  143.467   46.859  110.013   40.354  158.768 49.604 143.138 46.192 15.63068       67.78049 
1 1 1 15  5  0  f 298.512 20.377 243.018   32.416  173.476   45.879  312.345   45.808  247.355 35.623 337.055 25.539 -89.70044      43.83232 
1 1 1 15  5  2  o 242.662 30.761 165.293   39.121  165.293   39.121  0.0000    0.0000  242.662 30.761 ?       ?      0.000000       30.76088 
1 1 1 15  5  4  o 231.638 16.754 146.132   20.666  150.272   36.357  144.155   25.119  231.020 30.066 229.120 20.671 1.900818       36.48655 
1 1 1 15  5  6  f 420.591 15.712 479.370   35.429  538.079   63.038  452.262   42.835  440.339 26.830 407.300 19.616 33.03870       33.23618 
1 1 1 15  5  8  o 178.475 21.208 88.479    19.896  83.532    30.208  92.269    26.441  168.797 34.544 179.968 28.342 -11.17056      44.68271 
1 1 1 15  5  10 o 183.865 20.013 93.780    19.410  122.296   30.250  73.823    25.306  207.259 27.935 159.223 30.758 48.03592       41.55017 
1 1 1 15  5  12 o 204.948 14.625 114.808   15.964  107.910   33.388  116.852   18.176  191.023 33.840 206.213 16.581 -15.18961      37.68395 
1 1 1 15  5  14 o 227.571 13.978 141.557   16.971  171.663   36.004  132.957   19.243  244.027 28.029 219.703 16.456 24.32329       32.50246 
1 1 1 15  5  16 o 73.318  23.485 15.067    10.446  11.584    20.611  16.270    12.117  79.171  31.795 76.555  25.348 2.615837       40.66248 
1 1 1 15  5  18 o 142.180 16.678 56.824    12.472  57.843    25.988  56.519    14.216  133.763 35.608 140.696 19.359 -6.933426      40.53006 
1 1 1 15  5  20 o 167.723 19.876 80.965    17.525  54.724    29.621  95.097    21.738  125.812 39.459 179.897 23.070 -54.08502      45.70816 
1 1 1 15  5  22 f 101.395 24.662 31.565    13.278  30.701    19.190  32.358    18.391  97.826  31.876 100.279 31.034 -2.453308      44.48819 
1 1 1 15  5  24 o 248.104 18.112 176.914   23.926  162.126   41.439  184.309   29.304  216.377 37.054 249.188 22.166 -32.81013      43.17767 
1 1 1 15  5  26 o 139.582 25.419 61.926    18.321  8.5047    31.196  90.052    22.636  79.213  35.510 168.345 25.911 -89.13210      43.95847 
1 1 1 15  5  28 o 62.226  27.553 3.9076    18.193  -48.9057  33.212  26.551    21.747  56.548  28.114 85.186  33.139 -28.63804      43.45758 
1 1 1 15  6  1  o 194.625 22.277 104.620   22.826  127.126   32.540  82.816    32.028  212.702 29.314 168.827 36.452 43.87541       46.77654 
1 1 1 15  6  3  o 254.367 14.127 175.343   19.189  242.305   39.320  154.408   21.985  296.027 25.009 237.976 17.351 58.05055       30.43883 
1 1 1 15  6  5  o 497.056 14.549 668.538   38.771  735.659   78.786  647.089   44.537  513.802 28.716 488.180 17.016 25.62158       33.37901 
1 1 1 15  6  7  f 292.342 15.533 232.524   24.258  266.767   43.310  216.871   29.281  309.057 26.391 281.088 19.552 27.96887       32.84476 
1 1 1 15  6  9  o 262.693 13.695 187.486   19.221  273.838   40.870  162.963   21.780  313.343 24.524 244.038 16.748 69.30431       29.69711 
1 1 1 15  6  11 o 239.515 13.949 156.284   17.834  168.450   37.291  152.677   20.307  242.393 29.290 236.088 16.140 6.305176       33.44227 
1 1 1 15  6  13 o 145.150 19.187 59.026    14.565  86.553    26.371  46.941    17.472  171.842 29.698 126.751 26.561 45.09099       39.84271 
1 1 1 15  6  15 o 307.269 20.999 264.970   34.386  275.497   48.651  254.463   48.608  306.405 30.001 293.200 31.411 13.20544       43.43637 
1 1 1 15  6  17 o 209.609 20.629 124.914   22.882  0.0000    0.0000  124.914   22.882  ?       ?      209.609 20.629 0.000000       20.62888 
1 1 1 15  6  19 o 208.276 15.809 121.177   17.521  183.918   32.445  95.348    20.817  250.214 24.501 181.295 21.858 68.91939       32.83384 
1 1 1 15  6  21 o 152.836 24.684 70.101    19.537  0.0000    0.0000  70.101    19.537  ?       ?      152.836 24.684 0.000000       24.68362 
1 1 1 15  6  23 o 77.354  30.502 14.949    18.633  60.900    29.309  -16.2231  24.140  129.863 38.979 61.034  28.717 68.82904       48.41560 
1 1 1 15  6  25 o 70.826  27.719 12.945    15.286  14.124    33.912  12.644    17.125  85.431  37.733 72.080  28.969 13.35169       47.57080 
1 1 1 15  6  27 f 130.871 34.883 65.079    24.920  77.742    37.674  55.228    33.228  126.827 44.635 110.525 41.455 16.30181       60.91595 
1 1 1 15  7  0  o 289.326 20.395 229.016   31.434  0.0000    0.0000  229.016   31.434  ?       ?      289.326 20.395 0.000000       20.39543 
1 1 1 15  7  2  o 256.612 16.331 179.158   22.351  126.200   38.150  206.836   27.580  209.242 35.261 275.161 18.808 -65.91841      39.96411 
1 1 1 15  7  4  o 394.855 20.437 426.953   43.115  0.0000    0.0000  426.953   43.115  ?       ?      394.855 20.437 0.000000       20.43683 
1 1 1 15  7  6  o 290.113 19.347 230.872   29.919  0.0000    0.0000  230.872   29.919  ?       ?      290.113 19.347 0.000000       19.34695 
1 1 1 15  7  8  o 340.780 19.754 319.264   35.937  0.0000    0.0000  319.264   35.937  ?       ?      340.780 19.754 0.000000       19.75422 
1 1 1 15  7  10 o 211.873 21.242 125.003   23.805  0.0000    0.0000  125.003   23.805  ?       ?      211.873 21.242 0.000000       21.24228 
1 1 1 15  7  12 o 87.799  26.524 22.091    13.539  0.0000    0.0000  22.091    13.539  ?       ?      87.799  26.524 0.000000       26.52441 
1 1 1 15  7  14 o 74.560  28.206 12.632    15.456  -25.8593  22.357  47.868    21.391  56.006  26.722 125.487 31.766 -69.48159      41.51070 
1 1 1 15  7  16 o 247.121 21.947 174.065   28.775  133.601   40.559  215.074   40.831  204.311 38.438 269.437 28.708 -65.12524      47.97502 
1 1 1 15  7  18 o 121.046 32.074 46.480    21.149  48.156    32.258  45.217    28.008  119.812 41.352 117.115 38.527 2.697914       56.51796 
1 1 1 15  7  20 o 317.227 21.999 291.084   37.184  299.154   53.485  283.535   51.732  308.319 32.863 300.407 32.645 7.911224       46.32181 
1 1 1 15  7  22 o 69.694  30.965 -0.0005   23.171  0.0000    0.0000  -0.0005   23.171  ?       ?      69.694  30.965 0.000000       30.96539 
1 1 1 15  7  24 o 152.143 45.171 94.560    39.518  94.560    39.518  0.0000    0.0000  152.143 45.171 ?       ?      0.000000       45.17053 
1 1 1 15  7  26 o 149.548 33.993 80.752    26.636  71.740    41.426  87.104    34.779  121.291 46.107 143.243 42.339 -21.95219      62.59798 
1 1 1 15  8  1  o 270.892 14.341 199.006   20.754  213.307   29.188  184.381   29.517  279.110 19.631 258.856 21.462 20.25421       29.08593 
1 1 1 15  8  3  f 297.656 14.280 239.779   22.788  237.481   32.380  242.034   32.077  294.022 20.672 296.978 20.267 -2.955383      28.95028 
1 1 1 15  8  5  o 228.661 21.175 144.536   25.664  128.755   36.450  160.051   36.141  211.069 33.316 237.737 28.953 -26.66748      44.13927 
1 1 1 15  8  7  o 176.855 14.749 85.456    13.857  82.308    28.892  86.396    15.792  167.452 33.354 177.338 16.810 -9.886002      37.35053 
1 1 1 15  8  9  o 114.119 20.419 36.855    12.034  44.189    25.821  34.819    13.602  121.882 36.587 109.996 23.760 11.88648       43.62542 
1 1 1 15  8  11 o 82.514  23.088 19.558    10.615  29.349    22.428  16.732    12.051  101.955 34.496 77.894  25.253 24.06021       42.75190 
1 1 1 15  8  13 o 120.848 28.994 43.716    18.545  59.116    26.766  29.499    25.718  137.930 35.862 102.700 36.799 35.23068       51.38309 
1 1 1 15  8  15 o 189.563 23.287 103.471   23.170  106.437   32.437  100.380   33.107  185.645 33.837 178.793 35.787 6.851273       49.25042 
1 1 1 15  8  17 o 309.575 21.548 273.696   35.541  243.515   50.506  303.302   50.023  279.186 34.475 317.445 29.738 -38.25900      45.52888 
1 1 1 15  8  19 o 177.506 40.205 106.869   37.374  106.869   37.374  0.0000    0.0000  177.506 40.205 ?       ?      0.000000       40.20462 
1 1 1 15  8  21 o 86.268  37.487 10.374    32.275  10.374    32.275  0.0000    0.0000  86.268  37.487 ?       ?      0.000000       37.48651 
1 1 1 15  8  23 o 75.451  33.232 5.0639    26.123  0.0000    0.0000  5.0639    26.123  ?       ?      75.451  33.232 0.000000       33.23167 
1 1 1 15  8  25 o 163.156 33.346 93.058    28.184  98.056    38.823  87.489    40.981  150.973 44.760 137.893 46.630 13.07925       64.63628 
1 1 1 15  9  0  o 133.424 20.193 49.638    13.993  55.566    26.002  47.221    16.602  137.570 35.131 128.869 24.931 8.700790       43.07837 
1 1 1 15  9  2  f 317.389 16.601 274.383   28.150  232.525   49.165  294.797   34.335  285.604 32.698 328.002 19.615 -42.39832      38.12989 
1 1 1 15  9  4  o 306.388 14.225 254.330   23.367  256.314   33.427  252.434   32.677  305.193 20.549 302.982 20.233 2.210449       28.83829 
1 1 1 15  9  6  f 249.216 16.801 169.959   22.317  154.823   39.457  177.078   27.062  231.366 32.722 253.313 20.092 -21.94693      38.39814 
1 1 1 15  9  8  o 110.816 18.503 34.506    10.605  74.389    28.547  28.120    11.423  157.773 34.693 98.994  22.084 58.77897       41.12589 
1 1 1 15  9  10 o 239.786 18.518 159.078   23.622  233.125   37.922  112.133   30.195  287.184 24.876 196.236 29.623 90.94807       38.68187 
1 1 1 15  9  12 o 79.572  33.305 7.4401    23.830  7.4401    23.830  0.0000    0.0000  79.572  33.305 ?       ?      0.000000       33.30457 
1 1 1 15  9  14 f 258.824 32.371 202.303   43.937  202.303   43.937  0.0000    0.0000  258.824 32.371 ?       ?      0.000000       32.37084 
1 1 1 15  9  16 f 100.139 30.906 30.652    18.254  21.974    24.085  42.367    27.982  91.822  35.096 115.079 38.533 -23.25694      52.12066 
1 1 1 15  9  18 o 257.209 23.672 192.232   32.276  190.289   48.402  193.788   43.312  241.430 38.701 249.395 33.219 -7.964111      51.00302 
1 1 1 15  9  20 o 257.585 24.989 196.707   34.076  226.908   49.482  169.465   46.995  264.306 35.844 222.400 40.922 41.90672       54.40052 
1 1 1 15  9  22 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 15  9  24 o 144.778 46.749 92.796    41.328  0.0000    0.0000  92.796    41.328  ?       ?      144.778 46.749 0.000000       46.74868 
1 1 1 15  10 1  o 351.486 20.809 339.574   39.039  346.966   55.087  332.117   55.333  350.972 29.551 342.845 30.419 8.127441       42.40938 
1 1 1 15  10 3  o 221.437 18.496 134.788   21.758  159.347   27.573  94.259    35.420  239.833 21.678 177.596 38.325 62.23598       44.03097 
1 1 1 15  10 5  o 252.550 16.658 174.566   22.428  156.132   27.822  208.777   37.903  236.895 22.164 272.326 26.287 -35.43134      34.38390 
1 1 1 15  10 7  o 212.425 17.720 124.365   19.996  134.574   38.345  120.551   23.435  213.333 34.720 207.856 21.332 5.477127       40.74952 
1 1 1 15  10 9  o 160.637 19.221 72.137    16.225  68.664    32.381  73.301    18.748  148.134 39.886 160.821 22.348 -12.68669      45.71949 
1 1 1 15  10 11 o 66.485  27.189 6.0258    15.390  17.428    22.962  -3.2746   20.738  87.897  34.091 66.640  29.466 21.25688       45.06082 
1 1 1 15  10 13 o 199.899 24.681 115.477   25.889  89.302    36.608  141.665   36.618  165.006 41.439 216.278 32.592 -51.27209      52.71975 
1 1 1 15  10 15 o 296.094 22.174 249.813   34.944  246.713   48.458  253.172   50.438  285.175 32.262 287.855 33.297 -2.679993      46.36267 
1 1 1 15  10 17 o 61.258  26.487 0.8261    15.954  11.700    20.540  -15.7099  25.330  78.071  31.603 64.751  30.120 13.32021       43.65789 
1 1 1 15  10 19 o 172.282 41.218 102.654   37.561  0.0000    0.0000  102.654   37.561  ?       ?      172.282 41.218 0.000000       41.21790 
1 1 1 15  10 21 o 130.442 35.935 58.461    25.933  50.424    36.960  66.254    36.396  116.952 43.749 131.684 43.947 -14.73207      62.01078 
1 1 1 15  10 23 o 126.005 44.357 66.570    37.209  66.570    37.209  0.0000    0.0000  126.005 44.357 ?       ?      0.000000       44.35717 
1 1 1 15  11 0  o 340.300 14.389 313.943   26.253  326.635   37.148  301.279   37.107  344.698 20.189 330.649 21.042 14.04950       29.16088 
1 1 1 15  11 2  o 206.023 15.878 116.118   17.403  115.349   25.087  116.832   24.163  202.955 23.490 204.667 22.386 -1.712204      32.44813 
1 1 1 15  11 4  o 181.135 16.481 90.193    15.830  116.269   23.868  69.716    21.151  203.953 22.186 155.985 26.222 47.96831       34.34898 
1 1 1 15  11 6  o 250.067 13.900 170.508   18.562  125.287   26.325  215.222   26.177  210.725 23.714 279.695 17.546 -68.97009      29.49888 
1 1 1 15  11 8  o 124.427 23.437 44.641    15.061  85.745    29.336  29.928    17.551  168.734 33.609 100.854 30.139 67.87999       45.14362 
1 1 1 15  11 10 o 193.703 25.657 108.276   25.989  124.256   35.965  90.814    37.597  202.412 34.371 167.741 41.923 34.67070       54.21158 
1 1 1 15  11 12 o 148.411 40.869 71.700    33.551  0.0000    0.0000  71.700    33.551  ?       ?      148.411 40.869 0.000000       40.86909 
1 1 1 15  11 14 o 109.735 40.500 35.375    31.464  0.0000    0.0000  35.375    31.464  ?       ?      109.735 40.500 0.000000       40.49960 
1 1 1 15  11 16 o 135.170 30.847 56.512    21.862  65.255    29.324  45.573    32.801  141.180 37.932 118.652 41.656 22.52837       56.33849 
1 1 1 15  11 18 f 121.294 35.559 48.298    24.621  41.283    35.115  55.082    34.530  112.907 42.563 125.749 42.802 -12.84172      60.36190 
1 1 1 15  11 20 o 118.273 36.448 47.943    25.398  57.925    36.118  38.178    35.722  124.642 43.714 107.478 42.280 17.16389       60.81503 
1 1 1 15  11 22 o 94.404  35.224 29.535    23.929  16.877    34.248  41.608    33.447  88.385  38.509 106.205 41.158 -17.82010      56.36475 
1 1 1 15  12 1  o 201.600 23.958 114.409   25.388  0.0000    0.0000  114.409   25.388  ?       ?      201.600 23.958 0.000000       23.95818 
1 1 1 15  12 3  o 140.621 22.307 56.068    16.256  65.338    26.612  50.550    20.532  147.471 34.306 130.875 29.914 16.59575       45.51659 
1 1 1 15  12 5  o 130.446 20.240 48.057    13.696  13.388    23.171  66.676    16.980  84.903  33.844 153.777 21.156 -68.87388      39.91211 
1 1 1 15  12 7  f 112.413 22.181 36.385    12.893  32.131    20.221  39.299    16.737  104.358 32.582 115.301 27.467 -10.94325      42.61500 
1 1 1 15  12 9  o 80.155  23.600 18.483    10.824  13.730    23.495  19.763    12.196  84.889  33.997 82.925  25.202 1.964554       42.31948 
1 1 1 15  12 11 o 156.125 29.736 72.795    23.982  57.008    33.099  90.241    34.794  133.187 41.702 168.473 39.251 -35.28583      57.26842 
1 1 1 15  12 13 o 179.810 27.061 94.990    25.279  70.286    35.000  121.931   36.550  145.784 42.299 198.244 35.702 -52.46062      55.35151 
1 1 1 15  12 15 o 290.821 22.421 241.655   34.688  195.692   48.228  290.915   49.928  248.650 37.331 311.621 30.266 -62.97180      48.05867 
1 1 1 15  12 17 o 170.360 28.898 88.536    25.451  28.853    35.113  154.601   36.942  103.095 41.465 223.470 31.725 -120.3747      52.20929 
1 1 1 15  12 19 o 111.574 43.273 42.469    36.996  42.469    36.996  0.0000    0.0000  111.574 43.273 ?       ?      0.000000       43.27337 
1 1 1 15  12 21 o 112.154 42.587 48.121    35.316  0.0000    0.0000  48.121    35.316  ?       ?      112.154 42.587 0.000000       42.58660 
1 1 1 15  13 0  o 189.903 20.241 100.499   20.290  88.164    37.774  105.502   24.055  168.078 42.030 193.299 23.709 -25.22112      48.25549 
1 1 1 15  13 2  o 315.722 20.733 276.854   34.900  0.0000    0.0000  276.854   34.900  ?       ?      315.722 20.733 0.000000       20.73339 
1 1 1 15  13 4  f 98.698  23.605 28.287    12.322  32.092    18.640  25.335    16.423  104.364 31.032 93.870  29.372 10.49390       42.72805 
1 1 1 15  13 6  o 215.304 18.817 128.809   21.502  126.099   26.016  134.650   38.196  211.020 23.389 211.690 34.869 -0.6697693     41.98706 
1 1 1 15  13 8  o 217.078 14.920 129.354   17.259  148.936   26.488  114.908   22.751  230.101 21.729 202.067 21.323 28.03410       30.44332 
1 1 1 15  13 10 o 131.598 20.611 49.287    14.064  45.650    28.268  50.484    16.213  121.349 38.608 132.031 23.779 -10.68169      45.34372 
1 1 1 15  13 12 o 121.799 41.364 46.742    32.248  46.742    32.248  0.0000    0.0000  121.799 41.364 ?       ?      0.000000       41.36352 
1 1 1 15  13 14 f 129.604 40.198 55.304    30.837  55.304    30.837  0.0000    0.0000  129.604 40.198 ?       ?      0.000000       40.19835 
1 1 1 15  13 16 o 201.333 26.215 120.481   27.626  105.215   37.613  138.363   40.708  176.334 40.622 205.313 38.394 -28.97876      55.89509 
1 1 1 15  13 18 o 244.411 26.537 180.462   34.215  167.782   49.905  191.707   46.999  214.999 44.751 239.001 37.947 -24.00261      58.67378 
1 1 1 15  14 1  o 230.136 19.145 146.741   23.407  161.866   29.673  121.827   38.085  239.933 23.364 201.096 36.676 38.83691       43.48558 
1 1 1 15  14 3  o 359.483 21.864 360.232   41.938  369.698   60.804  351.643   57.919  356.438 32.165 348.246 31.358 8.192474       44.92103 
1 1 1 15  14 5  o 394.851 20.935 433.669   44.159  433.669   44.159  0.0000    0.0000  394.851 20.935 ?       ?      0.000000       20.93488 
1 1 1 15  14 7  o 129.883 31.443 50.786    21.661  50.786    21.661  0.0000    0.0000  129.883 31.443 ?       ?      0.000000       31.44333 
1 1 1 15  14 9  o 282.107 17.257 220.009   25.975  201.646   46.750  228.210   31.241  258.720 34.568 285.554 20.544 -26.83444      40.21209 
1 1 1 15  14 11 o 372.912 22.393 393.471   44.564  394.058   62.368  392.859   63.698  363.064 32.381 361.526 33.236 1.537903       46.40197 
1 1 1 15  14 13 o 235.775 24.190 160.748   30.145  194.130   41.218  122.361   44.200  253.719 30.943 189.841 44.245 63.87820       53.99172 
1 1 1 15  14 15 o 223.441 25.569 147.451   30.079  165.079   41.812  128.543   43.303  227.584 35.420 193.132 42.933 34.45149       55.65817 
1 1 1 15  15 0  f 244.797 16.569 164.534   21.618  163.750   34.923  165.022   27.525  239.253 27.741 243.304 21.316 -4.051178      34.98461 
1 1 1 15  15 2  o 489.676 15.154 653.920   39.783  757.325   58.272  563.653   54.445  523.062 20.780 449.404 22.670 73.65778       30.75255 
1 1 1 15  15 4  o 137.866 22.539 54.213    16.084  104.102   36.626  42.294    17.902  183.926 38.383 119.609 28.350 64.31683       47.71802 
1 1 1 15  15 6  o 317.841 20.420 281.569   34.612  0.0000    0.0000  281.569   34.612  ?       ?      317.841 20.420 0.000000       20.42003 
1 1 1 15  15 8  o 140.599 24.260 57.263    17.626  32.774    21.204  112.028   31.709  104.869 33.446 193.620 31.639 -88.75118      46.03983 
1 1 1 15  15 10 o 239.589 17.609 159.732   22.461  164.476   42.493  157.893   26.459  231.104 35.426 236.337 21.104 -5.232574      41.23521 
1 1 1 15  15 12 f 132.270 43.329 59.184    35.440  0.0000    0.0000  59.184    35.440  ?       ?      132.270 43.329 0.000000       43.32935 
1 1 1 15  15 14 o 113.546 42.226 41.906    34.332  0.0000    0.0000  41.906    34.332  ?       ?      113.546 42.226 0.000000       42.22581 
1 1 1 15  16 1  o 233.091 17.458 149.890   21.658  158.501   35.795  144.917   27.203  234.059 29.157 227.000 22.655 7.059448       36.92417 
1 1 1 15  16 3  o 166.555 24.525 79.469    21.244  0.0000    0.0000  79.469    21.244  ?       ?      166.555 24.525 0.000000       24.52526 
1 1 1 15  16 5  o 85.972  30.579 19.552    17.727  0.0000    0.0000  19.552    17.727  ?       ?      85.972  30.579 0.000000       30.57889 
1 1 1 15  16 7  o 169.557 25.696 83.553    22.626  0.0000    0.0000  83.553    22.626  ?       ?      169.557 25.696 0.000000       25.69551 
1 1 1 15  16 9  o 111.893 39.972 37.922    30.323  0.0000    0.0000  37.922    30.323  ?       ?      111.893 39.972 0.000000       39.97215 
1 1 1 15  17 0  o 246.564 26.220 173.980   34.128  220.533   68.024  158.320   39.453  257.558 51.067 231.135 32.755 26.42278       60.66848 
1 1 1 15  17 2  o 196.723 22.070 109.411   22.875  160.412   62.630  101.560   24.573  214.165 54.431 188.106 24.984 26.05833       59.89105 
1 1 1 15  17 4  o 216.216 36.298 143.561   40.586  0.0000    0.0000  143.561   40.586  ?       ?      216.216 36.298 0.000000       36.29821 
1 1 1 15  17 6  o 84.647  32.746 16.482    21.143  0.0000    0.0000  16.482    21.143  ?       ?      84.647  32.746 0.000000       32.74601 
1 1 1 16  0  0  o 544.875 31.836 819.245   92.274  819.245   92.274  819.245   92.274  544.875 31.836 544.875 31.836 0.000000       0.000000 
1 1 1 16  0  2  o 416.215 20.507 471.785   45.506  471.785   45.506  471.785   45.506  416.215 20.507 416.215 20.507 0.000000       0.000000 
1 1 1 16  0  4  o 28.194  19.728 -11.1904  11.107  -11.1904  11.107  -11.1904  11.107  28.194  19.728 28.194  19.728 0.000000       0.000000 
1 1 1 16  0  6  o 436.343 29.587 528.382   68.485  528.382   68.485  528.382   68.485  436.343 29.587 436.343 29.587 0.000000       0.000000 
1 1 1 16  0  8  o 164.638 39.527 86.441    30.260  86.441    30.260  86.441    30.260  164.638 39.527 164.638 39.527 0.000000       0.000000 
1 1 1 16  0  10 o 150.710 24.188 66.340    18.034  66.340    18.034  66.340    18.034  150.710 24.188 150.710 24.188 0.000000       0.000000 
1 1 1 16  0  12 o 286.291 20.357 226.078   30.883  226.078   30.883  226.078   30.883  286.291 20.357 286.291 20.357 0.000000       0.000000 
1 1 1 16  0  14 o 38.961  24.238 2.9041    10.218  2.9041    10.218  2.9041    10.218  38.961  24.238 38.961  24.238 0.000000       0.000000 
1 1 1 16  0  16 o 61.734  30.726 15.683    12.334  15.683    12.334  15.683    12.334  61.734  30.726 61.734  30.726 0.000000       0.000000 
1 1 1 16  0  18 o 45.487  27.943 5.2042    13.171  5.2042    13.171  5.2042    13.171  45.487  27.943 45.487  27.943 0.000000       0.000000 
1 1 1 16  0  20 o 56.154  31.182 12.564    13.848  12.564    13.848  12.564    13.848  56.154  31.182 56.154  31.182 0.000000       0.000000 
1 1 1 16  0  22 o 53.878  31.850 10.061    15.828  10.061    15.828  10.061    15.828  53.878  31.850 53.878  31.850 0.000000       0.000000 
1 1 1 16  0  24 o 58.435  35.935 10.087    21.833  10.087    21.833  10.087    21.833  58.435  35.935 58.435  35.935 0.000000       0.000000 
1 1 1 16  0  26 o 40.523  26.954 -2.9681   15.710  -2.9681   15.710  -2.9681   15.710  40.523  26.954 40.523  26.954 0.000000       0.000000 
1 1 1 16  0  28 o 130.461 42.041 63.920    25.965  63.920    25.965  63.920    25.965  130.461 42.041 130.461 42.041 0.000000       0.000000 
1 1 1 16  1  1  o 343.653 16.318 319.672   30.064  350.788   52.340  304.351   36.728  355.801 27.655 333.747 20.627 22.05475       34.50059 
1 1 1 16  1  3  o 320.355 16.896 279.059   28.917  271.139   51.556  282.694   34.928  310.457 31.406 321.417 20.374 -10.95984      37.43639 
1 1 1 16  1  5  o 162.634 32.126 76.540    27.018  0.0000    0.0000  76.540    27.018  ?       ?      162.634 32.126 0.000000       32.12584 
1 1 1 16  1  7  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 16  1  9  o 217.576 16.487 129.700   19.089  109.680   32.891  139.868   23.442  193.850 32.819 225.003 19.629 -31.15221      38.24089 
1 1 1 16  1  11 o 191.801 17.184 101.415   17.483  72.138    30.916  115.180   21.198  153.703 37.783 203.666 19.658 -49.96239      42.59127 
1 1 1 16  1  13 o 234.462 16.494 151.397   20.602  179.599   36.134  137.814   25.077  249.906 27.420 221.647 21.368 28.25928       34.76222 
1 1 1 16  1  15 o 101.248 26.520 30.519    14.567  0.0000    0.0000  30.519    14.567  ?       ?      101.248 26.520 0.000000       26.52028 
1 1 1 16  1  17 o 182.673 23.535 97.130    22.514  0.0000    0.0000  97.130    22.514  ?       ?      182.673 23.535 0.000000       23.53531 
1 1 1 16  1  19 o 73.545  27.202 14.152    14.210  0.0000    0.0000  14.152    14.210  ?       ?      73.545  27.202 0.000000       27.20248 
1 1 1 16  1  21 o 207.138 18.756 122.994   20.603  114.146   36.237  127.221   25.045  182.227 38.307 207.501 22.894 -25.27435      44.62729 
1 1 1 16  1  23 o 139.160 19.622 56.837    14.233  51.143    20.325  62.317    19.939  124.481 30.657 140.383 27.476 -15.90221      41.16751 
1 1 1 16  1  25 f 99.941  25.087 32.110    13.422  10.978    19.067  52.866    18.896  71.506  29.848 126.155 28.598 -54.64901      41.33694 
1 1 1 16  1  27 o 57.823  24.262 6.0487    12.697  1.5545    16.503  12.568    19.876  58.456  26.043 71.188  30.138 -12.73195      39.83126 
1 1 1 16  2  0  o 356.855 14.455 343.931   27.656  316.754   38.946  371.575   39.279  340.305 21.456 369.172 19.919 -28.86694      29.27703 
1 1 1 16  2  2  o 284.317 19.912 221.116   30.161  216.093   42.784  226.079   42.525  277.924 29.148 284.690 28.234 -6.765839      40.57997 
1 1 1 16  2  4  o 184.224 17.991 93.116    17.543  85.896    29.833  96.932    21.689  172.188 33.522 186.947 22.065 -14.75899      40.13255 
1 1 1 16  2  6  o 392.228 14.304 416.632   30.078  396.096   59.962  423.537   34.769  374.938 30.083 394.826 16.425 -19.88837      34.27499 
1 1 1 16  2  8  o 89.837  21.293 23.058    10.099  28.746    20.081  21.132    11.684  101.129 32.580 86.115  24.267 15.01445       40.62432 
1 1 1 16  2  10 o 54.005  20.625 5.7074    8.3140  -18.3056  16.819  13.473    9.5642  50.069  23.683 70.277  22.468 -20.20845      32.64484 
1 1 1 16  2  12 o 122.510 25.067 43.541    15.910  0.0000    0.0000  43.541    15.910  ?       ?      122.510 25.067 0.000000       25.06708 
1 1 1 16  2  14 o 190.992 17.390 101.308   17.612  104.923   30.797  99.551    21.469  187.261 31.814 187.508 21.760 -0.2468719     38.54393 
1 1 1 16  2  16 o 65.733  21.677 11.879    8.8646  19.299    13.695  6.5286    11.629  82.048  26.938 60.517  24.023 21.53130       36.09349 
1 1 1 16  2  18 f 148.863 17.415 62.758    13.636  56.126    18.274  71.090    20.482  136.429 25.932 154.075 25.701 -17.64598      36.51038 
1 1 1 16  2  20 o 76.577  24.385 17.365    11.275  17.191    16.224  17.527    15.680  78.972  29.093 79.063  28.681 -0.9110260E-01 40.85295 
1 1 1 16  2  22 o 47.516  21.441 -3.9589   11.586  2.4645    23.442  -6.0351   13.328  71.342  31.448 49.395  22.566 21.94698       38.70631 
1 1 1 16  2  24 o 115.891 34.802 47.957    23.360  40.892    30.256  58.384    36.755  104.945 39.519 118.772 43.784 -13.82697      58.98138 
1 1 1 16  2  26 o 85.505  35.888 23.331    27.794  21.233    31.552  30.600    58.725  85.278  37.060 95.736  44.964 -10.45843      58.26818 
1 1 1 16  3  1  o 204.468 17.873 114.300   19.396  136.954   32.502  101.770   24.172  221.058 28.055 191.282 24.106 29.77676       36.98901 
1 1 1 16  3  3  o 284.173 29.431 226.667   44.190  226.667   44.190  0.0000    0.0000  284.173 29.431 ?       ?      0.000000       29.43145 
1 1 1 16  3  5  o 206.913 14.877 116.577   16.394  124.389   33.176  114.053   18.856  208.856 30.530 204.067 17.402 4.789398       35.14093 
1 1 1 16  3  7  f 269.194 14.097 196.902   20.275  196.699   40.796  196.968   23.364  263.286 29.404 268.635 16.300 -5.348572      33.61911 
1 1 1 16  3  9  o 220.342 14.377 132.380   16.890  137.453   34.014  130.719   19.459  218.752 29.776 218.294 16.755 0.4577484      34.16622 
1 1 1 16  3  11 o 198.130 22.365 110.275   23.341  134.672   32.431  84.055    33.621  216.219 28.685 165.481 38.603 50.73793       48.09371 
1 1 1 16  3  13 f 209.288 21.168 123.076   23.425  0.0000    0.0000  123.076   23.425  ?       ?      209.288 21.168 0.000000       21.16790 
1 1 1 16  3  15 o 186.486 22.054 99.258    21.622  82.996    31.151  114.377   30.037  162.012 36.713 195.969 29.503 -33.95622      47.09890 
1 1 1 16  3  17 o 107.484 27.854 35.438    16.182  32.107    23.155  38.619    22.624  102.059 35.045 110.158 34.475 -8.099121      49.16006 
1 1 1 16  3  19 o 200.420 22.091 117.062   23.343  117.062   23.343  0.0000    0.0000  200.420 22.091 ?       ?      0.000000       22.09100 
1 1 1 16  3  21 o 228.486 17.578 148.329   21.367  122.386   26.299  198.713   36.650  201.917 24.816 255.140 27.213 -53.22301      36.82935 
1 1 1 16  3  23 o 128.290 22.010 49.527    14.594  59.214    18.677  34.341    23.385  137.528 26.289 100.318 35.175 37.20917       43.91291 
1 1 1 16  3  25 o 145.935 19.973 63.802    15.217  48.027    20.234  84.341    23.088  117.174 31.520 160.849 27.777 -43.67565      42.01313 
1 1 1 16  3  27 o 192.376 33.287 136.671   33.089  131.855   44.697  142.511   49.219  159.648 48.186 159.010 50.982 0.6376495      70.15009 
1 1 1 16  4  0  o 120.871 26.860 41.773    16.954  28.922    24.324  53.917    23.644  104.763 35.922 136.366 32.752 -31.60285      48.61116 
1 1 1 16  4  2  o 85.794  28.097 19.765    14.903  0.4907    22.314  35.285    20.023  73.783  31.606 110.918 31.939 -37.13469      44.93376 
1 1 1 16  4  4  o 181.063 17.782 90.022    17.039  101.372   31.127  85.166    20.360  187.651 32.093 174.899 22.214 12.75278       39.03126 
1 1 1 16  4  6  o 63.728  22.751 9.7017    9.8217  5.9969    18.998  11.053    11.474  73.190  30.102 68.265  24.567 4.925720       38.85431 
1 1 1 16  4  8  o 122.400 26.050 43.257    16.570  68.862    22.932  15.285    23.969  154.281 28.783 88.479  34.687 65.80147       45.07415 
1 1 1 16  4  10 o 147.167 18.949 60.404    14.604  88.109    26.834  48.746    17.407  173.976 29.844 129.805 25.920 44.17062       39.52872 
1 1 1 16  4  12 o 176.917 17.892 86.910    16.737  82.463    30.283  88.865    20.084  164.602 35.369 177.577 21.536 -12.97493      41.40960 
1 1 1 16  4  14 o 221.112 20.695 137.739   24.248  139.146   35.649  136.528   33.079  215.509 31.810 215.001 29.473 0.5079956      43.36522 
1 1 1 16  4  16 o 186.586 15.458 96.730    15.324  106.659   30.991  93.517    17.630  185.932 32.259 182.172 18.298 3.760132       37.08704 
1 1 1 16  4  18 o 96.838  25.063 28.477    13.112  12.844    22.486  36.532    16.141  80.395  32.870 108.705 27.635 -28.31066      42.94303 
1 1 1 16  4  20 o 272.613 17.185 209.707   24.988  168.721   42.987  230.624   30.709  225.635 36.804 283.116 20.368 -57.48103      42.06404 
1 1 1 16  4  22 o 103.246 24.588 32.968    13.415  34.245    16.971  30.842    21.901  102.914 29.333 97.136  34.042 5.778236       44.93603 
1 1 1 16  4  24 o 101.581 25.763 33.095    14.052  14.840    20.428  49.491    19.359  76.971  31.383 121.587 29.905 -44.61594      43.35037 
1 1 1 16  4  26 o 49.473  23.418 -12.1691  16.497  -33.7696  30.191  -2.9735   19.698  58.477  28.633 59.803  27.364 -1.326595      39.60565 
1 1 1 16  5  1  o 149.837 17.022 61.696    13.432  68.507    26.854  59.423    15.512  153.420 33.580 146.253 20.332 7.166412       39.25605 
1 1 1 16  5  3  o 346.323 14.142 324.585   26.259  353.731   53.043  315.123   30.222  355.669 28.045 340.645 16.548 15.02374       32.56276 
1 1 1 16  5  5  o 123.769 20.642 43.037    13.215  71.330    24.509  31.440    15.691  157.053 30.205 104.345 27.618 52.70782       40.92785 
1 1 1 16  5  7  o 67.603  21.286 12.476    8.6104  23.444    18.652  9.5053    9.7065  93.106  31.459 63.127  22.609 29.97921       38.74030 
1 1 1 16  5  9  o 141.850 16.540 55.629    12.342  24.664    25.339  65.261    14.132  98.956  36.373 153.531 17.481 -54.57464      40.35521 
1 1 1 16  5  11 o 100.965 20.100 29.108    10.498  34.317    23.515  27.811    11.731  108.350 35.285 98.028  22.759 10.32182       41.98811 
1 1 1 16  5  13 o 191.990 17.523 102.471   17.838  73.078    32.421  115.231   21.362  151.391 39.521 202.660 19.918 -51.26912      44.25624 
1 1 1 16  5  15 o 186.276 17.446 97.117    17.220  98.226    31.700  96.653    20.510  177.200 34.609 184.035 21.173 -6.835434      40.57230 
1 1 1 16  5  17 o 82.459  25.088 20.187    12.081  0.0000    0.0000  20.187    12.081  ?       ?      82.459  25.088 0.000000       25.08792 
1 1 1 16  5  19 o 67.164  24.526 11.621    11.494  0.0000    0.0000  11.621    11.494  ?       ?      67.164  24.526 0.000000       24.52562 
1 1 1 16  5  21 o 235.563 23.504 164.577   29.288  0.0000    0.0000  164.577   29.288  ?       ?      235.563 23.504 0.000000       23.50416 
1 1 1 16  5  23 o 116.633 27.141 43.557    16.653  31.951    28.378  49.653    20.566  97.555  37.882 121.529 31.356 -23.97425      49.17589 
1 1 1 16  5  25 o 93.863  29.954 30.467    17.005  3.3401    32.356  40.821    19.989  76.354  34.985 106.553 32.238 -30.19975      47.57357 
1 1 1 16  6  0  o 148.203 21.143 61.185    16.323  79.710    28.480  52.122    19.919  165.785 33.200 134.661 28.480 31.12422       43.74172 
1 1 1 16  6  2  o 221.017 17.439 133.656   20.496  141.028   36.622  130.294   24.733  222.169 31.640 217.053 21.538 5.115433       38.27467 
1 1 1 16  6  4  o 203.766 17.680 113.946   19.123  67.205    33.481  136.576   23.297  149.316 40.706 222.621 19.723 -73.30551      45.23299 
1 1 1 16  6  6  o 166.788 15.589 76.259    13.778  78.428    28.925  75.622    15.670  162.942 34.201 165.494 17.948 -2.551483      38.62441 
1 1 1 16  6  8  o 98.920  19.283 27.738    9.8588  90.665    22.132  12.160    11.012  179.277 23.600 69.296  24.146 109.9810       33.76374 
1 1 1 16  6  10 o 152.784 22.407 66.180    17.809  0.0000    0.0000  66.180    17.809  ?       ?      152.784 22.407 0.000000       22.40685 
1 1 1 16  6  12 o 62.680  22.821 9.3561    9.9410  0.0000    0.0000  9.3561    9.9410  ?       ?      62.680  22.821 0.000000       22.82113 
1 1 1 16  6  14 o 43.184  18.836 -1.0626   8.2148  0.0000    0.0000  -1.0626   8.2148  ?       ?      43.184  18.836 0.000000       18.83644 
1 1 1 16  6  16 o 189.721 15.079 99.974    15.211  118.527   31.736  94.441    17.331  196.441 31.175 183.077 17.886 13.36465       35.94110 
1 1 1 16  6  18 o 197.253 21.661 112.580   22.530  0.0000    0.0000  112.580   22.530  ?       ?      197.253 21.661 0.000000       21.66068 
1 1 1 16  6  20 o 134.953 18.604 52.432    13.103  112.877   33.135  41.228    14.265  185.962 34.505 117.035 23.551 68.92649       41.77634 
1 1 1 16  6  22 o 96.396  24.575 28.911    12.739  3.1025    28.227  35.512    14.276  76.336  34.030 106.595 25.350 -30.25887      42.43467 
1 1 1 16  6  24 o 145.280 45.152 91.645    38.884  91.645    38.884  0.0000    0.0000  145.280 45.152 ?       ?      0.000000       45.15230 
1 1 1 16  7  1  o 325.928 14.365 287.672   25.102  269.651   35.554  305.582   35.446  312.985 21.315 333.819 19.896 -20.83405      29.15770 
1 1 1 16  7  3  f 156.710 19.872 68.214    16.320  86.745    28.795  59.443    19.810  172.764 32.274 144.160 26.611 28.60457       41.83037 
1 1 1 16  7  5  o 206.155 17.378 116.713   19.028  114.751   34.180  117.593   22.905  198.374 33.319 205.807 21.055 -7.432831      39.41441 
1 1 1 16  7  7  o 158.194 17.050 69.107    14.232  137.436   26.996  42.805    16.749  221.517 23.070 121.446 26.471 100.0717       35.11321 
1 1 1 16  7  9  o 200.931 17.139 111.386   18.287  95.649    34.655  117.459   21.528  176.932 37.688 205.427 19.792 -28.49532      42.56830 
1 1 1 16  7  11 o 96.234  20.287 26.643    10.137  28.723    23.425  26.163    11.245  100.813 35.213 94.843  22.461 5.969971       41.76648 
1 1 1 16  7  13 o 41.500  18.817 -4.5912   9.0494  2.7265    19.546  -6.5877   10.209  69.178  29.606 42.677  19.591 26.50112       35.50042 
1 1 1 16  7  15 o 73.198  24.546 14.946    11.354  -10.5734  25.035  21.555    12.740  67.273  30.806 85.321  25.720 -18.04856      40.13115 
1 1 1 16  7  17 o 124.756 37.305 51.541    26.883  51.541    26.883  0.0000    0.0000  124.756 37.305 ?       ?      0.000000       37.30527 
1 1 1 16  7  19 o 150.095 39.693 78.030    32.431  0.0000    0.0000  78.030    32.431  ?       ?      150.095 39.693 0.000000       39.69347 
1 1 1 16  7  21 o 87.956  37.906 14.723    32.459  14.723    32.459  0.0000    0.0000  87.956  37.906 ?       ?      0.000000       37.90565 
1 1 1 16  7  23 o 92.625  34.044 28.806    22.197  5.7485    33.982  45.966    29.315  80.954  36.607 109.838 39.296 -28.88390      53.70525 
1 1 1 16  7  25 o 151.486 32.255 81.883    25.393  101.303   40.145  68.930    32.786  146.013 45.961 124.545 41.710 21.46802       62.06541 
1 1 1 16  8  0  o 189.261 15.522 97.825    15.612  141.137   22.620  58.429    21.574  226.692 18.781 142.206 29.272 84.48625       34.77939 
1 1 1 16  8  2  o 240.559 17.241 158.402   22.088  171.151   39.164  152.455   26.748  244.971 30.478 234.634 21.503 10.33694       37.29976 
1 1 1 16  8  4  o 170.494 24.172 82.039    21.476  83.399    32.008  80.926    28.963  167.005 36.746 165.670 33.754 1.334335       49.89605 
1 1 1 16  8  6  f 85.177  23.625 20.793    11.166  0.7733    21.983  27.754    12.963  72.619  31.246 97.924  24.695 -25.30536      39.82641 
1 1 1 16  8  8  f 64.739  21.974 10.940    9.1006  46.584    25.697  5.8282    9.7313  123.960 36.324 56.794  22.147 67.16536       42.54336 
1 1 1 16  8  10 o 165.343 15.678 75.547    13.731  115.921   33.260  67.251    15.076  196.716 32.683 154.996 18.509 41.71935       37.56021 
1 1 1 16  8  12 o 80.917  24.054 19.004    11.201  31.060    26.604  16.406    12.349  103.846 37.405 76.820  25.597 27.02519       45.32469 
1 1 1 16  8  14 o 247.796 33.153 188.340   42.939  188.340   42.939  0.0000    0.0000  247.796 33.153 ?       ?      0.000000       33.15250 
1 1 1 16  8  16 o 97.403  36.652 26.745    26.016  26.745    26.016  0.0000    0.0000  97.403  36.652 ?       ?      0.000000       36.65218 
1 1 1 16  8  18 o 96.769  36.843 26.969    26.477  26.969    26.477  0.0000    0.0000  96.769  36.843 ?       ?      0.000000       36.84285 
1 1 1 16  8  20 o 111.528 33.273 41.244    21.404  11.892    32.753  63.120    28.277  87.033  37.791 134.630 37.686 -47.59631      53.37007 
1 1 1 16  8  22 o 162.368 32.453 88.337    27.263  83.579    40.328  92.342    36.998  140.551 46.229 153.102 43.196 -12.55154      63.26957 
1 1 1 16  8  24 o 110.270 42.126 53.181    34.688  0.0000    0.0000  53.181    34.688  ?       ?      110.270 42.126 0.000000       42.12617 
1 1 1 16  9  1  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 16  9  3  o 141.918 37.194 60.695    28.643  60.695    28.643  0.0000    0.0000  141.918 37.194 ?       ?      0.000000       37.19403 
1 1 1 16  9  5  o 145.239 24.622 60.319    18.487  58.799    26.676  61.724    25.645  139.563 35.552 143.577 33.865 -4.013199      49.09958 
1 1 1 16  9  7  o 97.257  22.229 27.328    11.338  37.572    24.532  24.546    12.785  112.563 35.983 91.884  25.198 20.67891       43.92863 
1 1 1 16  9  9  o 143.471 15.929 57.103    12.046  121.074   31.630  46.251    13.028  202.671 30.018 127.789 19.644 74.88161       35.87404 
1 1 1 16  9  11 o 100.631 30.576 30.362    17.953  23.412    26.223  36.495    24.632  95.977  36.636 109.572 36.134 -13.59537      51.45749 
1 1 1 16  9  13 o 147.863 27.996 65.470    21.381  64.428    30.796  66.440    29.709  140.344 39.344 143.260 38.041 -2.915894      54.72704 
1 1 1 16  9  15 o 189.767 25.046 105.443   24.859  108.579   33.963  101.824   36.484  185.240 35.490 175.899 39.637 9.341187       53.20400 
1 1 1 16  9  17 o 114.636 31.983 41.734    20.402  26.301    26.969  62.383    31.195  96.813  37.106 135.088 40.139 -38.27502      54.66258 
1 1 1 16  9  19 o 154.606 43.957 88.488    38.161  88.488    38.161  0.0000    0.0000  154.606 43.957 ?       ?      0.000000       43.95705 
1 1 1 16  9  21 f 66.422  31.132 -14.0909  27.907  0.0000    0.0000  -14.0909  27.907  ?       ?      66.422  31.132 0.000000       31.13166 
1 1 1 16  9  23 o 122.122 44.285 66.667    37.380  0.0000    0.0000  66.667    37.380  ?       ?      122.122 44.285 0.000000       44.28512 
1 1 1 16  10 0  o 70.076  24.092 12.599    10.945  1.2120    15.342  24.400    15.618  62.079  26.389 92.812  28.578 -30.73289      38.89881 
1 1 1 16  10 2  f 183.669 16.252 92.682    15.838  84.835    22.223  100.781   22.578  172.941 24.667 189.505 22.672 -16.56314      33.50389 
1 1 1 16  10 4  o 188.023 16.014 97.209    15.990  75.422    22.145  120.940   23.112  161.861 26.431 208.108 21.001 -46.24696      33.75869 
1 1 1 16  10 6  o 271.699 21.354 206.430   30.855  233.993   43.911  179.548   43.366  284.441 29.209 245.864 33.792 38.57732       44.66681 
1 1 1 16  10 8  o 72.202  21.720 14.783    9.0930  24.456    25.569  13.383    9.7290  97.333  36.393 69.791  22.694 27.54258       42.88891 
1 1 1 16  10 10 o 80.159  22.261 18.654    9.9079  65.777    27.061  11.359    10.647  145.261 35.132 66.847  23.707 78.41363       42.38232 
1 1 1 16  10 12 o 157.326 40.559 80.926    34.429  0.0000    0.0000  80.926    34.429  ?       ?      157.326 40.559 0.000000       40.55917 
1 1 1 16  10 14 o 131.553 41.620 57.616    32.886  0.0000    0.0000  57.616    32.886  ?       ?      131.553 41.620 0.000000       41.62019 
1 1 1 16  10 16 o 68.540  31.507 -11.4084  26.536  0.0000    0.0000  -11.4084  26.536  ?       ?      68.540  31.507 0.000000       31.50742 
1 1 1 16  10 18 o 92.182  33.601 25.343    21.560  30.427    30.054  19.953    30.946  100.614 39.008 92.402  38.251 8.212708       54.63324 
1 1 1 16  10 20 o 81.385  32.557 16.911    21.519  13.428    32.848  19.530    28.481  86.760  37.759 88.262  36.630 -1.501892      52.60712 
1 1 1 16  11 1  o 93.782  29.623 25.036    16.664  0.0000    0.0000  25.036    16.664  ?       ?      93.782  29.623 0.000000       29.62252 
1 1 1 16  11 3  o 229.366 18.599 145.684   22.674  186.574   42.454  129.365   26.820  252.376 32.102 213.881 23.793 38.49530       39.95826 
1 1 1 16  11 5  o 86.106  24.833 21.439    12.096  22.064    18.781  20.997    15.812  90.263  31.530 86.877  28.966 3.385849       42.81535 
1 1 1 16  11 7  o 63.516  26.859 2.5836    15.756  0.0000    0.0000  2.5836    15.756  ?       ?      63.516  26.859 0.000000       26.85887 
1 1 1 16  11 9  o 80.624  27.363 17.854    14.113  0.0000    0.0000  17.854    14.113  ?       ?      80.624  27.363 0.000000       27.36348 
1 1 1 16  11 11 o 186.226 38.942 110.230   37.629  0.0000    0.0000  110.230   37.629  ?       ?      186.226 38.942 0.000000       38.94177 
1 1 1 16  11 13 o 145.743 31.351 65.227    23.769  65.314    32.995  65.134    34.272  140.295 41.174 139.585 42.208 0.7094879      58.96451 
1 1 1 16  11 15 o 61.740  27.331 -2.3254   17.892  2.4432    24.381  -7.8897   26.337  74.657  32.511 70.411  31.994 4.246239       45.61326 
1 1 1 16  11 17 o 75.536  30.170 12.344    18.448  9.8541    24.406  15.663    28.177  79.368  33.488 87.387  36.364 -8.018585      49.43475 
1 1 1 16  11 19 o 120.927 35.464 50.513    24.486  67.054    36.883  37.478    32.742  131.167 44.238 105.065 40.721 26.10106       60.12640 
1 1 1 16  12 0  o 96.940  24.260 27.303    12.579  6.9279    18.260  45.705    17.353  72.304  29.598 125.114 26.684 -52.81026      39.85019 
1 1 1 16  12 2  o 92.738  27.629 24.920    14.766  36.082    28.676  20.892    17.225  112.096 38.971 87.816  30.222 24.28038       49.31632 
1 1 1 16  12 4  o 192.898 18.024 103.265   18.424  123.967   27.330  86.021    24.944  208.446 24.951 171.786 28.052 36.66017       37.54268 
1 1 1 16  12 6  o 68.106  25.118 10.875    12.098  4.5371    14.115  28.427    23.489  62.845  25.908 100.700 35.256 -37.85447      43.75157 
1 1 1 16  12 8  o 82.995  26.729 19.492    13.517  38.367    29.976  14.674    15.145  113.819 39.829 76.990  28.147 36.82903       48.77084 
1 1 1 16  12 10 o 320.699 22.622 291.161   38.646  298.800   54.466  283.415   54.843  316.169 32.600 306.576 33.936 9.592743       47.05735 
1 1 1 16  12 12 o 246.529 24.366 175.175   31.783  194.498   44.434  154.931   45.480  252.292 33.692 219.393 40.145 32.89853       52.40996 
1 1 1 16  12 14 o 148.076 29.961 67.335    22.969  64.350    30.526  71.230    34.872  138.863 39.256 144.004 42.348 -5.141052      57.74441 
1 1 1 16  12 16 o 109.251 39.139 39.079    29.091  39.079    29.091  0.0000    0.0000  109.251 39.139 ?       ?      0.000000       39.13892 
1 1 1 16  12 18 o 76.587  32.462 9.6364    23.101  0.0004    36.402  16.134    29.892  82.587  37.560 87.207  36.942 -4.619858      52.68272 
1 1 1 16  13 1  o 203.483 18.447 114.779   19.906  103.934   29.943  123.368   26.647  188.211 30.735 208.593 24.282 -20.38176      39.16953 
1 1 1 16  13 3  o 121.848 22.567 42.591    14.199  20.498    21.856  58.724    18.677  90.904  33.714 142.540 25.370 -51.63560      42.19339 
1 1 1 16  13 5  o 140.343 29.142 58.335    21.210  58.335    21.210  0.0000    0.0000  140.343 29.142 ?       ?      0.000000       29.14240 
1 1 1 16  13 7  o 245.793 17.244 167.079   22.580  153.299   28.706  189.441   36.567  232.443 23.350 256.320 27.016 -23.87654      35.70894 
1 1 1 16  13 9  o 188.493 21.289 100.636   21.137  167.894   36.580  66.921    25.899  238.988 29.154 147.486 33.515 91.50177       44.42034 
1 1 1 16  13 11 o 136.669 42.317 62.088    34.189  62.088    34.189  0.0000    0.0000  136.669 42.317 ?       ?      0.000000       42.31657 
1 1 1 16  13 13 o 206.111 26.276 125.522   28.376  108.188   40.685  141.941   39.595  177.703 43.138 211.111 36.292 -33.40802      56.37350 
1 1 1 16  13 15 o 114.952 34.059 43.129    22.484  52.054    30.623  32.692    33.118  122.776 40.280 104.280 40.804 18.49568       57.33602 
1 1 1 16  14 0  o 125.565 26.174 45.922    17.049  30.052    23.238  64.424    25.091  103.192 35.113 146.648 32.741 -43.45682      48.00946 
1 1 1 16  14 2  o 235.062 19.009 153.288   23.751  155.950   48.088  152.429   27.315  223.903 41.590 233.022 22.129 -9.119308      47.11125 
1 1 1 16  14 4  o 68.970  25.329 11.246    12.284  -4.3009   19.558  21.374    15.786  64.196  28.489 87.410  28.932 -23.21377      40.60431 
1 1 1 16  14 6  o 114.554 26.442 38.770    15.911  54.015    20.840  17.467    24.635  134.331 29.724 89.595  35.154 44.73535       46.03563 
1 1 1 16  14 8  o 73.509  26.184 13.930    13.003  7.7120    29.053  15.488    14.540  85.379  36.305 77.295  27.672 8.084473       45.64887 
1 1 1 16  14 10 o 136.437 22.538 53.940    15.910  120.598   34.729  36.234    17.899  197.622 34.005 108.917 29.792 88.70470       45.20959 
1 1 1 16  14 12 o 96.658  35.092 27.183    23.481  34.077    33.218  20.297    33.197  107.392 41.177 96.275  39.716 11.11704       57.20950 
1 1 1 16  15 1  o 170.080 23.932 82.542    21.219  47.339    27.794  131.727   32.853  124.313 38.099 212.515 29.642 -88.20142      48.27171 
1 1 1 16  15 3  f 117.749 27.549 41.067    17.083  24.098    38.563  45.209    19.054  106.659 43.258 123.047 29.303 -16.38811      52.24898 
1 1 1 16  15 5  o 183.508 17.675 93.738    17.174  74.129    27.630  106.084   21.924  155.449 34.091 193.684 21.475 -38.23541      40.29099 
1 1 1 16  15 7  o 185.223 24.485 99.111    23.719  0.0000    0.0000  99.111    23.719  ?       ?      185.223 24.485 0.000000       24.48534 
1 1 1 16  15 9  o 85.427  36.170 9.6902    28.633  0.0000    0.0000  9.6902    28.633  ?       ?      85.427  36.170 0.000000       36.17016 
1 1 1 16  16 0  o 98.316  30.392 28.338    17.643  -15.8503  50.808  34.397    18.814  95.605  43.819 107.286 30.979 -11.68175      53.66366 
1 1 1 16  16 2  o 191.950 50.770 126.895   53.051  126.895   53.051  0.0000    0.0000  191.950 50.770 ?       ?      0.000000       50.77018 
1 1 1 16  16 4  o 55.210  24.244 -2.0055   13.812  0.0000    0.0000  -2.0055   13.812  ?       ?      55.210  24.244 0.000000       24.24409 
1 1 1 16  16 6  o 63.182  26.595 3.4206    15.335  0.0000    0.0000  3.4206    15.335  ?       ?      63.182  26.595 0.000000       26.59538 
1 1 1 17  0  1  o 32.785  22.910 -14.3471  14.835  -14.3471  14.835  -14.3471  14.835  32.785  22.910 32.785  22.910 0.000000       0.000000 
1 1 1 17  0  3  o 154.561 43.393 80.011    31.124  80.011    31.124  80.011    31.124  154.561 43.393 154.561 43.393 0.000000       0.000000 
1 1 1 17  0  5  x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 17  0  7  o 135.046 40.480 62.416    25.535  62.416    25.535  62.416    25.535  135.046 40.480 135.046 40.480 0.000000       0.000000 
1 1 1 17  0  9  o 125.297 42.073 56.382    25.237  56.382    25.237  56.382    25.237  125.297 42.073 125.297 42.073 0.000000       0.000000 
1 1 1 17  0  11 o 106.793 42.086 44.130    23.146  44.130    23.146  44.130    23.146  106.793 42.086 106.793 42.086 0.000000       0.000000 
1 1 1 17  0  13 o 228.867 21.599 147.177   25.960  147.177   25.960  147.177   25.960  228.867 21.599 228.867 21.599 0.000000       0.000000 
1 1 1 17  0  15 o 35.175  23.630 -4.4522   12.617  -4.4522   12.617  -4.4522   12.617  35.175  23.630 35.175  23.630 0.000000       0.000000 
1 1 1 17  0  17 o 166.632 23.604 80.980    19.866  80.980    19.866  80.980    19.866  166.632 23.604 166.632 23.604 0.000000       0.000000 
1 1 1 17  0  19 o 84.817  36.095 28.979    16.686  28.979    16.686  28.979    16.686  84.817  36.095 84.817  36.095 0.000000       0.000000 
1 1 1 17  0  21 o 78.677  39.838 27.083    20.921  27.083    20.921  27.083    20.921  78.677  39.838 78.677  39.838 0.000000       0.000000 
1 1 1 17  0  23 f 47.569  31.511 -2.3982   21.119  -2.3982   21.119  -2.3982   21.119  47.569  31.511 47.569  31.511 0.000000       0.000000 
1 1 1 17  0  25 o 26.801  19.368 -25.9690  14.447  -25.9690  14.447  -25.9690  14.447  26.801  19.368 26.801  19.368 0.000000       0.000000 
1 1 1 17  1  0  o 371.892 16.621 375.535   33.139  353.740   39.797  424.824   59.847  359.098 20.760 389.634 28.855 -30.53638      35.54661 
1 1 1 17  1  2  o 343.515 16.403 320.638   30.209  337.061   51.342  311.941   37.360  346.862 27.843 336.858 20.788 10.00369       34.74766 
1 1 1 17  1  4  f 66.418  26.837 6.0162    14.782  6.0162    14.782  0.0000    0.0000  66.418  26.837 ?       ?      0.000000       26.83678 
1 1 1 17  1  6  o 192.409 17.833 102.002   18.186  87.256    31.418  109.433   22.303  171.275 35.385 198.235 21.320 -26.96049      41.31183 
1 1 1 17  1  8  o 225.087 21.720 141.457   25.886  0.0000    0.0000  141.457   25.886  ?       ?      225.087 21.720 0.000000       21.72046 
1 1 1 17  1  10 o 105.940 25.528 32.866    14.328  0.0000    0.0000  32.866    14.328  ?       ?      105.940 25.528 0.000000       25.52785 
1 1 1 17  1  12 o 209.785 17.551 122.332   19.558  101.593   32.964  133.598   24.297  181.737 35.103 217.625 21.089 -35.88748      40.95044 
1 1 1 17  1  14 o 152.523 16.316 65.033    13.135  95.509    18.425  33.542    18.729  183.933 18.956 104.451 31.117 79.48151       36.43620 
1 1 1 17  1  16 o 118.666 18.799 40.465    11.561  40.184    17.212  40.696    15.606  114.013 28.293 115.912 25.779 -1.898926      38.27605 
1 1 1 17  1  18 o 127.587 19.222 47.024    12.740  49.811    17.467  43.855    18.624  127.620 26.400 117.872 29.532 9.747528       39.61161 
1 1 1 17  1  20 o 161.910 17.186 74.712    14.690  79.524    21.166  70.240    20.404  161.917 25.203 151.406 26.077 10.51146       36.26569 
1 1 1 17  1  22 o 170.289 20.265 85.534    18.138  78.366    28.461  90.436    23.537  148.958 36.031 169.781 26.742 -20.82278      44.87092 
1 1 1 17  1  24 o 193.473 17.125 109.048   17.579  112.191   24.234  105.558   25.539  188.779 24.524 180.014 27.320 8.765121       36.71244 
1 1 1 17  2  1  o 183.124 16.648 91.841    16.167  76.287    23.458  105.911   22.311  163.609 27.734 195.408 21.661 -31.79959      35.19020 
1 1 1 17  2  3  o 296.747 31.302 250.767   49.048  0.0000    0.0000  250.767   49.048  ?       ?      296.747 31.302 0.000000       31.30183 
1 1 1 17  2  5  o 319.216 16.499 278.270   28.140  264.516   48.685  285.170   34.483  304.741 30.196 321.747 20.091 -17.00574      36.26890 
1 1 1 17  2  7  o 167.748 22.935 79.339    20.086  71.469    27.626  88.167    29.257  154.757 34.206 172.963 32.750 -18.20538      47.35588 
1 1 1 17  2  9  o 222.551 16.696 136.313   19.776  0.0000    0.0000  136.313   19.776  ?       ?      222.551 16.696 0.000000       16.69632 
1 1 1 17  2  11 o 105.081 20.454 31.671    11.109  45.607    23.365  27.600    12.627  122.015 34.292 97.060  24.317 24.95471       42.03882 
1 1 1 17  2  13 o 128.730 23.034 48.228    15.314  44.008    26.371  50.376    18.810  118.047 37.262 129.465 27.921 -11.41788      46.56200 
1 1 1 17  2  15 o 110.048 20.155 35.130    11.453  30.422    16.588  39.417    15.832  99.539  29.190 114.065 26.410 -14.52658      39.36359 
1 1 1 17  2  17 o 275.217 14.675 210.194   21.574  203.927   30.348  216.598   30.676  266.010 21.462 274.594 20.996 -8.583588      30.02457 
1 1 1 17  2  19 o 183.901 19.603 97.393    19.030  108.867   24.158  78.633    30.889  191.320 24.086 151.119 38.128 40.20103       45.09839 
1 1 1 17  2  21 o 89.792  23.840 24.898    11.669  17.749    15.639  33.876    17.525  78.397  28.612 101.824 30.043 -23.42762      41.48727 
1 1 1 17  2  23 o 86.661  31.521 24.554    18.958  42.198    27.225  7.9440    26.415  105.700 37.863 75.809  33.401 29.89063       50.49008 
1 1 1 17  2  25 o 76.985  29.685 19.029    17.331  84.193    30.059  -13.4191  21.211  144.068 38.269 55.541  26.366 88.52706       46.47224 
1 1 1 17  3  0  o 368.740 20.327 372.897   40.030  394.634   56.509  351.002   56.713  375.484 28.278 352.924 30.266 22.56021       41.42107 
1 1 1 17  3  2  o 255.702 19.993 179.979   27.191  191.774   39.134  168.970   37.807  260.614 28.472 244.009 29.499 16.60460       40.99748 
1 1 1 17  3  4  o 222.869 20.569 137.458   24.300  175.589   35.837  105.007   33.061  249.369 27.249 189.458 33.787 59.91074       43.40583 
1 1 1 17  3  6  f 92.279  24.451 24.537    12.291  43.822    21.476  15.144    14.988  121.667 32.361 78.346  28.090 43.32156       42.85171 
1 1 1 17  3  8  o 166.946 18.533 77.442    16.308  97.976    28.034  66.939    20.050  183.591 29.479 152.728 25.377 30.86337       38.89719 
1 1 1 17  3  10 o 88.679  24.233 22.867    11.849  29.789    20.075  19.166    14.679  101.115 32.574 83.374  27.909 17.74039       42.89492 
1 1 1 17  3  12 o 198.803 18.814 110.717   19.814  111.725   33.198  110.159   24.695  191.299 33.595 195.709 24.042 -4.410828      41.31133 
1 1 1 17  3  14 o 167.975 19.606 80.179    17.324  78.260    30.725  81.073    20.977  155.248 37.365 166.558 24.199 -11.30948      44.51712 
1 1 1 17  3  16 o 206.995 21.437 123.469   23.445  122.614   34.445  124.208   32.002  196.711 33.883 200.685 30.721 -3.974380      45.73722 
1 1 1 17  3  18 o 163.373 20.454 77.215    17.523  73.086    30.155  79.320    21.532  146.448 38.058 162.440 25.569 -15.99208      45.84977 
1 1 1 17  3  20 o 153.575 19.178 68.289    15.447  94.334    22.443  44.847    21.292  177.178 24.264 116.146 32.769 61.03247       40.77419 
1 1 1 17  3  22 o 143.358 19.468 60.527    14.576  63.128    19.914  57.526    21.392  140.665 27.391 131.189 30.921 9.475693       41.30817 
1 1 1 17  3  24 o 58.239  24.278 5.8237    12.592  12.244    15.989  -4.6589   20.432  69.343  27.949 60.163  27.653 9.179462       39.31696 
1 1 1 17  4  1  o 180.505 18.905 89.884    18.024  82.496    30.911  93.690    22.186  167.221 35.572 183.085 23.118 -15.86435      42.42432 
1 1 1 17  4  3  o 125.847 20.728 44.541    13.498  54.239    25.438  40.740    15.925  135.165 34.872 118.945 25.721 16.22021       43.33189 
1 1 1 17  4  5  o 121.180 18.349 41.032    11.548  63.058    23.743  34.207    13.216  146.555 31.177 109.198 23.286 37.35670       38.91290 
1 1 1 17  4  7  o 114.247 19.331 36.817    11.418  37.720    24.146  36.556    12.958  113.280 35.642 113.046 22.173 0.2340088      41.97655 
1 1 1 17  4  9  o 148.307 19.146 61.629    14.868  96.864    25.742  43.991    18.212  183.097 27.036 121.928 28.391 61.16845       39.20469 
1 1 1 17  4  11 o 67.966  24.430 11.515    11.343  11.936    21.091  11.344    13.454  80.208  32.180 70.278  26.375 9.929955       41.60711 
1 1 1 17  4  13 o 184.765 17.995 95.800    17.599  108.307   31.584  90.168    21.195  187.823 32.545 176.815 22.896 11.00768       39.79153 
1 1 1 17  4  15 o 193.352 15.291 103.980   15.721  124.866   31.839  97.245    18.079  202.168 30.309 185.443 18.428 16.72488       35.47112 
1 1 1 17  4  17 o 226.318 15.663 142.945   18.888  114.683   37.138  152.807   21.937  185.208 38.651 232.768 17.712 -47.55992      42.51551 
1 1 1 17  4  19 o 166.874 20.826 81.091    18.226  79.903    32.137  81.655    22.129  151.115 39.298 163.983 26.042 -12.86827      47.14347 
1 1 1 17  4  21 o 62.716  26.935 3.6379    16.281  0.0000    0.0000  3.6379    16.281  ?       ?      62.716  26.935 0.000000       26.93497 
1 1 1 17  4  23 o 100.350 36.884 37.415    26.055  0.0000    0.0000  37.415    26.055  ?       ?      100.350 36.884 0.000000       36.88379 
1 1 1 17  5  0  o 193.952 22.880 104.913   23.333  0.0000    0.0000  104.913   23.333  ?       ?      193.952 22.880 0.000000       22.87956 
1 1 1 17  5  2  o 152.811 17.531 64.464    14.102  71.337    29.028  62.341    16.134  154.901 35.689 149.395 20.700 5.505402       41.25726 
1 1 1 17  5  4  o 189.808 15.062 98.511    15.201  80.281    31.237  104.168   17.401  163.689 36.522 194.749 16.831 -31.06064      40.21380 
1 1 1 17  5  6  o 81.903  23.004 19.177    10.517  5.8136    22.379  22.965    11.915  77.338  32.314 89.263  24.262 -11.92541      40.40826 
1 1 1 17  5  8  o 71.449  27.002 11.204    14.156  1.4506    20.873  19.511    19.263  71.049  30.505 87.599  31.787 -16.55024      44.05634 
1 1 1 17  5  10 o 60.123  21.916 8.5435    9.1718  -2.3154   21.213  11.040    10.172  68.080  29.967 65.856  23.191 2.223137       37.89238 
1 1 1 17  5  12 o 215.074 15.125 127.770   17.329  145.256   36.368  122.634   19.710  219.060 31.903 209.546 17.710 9.513687       36.48938 
1 1 1 17  5  14 o 175.679 21.991 88.980    20.259  0.0000    0.0000  88.980    20.259  ?       ?      175.679 21.991 0.000000       21.99148 
1 1 1 17  5  16 o 69.996  23.922 13.531    10.787  0.0000    0.0000  13.531    10.787  ?       ?      69.996  23.922 0.000000       23.92243 
1 1 1 17  5  18 o 215.355 18.405 131.843   21.046  128.098   36.475  133.713   25.769  197.918 35.687 213.688 22.847 -15.76921      42.37408 
1 1 1 17  5  20 o 85.779  27.925 22.805    14.729  6.8551    24.362  31.994    18.491  75.571  32.703 99.118  31.191 -23.54697      45.19279 
1 1 1 17  5  22 o 124.099 28.426 50.431    18.507  68.509    31.907  41.266    22.718  131.823 40.890 107.453 34.657 24.37013       53.60129 
1 1 1 17  5  24 o 67.720  29.475 7.2385    20.018  29.277    32.747  -5.9091   25.294  90.443  38.503 64.566  30.056 25.87633       48.84518 
1 1 1 17  6  1  o 236.968 17.072 153.768   21.544  176.887   37.698  142.555   26.253  249.715 28.679 226.581 21.884 23.13359       36.07434 
1 1 1 17  6  3  o 306.397 14.166 254.776   23.271  218.744   47.214  266.338   26.745  275.221 32.633 312.350 16.025 -37.12863      36.35551 
1 1 1 17  6  5  o 282.563 16.591 218.782   25.024  270.036   43.658  193.704   30.538  308.980 26.615 263.730 21.793 45.24921       34.39891 
1 1 1 17  6  7  o 80.980  22.274 18.847    9.9730  17.939    22.047  19.081    11.182  88.346  33.624 81.675  23.970 6.670059       41.29337 
1 1 1 17  6  9  o 127.873 18.364 46.028    12.229  34.464    25.803  49.378    13.887  108.273 36.999 131.871 20.293 -23.59719      42.19898 
1 1 1 17  6  11 f 94.989  24.701 26.720    12.697  27.392    26.102  26.512    14.533  99.634  36.865 94.377  27.220 5.257141       45.82511 
1 1 1 17  6  13 o 143.826 19.961 59.095    14.977  66.895    28.769  56.195    17.542  143.631 37.099 138.087 24.596 5.544022       44.51186 
1 1 1 17  6  15 o 212.167 17.242 126.214   19.443  0.0000    0.0000  126.214   19.443  ?       ?      212.167 17.242 0.000000       17.24170 
1 1 1 17  6  17 f 106.215 22.206 33.490    12.238  22.151    26.239  36.642    13.835  91.924  36.212 110.395 24.055 -18.47120      43.47388 
1 1 1 17  6  19 o 53.683  22.945 1.6782    11.713  -42.7841  29.934  9.7169    12.728  58.683  28.687 65.367  25.374 -6.683193      38.29818 
1 1 1 17  6  21 f 147.757 22.636 65.985    17.361  104.145   37.471  55.555    19.590  164.938 42.201 130.963 28.694 33.97467       51.03189 
1 1 1 17  6  23 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 17  7  0  o 229.076 15.267 143.184   18.643  162.221   26.946  125.704   25.820  242.080 20.969 212.152 23.073 29.92848       31.17766 
1 1 1 17  7  2  o 171.955 19.983 82.255    18.079  102.550   31.915  72.665    21.938  187.031 33.036 159.260 26.633 27.77180       42.43495 
1 1 1 17  7  4  o 133.872 22.918 51.035    15.857  60.134    29.521  47.345    18.799  140.314 38.211 127.136 28.308 13.17795       47.55430 
1 1 1 17  7  6  o 154.285 18.875 66.496    15.287  56.302    27.856  70.890    18.288  135.284 37.233 158.214 22.168 -22.92943      43.33247 
1 1 1 17  7  8  o 67.778  21.854 12.635    9.0343  19.150    20.604  11.084    10.052  87.748  32.696 65.842  23.063 21.90587       40.01172 
1 1 1 17  7  10 o 146.737 17.281 60.272    13.335  51.185    30.216  62.470    14.860  126.471 39.882 148.756 19.072 -22.28463      44.20755 
1 1 1 17  7  12 o 139.279 18.153 54.809    13.233  22.982    31.571  61.592    14.575  98.355  39.403 147.475 18.867 -49.12029      43.68656 
1 1 1 17  7  14 o 111.805 28.413 38.276    17.067  65.540    26.911  19.932    22.074  142.889 35.328 88.112  33.618 54.77716       48.76731 
1 1 1 17  7  16 o 100.876 28.119 31.370    15.777  36.301    25.320  28.240    20.173  106.787 36.648 96.227  32.715 10.55978       49.12595 
1 1 1 17  7  18 o 92.228  35.089 24.675    24.006  24.675    24.006  0.0000    0.0000  92.228  35.089 ?       ?      0.000000       35.08945 
1 1 1 17  7  20 o 110.870 34.773 42.552    23.003  46.424    36.150  39.917    29.818  111.520 42.909 106.171 39.378 5.348640       58.23932 
1 1 1 17  7  22 o 103.273 34.803 38.928    22.828  53.149    37.458  30.525    28.792  111.448 43.454 93.832  37.615 17.61584       57.47303 
1 1 1 17  8  1  o 285.039 17.198 222.773   26.159  231.462   32.029  205.367   45.333  289.090 20.805 266.217 32.432 22.87302       38.53177 
1 1 1 17  8  3  o 113.760 30.445 38.301    18.935  56.082    28.056  23.427    25.660  135.594 37.386 97.599  36.464 37.99489       52.22343 
1 1 1 17  8  5  o 95.988  23.658 26.799    12.097  62.221    23.126  13.455    14.194  144.536 30.787 74.580  27.251 69.95560       41.11539 
1 1 1 17  8  7  o 125.259 21.185 44.846    13.720  45.885    26.343  44.459    16.071  121.853 37.040 123.280 25.167 -1.427032      44.78110 
1 1 1 17  8  9  o 205.582 16.533 117.167   18.068  198.390   37.503  92.615    20.619  261.198 27.179 180.420 21.756 80.77791       34.81382 
1 1 1 17  8  11 o 168.803 18.510 80.155    16.477  145.943   33.671  59.443    18.893  221.717 29.023 141.939 25.777 79.77774       38.81735 
1 1 1 17  8  13 o 155.889 20.742 69.539    16.905  56.063    31.791  74.852    19.962  129.948 40.899 160.207 23.978 -30.25903      47.40957 
1 1 1 17  8  15 o 191.353 38.085 119.687   37.697  119.687   37.697  0.0000    0.0000  191.353 38.085 ?       ?      0.000000       38.08485 
1 1 1 17  8  17 f 165.626 28.504 84.453    24.398  105.197   32.840  58.897    36.449  179.303 35.418 127.427 43.957 51.87538       56.45059 
1 1 1 17  8  19 o 97.245  33.855 30.900    21.645  12.642    33.258  44.316    28.508  86.903  37.904 111.724 38.856 -24.82128      54.28137 
1 1 1 17  8  21 o 80.865  32.238 18.450    21.026  -4.8311   32.364  35.454    27.658  74.081  34.318 99.319  37.694 -25.23820      50.97558 
1 1 1 17  9  0  o 259.566 15.219 184.140   21.086  184.947   29.518  183.299   30.131  257.680 21.564 256.262 22.149 1.418762       30.91294 
1 1 1 17  9  2  f 185.556 19.791 96.029    19.384  165.783   34.220  63.072    23.522  240.835 26.966 145.742 31.054 95.09282       41.12771 
1 1 1 17  9  4  o 84.066  25.941 20.159    12.860  45.528    20.554  3.8391    16.486  123.122 31.122 66.174  27.699 56.94833       41.66353 
1 1 1 17  9  6  o 184.256 21.347 95.919    20.697  0.0000    0.0000  95.919    20.697  ?       ?      184.256 21.347 0.000000       21.34731 
1 1 1 17  9  8  o 212.254 14.847 123.998   16.789  159.691   37.060  114.781   18.832  232.044 30.530 203.162 17.459 28.88203       35.17006 
1 1 1 17  9  10 o 269.496 17.297 201.681   24.859  284.741   47.291  169.967   29.222  311.522 28.636 244.348 22.561 67.17343       36.45585 
1 1 1 17  9  12 o 139.331 20.449 55.539    14.821  136.855   32.482  34.159    16.655  214.327 29.014 106.037 28.628 108.2891       40.75999 
1 1 1 17  9  14 o 194.187 26.200 111.541   26.581  116.276   37.358  106.685   37.829  189.022 38.178 178.899 40.396 10.12296       55.58249 
1 1 1 17  9  16 o 154.880 41.742 84.333    35.445  0.0000    0.0000  84.333    35.445  ?       ?      154.880 41.742 0.000000       41.74154 
1 1 1 17  9  18 o 169.355 40.620 102.665   36.407  0.0000    0.0000  102.665   36.407  ?       ?      169.355 40.620 0.000000       40.62001 
1 1 1 17  9  20 o 115.592 42.118 53.122    33.871  0.0000    0.0000  53.122    33.871  ?       ?      115.592 42.118 0.000000       42.11837 
1 1 1 17  10 1  o 219.697 15.785 132.599   18.469  120.006   26.268  144.910   25.971  205.564 24.305 227.411 21.559 -21.84738      32.48910 
1 1 1 17  10 3  o 166.936 17.513 77.424    15.441  85.527    21.649  69.033    22.029  173.034 23.981 153.557 27.781 19.47711       36.69932 
1 1 1 17  10 5  o 159.286 34.932 77.837    29.010  0.0000    0.0000  77.837    29.010  ?       ?      159.286 34.932 0.000000       34.93204 
1 1 1 17  10 7  o 164.086 18.476 75.385    15.971  0.0000    0.0000  75.385    15.971  ?       ?      164.086 18.476 0.000000       18.47587 
1 1 1 17  10 9  o 88.853  23.529 23.156    11.386  0.0000    0.0000  23.156    11.386  ?       ?      88.853  23.529 0.000000       23.52912 
1 1 1 17  10 11 o 276.064 33.255 231.629   48.229  0.0000    0.0000  231.629   48.229  ?       ?      276.064 33.255 0.000000       33.25480 
1 1 1 17  10 13 o 123.310 33.281 48.114    22.513  34.956    31.211  62.387    32.505  107.955 40.239 136.058 41.098 -28.10271      57.51654 
1 1 1 17  10 15 o 137.384 33.221 60.718    24.200  65.482    34.541  56.124    33.917  136.044 42.601 126.668 42.423 9.376450       60.12165 
1 1 1 17  10 17 o 206.869 39.378 147.822   42.078  147.822   42.078  0.0000    0.0000  206.869 39.378 ?       ?      0.000000       39.37766 
1 1 1 17  11 0  o 116.837 26.964 40.142    16.547  40.369    19.573  39.574    30.979  116.201 30.888 116.432 40.504 -0.2305298     50.93761 
1 1 1 17  11 2  o 96.176  28.621 27.048    15.852  36.958    30.571  23.404    18.539  113.343 40.173 91.887  31.362 21.45554       50.96524 
1 1 1 17  11 4  o 330.033 14.711 297.544   26.030  291.770   36.751  303.356   36.872  322.876 21.351 329.484 20.983 -6.608215      29.93579 
1 1 1 17  11 6  o 76.036  29.539 12.045    17.261  -5.1812   25.417  26.790    23.515  72.370  32.275 98.541  35.201 -26.17053      47.75719 
1 1 1 17  11 8  o 170.234 18.462 81.150    16.580  0.0000    0.0000  81.150    16.580  ?       ?      170.234 18.462 0.000000       18.46228 
1 1 1 17  11 10 o 264.404 23.300 199.809   32.692  196.677   47.842  202.553   44.777  251.584 36.538 258.465 33.072 -6.880890      49.28209 
1 1 1 17  11 12 o 198.113 26.036 115.496   26.984  98.859    38.870  130.972   37.490  170.800 42.593 203.824 35.603 -33.02455      55.51311 
1 1 1 17  11 14 o 130.523 33.845 55.102    23.882  44.779    33.195  66.179    34.386  115.899 41.777 137.173 42.432 -21.27370      59.54698 
1 1 1 17  11 16 o 167.923 29.930 88.765    25.958  105.769   35.510  69.251    38.040  175.044 38.853 134.837 44.926 40.20741       59.39571 
1 1 1 17  12 1  o 169.811 18.894 80.432    16.909  74.705    23.896  86.176    23.931  159.536 29.006 172.680 26.712 -13.14374      39.43185 
1 1 1 17  12 3  o 116.193 28.324 40.081    17.484  22.618    34.815  45.970    20.219  103.058 41.346 123.791 30.632 -20.73277      51.45645 
1 1 1 17  12 5  f 194.406 16.592 104.535   17.128  96.641    23.041  114.284   25.606  183.856 23.943 199.917 24.396 -16.06096      34.18252 
1 1 1 17  12 7  o 237.599 18.011 156.964   22.772  177.202   42.959  149.055   26.856  242.133 34.032 229.445 22.105 12.68843       40.58137 
1 1 1 17  12 9  o 206.049 20.779 120.197   22.641  183.734   40.358  91.015    27.351  247.747 31.068 173.829 30.458 73.91795       43.50746 
1 1 1 17  12 11 o 57.273  27.526 -29.9616  24.677  -29.9616  24.677  0.0000    0.0000  57.273  27.526 ?       ?      0.000000       27.52589 
1 1 1 17  12 13 o 62.501  29.635 -23.3607  26.643  -23.3607  26.643  0.0000    0.0000  62.501  29.635 ?       ?      0.000000       29.63508 
1 1 1 17  12 15 o 176.991 29.963 98.346    27.417  128.566   37.535  63.777    40.145  195.619 37.148 129.091 46.006 66.52823       59.13103 
1 1 1 17  13 0  o 202.348 26.184 117.416   27.740  117.416   27.740  0.0000    0.0000  202.348 26.184 ?       ?      0.000000       26.18429 
1 1 1 17  13 2  o 55.952  25.240 -6.6744   16.042  -1.6126   18.160  -24.6484  34.221  63.948  27.947 74.285  34.707 -10.33749      44.56007 
1 1 1 17  13 4  o 155.121 20.841 68.096    16.894  79.938    28.317  61.551    21.051  162.141 33.676 144.323 28.218 17.81837       43.93515 
1 1 1 17  13 6  o 153.728 22.299 67.633    17.842  82.390    21.538  35.357    31.853  168.909 24.499 110.938 40.781 57.97147       47.57350 
1 1 1 17  13 8  o 99.729  33.709 29.423    21.416  83.057    33.605  -7.2604   27.791  160.020 39.426 73.567  33.201 86.45293       51.54358 
1 1 1 17  13 10 o 94.701  34.619 25.350    22.909  42.157    32.286  8.3065    32.512  115.182 41.235 87.805  37.889 27.37682       55.99896 
1 1 1 17  13 12 o 111.585 33.294 39.954    21.430  24.380    29.602  57.106    31.065  96.264  38.290 128.920 40.406 -32.65645      55.66660 
1 1 1 17  14 1  o 139.350 24.983 56.305    17.979  47.870    36.041  59.099    20.745  125.200 43.681 141.447 28.343 -16.24673      52.07042 
1 1 1 17  14 3  o 135.645 25.170 53.655    17.630  103.309   37.348  39.418    19.999  180.736 39.635 114.048 31.611 66.68806       50.69751 
1 1 1 17  14 5  o 252.067 19.026 177.549   25.523  211.502   48.885  164.826   29.925  262.815 35.611 240.260 23.534 22.55548       42.68509 
1 1 1 17  14 7  o 231.975 25.657 156.507   31.375  171.173   48.287  145.791   41.276  230.242 40.602 215.148 37.125 15.09337       55.01614 
1 1 1 17  14 9  o 119.372 42.735 46.652    34.677  0.0000    0.0000  46.652    34.677  ?       ?      119.372 42.735 0.000000       42.73513 
1 1 1 17  15 0  f 192.370 21.961 104.820   22.244  189.451   55.504  88.627    24.279  242.434 44.337 174.438 26.819 67.99539       51.81781 
1 1 1 17  15 2  f 169.765 22.048 82.137    19.593  147.553   49.599  70.042    21.328  211.587 45.102 154.464 26.721 57.12305       52.42333 
1 1 1 17  15 4  o 90.123  29.957 23.436    16.917  0.0000    0.0000  23.436    16.917  ?       ?      90.123  29.957 0.000000       29.95668 
1 1 1 18  0  0  o 216.952 23.380 132.663   26.395  132.663   26.395  132.663   26.395  216.952 23.380 216.952 23.380 0.000000       0.000000 
1 1 1 18  0  2  o 106.543 35.327 40.050    17.951  40.050    17.951  40.050    17.951  106.543 35.327 106.543 35.327 0.000000       0.000000 
1 1 1 18  0  4  o 48.974  29.195 7.3962    13.497  7.3962    13.497  7.3962    13.497  48.974  29.195 48.974  29.195 0.000000       0.000000 
1 1 1 18  0  6  o 287.326 21.250 228.896   32.323  228.896   32.323  228.896   32.323  287.326 21.250 287.326 21.250 0.000000       0.000000 
1 1 1 18  0  8  o 101.830 47.761 44.333    29.230  44.333    29.230  44.333    29.230  101.830 47.761 101.830 47.761 0.000000       0.000000 
1 1 1 18  0  10 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 18  0  12 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 18  0  14 o 158.168 41.426 84.570    30.353  84.570    30.353  84.570    30.353  158.168 41.426 158.168 41.426 0.000000       0.000000 
1 1 1 18  0  16 o 60.647  36.746 11.897    22.089  11.897    22.089  11.897    22.089  60.647  36.746 60.647  36.746 0.000000       0.000000 
1 1 1 18  0  18 o 230.070 31.339 157.999   36.627  157.999   36.627  157.999   36.627  230.070 31.339 230.070 31.339 0.000000       0.000000 
1 1 1 18  0  20 o 126.672 36.227 55.524    21.326  55.524    21.326  55.524    21.326  126.672 36.227 126.672 36.227 0.000000       0.000000 
1 1 1 18  0  22 o 40.241  26.432 -0.9089   14.370  -0.9089   14.370  -0.9089   14.370  40.241  26.432 40.241  26.432 0.000000       0.000000 
1 1 1 18  1  1  o 56.073  24.249 -0.9220   13.377  -0.9220   13.377  0.0000    0.0000  56.073  24.249 ?       ?      0.000000       24.24918 
1 1 1 18  1  3  o 41.415  19.329 -9.6411   10.569  2.4638    11.556  -71.5313  26.131  55.954  23.286 47.571  23.846 8.382561       33.32990 
1 1 1 18  1  5  o 288.614 31.346 241.555   47.723  0.0000    0.0000  241.555   47.723  ?       ?      288.614 31.346 0.000000       31.34594 
1 1 1 18  1  7  o 92.927  24.886 25.205    12.647  35.465    20.796  19.183    15.931  109.013 32.859 84.304  29.062 24.70824       43.86734 
1 1 1 18  1  9  o 116.653 20.570 39.000    12.394  59.204    23.042  30.774    14.703  139.480 31.552 101.725 26.642 37.75458       41.29541 
1 1 1 18  1  11 o 84.993  24.463 21.285    11.749  -3.3834   20.236  33.829    14.430  65.094  28.929 106.369 25.610 -41.27512      38.63633 
1 1 1 18  1  13 o 250.417 14.978 173.650   20.017  143.539   28.176  204.334   28.443  222.058 24.052 268.518 19.899 -46.46068      31.21618 
1 1 1 18  1  15 o 44.314  20.339 -6.5900   10.998  -45.2283  22.872  5.0306    12.543  48.486  23.969 59.645  24.487 -11.15888      34.26491 
1 1 1 18  1  17 o 31.911  15.361 -10.9940  7.7562  -18.3689  11.984  -5.6779   10.175  38.444  18.648 42.938  19.654 -4.494175      27.09268 
1 1 1 18  1  19 o 85.179  25.377 22.451    12.457  16.033    18.336  27.953    16.977  78.274  30.435 93.414  29.941 -15.13979      42.69348 
1 1 1 18  1  21 o 85.810  24.460 23.296    11.801  13.162    16.449  34.043    16.940  72.022  28.576 100.773 29.482 -28.75085      41.05803 
1 1 1 18  1  23 o 75.988  24.870 18.658    11.676  11.305    15.720  27.709    17.439  67.534  27.532 88.653  30.415 -21.11877      41.02594 
1 1 1 18  2  0  o 196.519 23.345 108.183   24.116  113.955   32.324  100.936   36.216  198.491 31.421 183.602 38.042 14.88895       49.34077 
1 1 1 18  2  2  o 84.416  25.717 20.093    12.689  11.429    21.193  24.934    15.842  81.279  32.377 93.626  28.774 -12.34649      43.31563 
1 1 1 18  2  4  o 144.143 21.118 58.529    15.836  93.647    27.287  40.695    19.446  179.635 29.347 117.254 30.606 62.38044       42.40234 
1 1 1 18  2  6  o 74.865  28.086 12.734    15.254  0.0000    0.0000  12.734    15.254  ?       ?      74.865  28.086 0.000000       28.08571 
1 1 1 18  2  8  o 175.866 19.088 86.632    17.708  100.604   29.691  78.917    22.062  183.591 31.286 164.911 25.799 18.68019       40.55136 
1 1 1 18  2  10 o 196.096 17.672 107.388   18.379  86.719    32.942  116.729   22.146  164.623 38.082 203.077 20.627 -38.45349      43.30918 
1 1 1 18  2  12 o 94.337  27.622 26.839    14.864  19.448    23.723  31.617    19.073  88.969  34.611 101.496 31.636 -12.52668      46.89111 
1 1 1 18  2  14 o 265.579 16.912 197.241   23.955  238.269   44.185  180.162   28.508  280.354 29.856 250.675 21.418 29.67981       36.74358 
1 1 1 18  2  16 o 136.400 34.449 60.873    25.198  0.0000    0.0000  60.873    25.198  ?       ?      136.400 34.449 0.000000       34.44871 
1 1 1 18  2  18 o 112.665 31.860 41.582    20.103  57.896    25.736  16.045    32.199  130.311 35.756 89.348  38.112 40.96261       52.25915 
1 1 1 18  2  20 o 134.759 33.030 61.899    23.678  65.735    39.246  59.703    29.691  125.579 45.402 125.964 39.506 -0.3854752     60.18333 
1 1 1 18  2  22 f 55.948  25.192 -1.9608   15.896  0.0000    0.0000  -1.9608   15.896  ?       ?      55.948  25.192 0.000000       25.19220 
1 1 1 18  3  1  o 125.540 20.031 44.294    13.029  56.399    20.038  35.429    17.148  139.550 27.760 110.135 28.738 29.41462       39.95592 
1 1 1 18  3  3  o 188.704 17.903 98.361    17.896  127.728   31.504  84.371    21.745  210.871 28.605 172.525 24.172 38.34575       37.45016 
1 1 1 18  3  5  o 73.126  26.637 12.876    13.546  11.503    21.318  13.805    17.543  80.946  32.396 78.999  30.011 1.946884       44.16071 
1 1 1 18  3  7  o 125.696 21.266 45.118    13.820  53.559    25.768  41.709    16.374  131.705 35.630 119.024 26.355 12.68083       44.31762 
1 1 1 18  3  9  o 70.471  23.274 13.651    10.218  29.419    20.258  8.2717    11.833  99.726  32.764 63.547  24.522 36.17834       40.92414 
1 1 1 18  3  11 o 84.265  23.209 20.916    10.819  38.520    24.389  16.603    12.072  110.979 35.920 76.688  25.296 34.29077       43.93391 
1 1 1 18  3  13 o 104.207 23.122 32.214    12.580  86.395    24.866  13.574    14.585  169.115 28.434 73.798  27.506 95.31643       39.56153 
1 1 1 18  3  15 o 98.186  23.043 28.803    11.922  25.306    23.628  29.998    13.808  93.979  35.014 99.313  25.726 -5.334541      43.44933 
1 1 1 18  3  17 o 61.616  24.979 6.5375    12.852  13.022    21.909  3.1348    15.870  79.343  32.443 62.542  26.719 16.80056       42.02902 
1 1 1 18  3  19 o 55.096  23.709 1.6520    12.660  -1.1249   16.371  5.7835    19.968  58.800  26.081 69.619  29.863 -10.81903      39.64839 
1 1 1 18  3  21 f 53.287  22.767 2.4777    11.524  -13.3561  16.751  16.708    15.880  50.099  23.678 75.754  28.607 -25.65432      37.13505 
1 1 1 18  4  0  o 94.874  29.146 25.614    16.255  0.0000    0.0000  25.614    16.255  ?       ?      94.874  29.146 0.000000       29.14601 
1 1 1 18  4  2  o 50.060  21.235 0.6984    9.8973  12.699    19.460  -3.4892   11.495  80.323  31.320 49.202  21.838 31.12177       38.18121 
1 1 1 18  4  4  o 193.600 22.212 105.393   22.637  117.638   33.197  94.749    30.949  199.979 32.045 178.289 33.611 21.69023       46.43886 
1 1 1 18  4  6  o 92.375  21.559 24.685    10.483  3.2373    22.401  30.699    11.861  74.500  31.784 103.046 22.131 -28.54508      38.72960 
1 1 1 18  4  8  o 59.371  22.007 8.0379    9.3106  10.997    18.086  6.9709    10.860  75.603  29.975 60.180  23.416 15.42284       38.03696 
1 1 1 18  4  10 o 208.361 17.635 121.266   19.515  0.0000    0.0000  121.266   19.515  ?       ?      208.361 17.635 0.000000       17.63516 
1 1 1 18  4  12 o 81.736  23.823 19.671    11.080  16.247    24.487  20.553    12.424  86.501  34.685 83.528  25.448 2.973007       43.01893 
1 1 1 18  4  14 o 237.934 15.055 157.036   19.106  114.406   38.946  170.548   21.926  184.664 40.456 247.085 16.649 -62.42062      43.74771 
1 1 1 18  4  16 o 99.105  30.876 30.851    18.170  0.0000    0.0000  30.851    18.170  ?       ?      99.105  30.876 0.000000       30.87622 
1 1 1 18  4  18 o 120.183 30.349 46.749    19.559  0.0000    0.0000  46.749    19.559  ?       ?      120.183 30.349 0.000000       30.34886 
1 1 1 18  4  20 o 99.295  38.187 34.305    28.623  0.0000    0.0000  34.305    28.623  ?       ?      99.295  38.187 0.000000       38.18733 
1 1 1 18  4  22 o 92.696  35.013 31.289    23.792  21.622    37.156  38.008    30.975  88.061  39.165 98.233  39.139 -10.17225      55.36882 
1 1 1 18  5  1  o 230.406 17.837 146.193   21.862  169.893   37.308  133.800   26.979  243.380 29.173 218.272 23.420 25.10802       37.41104 
1 1 1 18  5  3  f 160.890 16.987 71.624    14.432  58.988    28.761  75.876    16.684  138.646 37.699 164.947 19.227 -26.30170      42.31896 
1 1 1 18  5  5  o 87.658  28.322 21.759    15.167  0.0000    0.0000  21.759    15.167  ?       ?      87.658  28.322 0.000000       28.32173 
1 1 1 18  5  7  o 138.183 20.342 54.227    14.619  0.0000    0.0000  54.227    14.619  ?       ?      138.183 20.342 0.000000       20.34200 
1 1 1 18  5  9  o 76.873  24.996 16.676    11.802  0.0000    0.0000  16.676    11.802  ?       ?      76.873  24.996 0.000000       24.99572 
1 1 1 18  5  11 o 136.448 26.871 55.703    18.957  0.0000    0.0000  55.703    18.957  ?       ?      136.448 26.871 0.000000       26.87065 
1 1 1 18  5  13 o 73.532  24.412 15.224    11.236  17.199    24.180  14.681    12.689  86.903  34.594 73.699  25.906 13.20374       43.21886 
1 1 1 18  5  15 o 145.202 18.171 60.013    13.836  86.970    30.242  52.876    15.560  163.557 35.506 134.185 22.420 29.37103       41.99245 
1 1 1 18  5  17 o 248.630 17.274 174.855   22.883  220.043   41.971  155.743   27.296  265.919 29.961 230.582 22.361 35.33737       37.38607 
1 1 1 18  5  19 o 88.220  26.039 24.501    13.163  13.714    24.560  28.847    15.591  80.373  33.736 94.581  28.439 -14.20805      44.12302 
1 1 1 18  5  21 o 86.092  26.590 24.172    13.509  -0.0003   25.059  34.074    16.038  68.999  31.296 100.693 28.451 -31.69405      42.29576 
1 1 1 18  6  0  o 268.222 31.885 208.682   44.953  208.682   44.953  0.0000    0.0000  268.222 31.885 ?       ?      0.000000       31.88475 
1 1 1 18  6  2  o 117.374 20.530 39.119    12.448  47.190    29.420  37.359    13.739  124.735 39.356 113.833 23.297 10.90167       45.73401 
1 1 1 18  6  4  o 76.004  23.518 16.287    10.562  38.719    22.110  9.6545    12.022  113.388 33.816 66.210  24.915 47.17831       42.00331 
1 1 1 18  6  6  o 243.188 14.882 162.462   19.310  166.203   39.873  161.315   22.070  235.920 32.378 241.370 17.167 -5.450256      36.64724 
1 1 1 18  6  8  f 105.689 25.431 33.161    14.235  36.556    25.847  31.683    17.055  109.727 37.033 102.541 29.462 7.185921       47.32277 
1 1 1 18  6  10 o 88.140  25.847 22.982    13.007  59.633    27.947  12.848    14.696  136.093 37.227 73.375  27.559 62.71802       46.31812 
1 1 1 18  6  12 o 71.424  24.048 14.098    10.899  37.172    28.084  10.006    11.826  109.489 38.537 65.695  24.713 43.79348       45.78048 
1 1 1 18  6  14 o 161.619 20.077 74.851    17.021  89.504    33.887  69.906    19.685  163.595 39.157 153.649 24.736 9.945908       46.31560 
1 1 1 18  6  16 o 84.936  23.446 21.749    11.027  -7.7712   27.055  27.629    12.075  70.299  32.129 95.533  23.692 -25.23392      39.92009 
1 1 1 18  6  18 o 162.464 18.476 76.188    15.807  83.861    32.508  73.812    18.089  152.588 39.447 157.625 22.006 -5.037079      45.17031 
1 1 1 18  6  20 x ?       ?      ?         ?       ?         ?       ?         ?       ?       ?      ?       ?      ?              ?        
1 1 1 18  7  1  o 138.046 29.939 56.489    21.520  80.189    30.339  32.489    30.530  162.308 35.825 109.361 39.966 52.94626       53.67218 
1 1 1 18  7  3  o 102.998 24.744 31.054    13.493  34.439    25.188  29.691    15.979  108.502 36.558 100.286 28.420 8.216339       46.30534 
1 1 1 18  7  5  o 80.133  25.655 18.140    12.467  42.539    26.757  11.375    14.090  117.659 37.576 71.207  26.932 46.45219       46.23085 
1 1 1 18  7  7  o 114.777 23.296 38.448    13.846  37.727    25.535  38.749    16.478  111.253 36.795 113.828 27.344 -2.574997      45.84328 
1 1 1 18  7  9  o 57.213  23.382 4.2954    11.373  45.810    26.638  -4.9596   12.577  120.294 37.369 49.760  22.407 70.53413       43.57220 
1 1 1 18  7  11 o 70.097  27.562 9.9256    15.173  -4.0075   28.596  15.386    17.901  76.165  34.081 79.791  30.315 -3.626244      45.61255 
1 1 1 18  7  13 f 148.407 20.616 63.330    15.961  119.307   33.054  46.310    18.226  196.033 32.595 123.013 28.234 73.01993       43.12255 
1 1 1 18  7  15 o 149.395 17.175 63.230    13.506  91.177    31.911  57.131    14.907  165.800 36.854 140.402 20.401 25.39812       42.12427 
1 1 1 18  7  17 o 150.433 21.674 66.841    16.976  100.382   31.016  52.494    20.285  173.914 34.482 127.673 30.121 46.24048       45.78566 
1 1 1 18  7  19 o 153.752 30.509 77.946    24.261  66.553    33.498  90.515    35.184  129.263 42.115 152.815 41.757 -23.55196      59.30699 
1 1 1 18  8  0  o 96.104  30.297 26.686    17.438  35.168    27.474  20.964    22.565  110.472 38.160 91.945  34.225 18.52715       51.26000 
1 1 1 18  8  2  o 301.151 17.346 250.268   27.888  241.087   48.434  254.821   34.109  285.940 32.151 301.776 21.217 -15.83499      38.52109 
1 1 1 18  8  4  o 108.084 26.655 34.627    15.349  8.9546    28.049  45.601    18.339  85.674  36.011 123.684 28.272 -38.00930      45.78323 
1 1 1 18  8  6  o 163.489 16.671 74.330    14.408  91.538    30.078  69.205    16.414  173.123 33.618 156.459 20.027 16.66385       39.13097 
1 1 1 18  8  8  o 320.051 14.448 280.650   24.791  325.838   50.875  266.579   28.389  333.465 28.737 310.136 17.140 23.32828       33.46058 
1 1 1 18  8  10 o 191.356 16.021 101.679   16.285  141.269   38.549  93.079    17.967  213.516 34.880 181.898 18.689 31.61850       39.57111 
1 1 1 18  8  12 o 179.109 16.876 89.814    16.014  90.498    37.576  89.663    17.702  162.826 42.567 178.046 18.830 -15.22049      46.54571 
1 1 1 18  8  14 o 100.858 26.981 31.248    14.875  58.391    29.303  21.826    17.264  131.050 38.894 86.544  30.230 44.50657       49.26072 
1 1 1 18  8  16 o 84.056  35.983 11.812    28.887  0.0000    0.0000  11.812    28.887  ?       ?      84.056  35.983 0.000000       35.98251 
1 1 1 18  8  18 o 108.755 40.315 43.655    31.246  0.0000    0.0000  43.655    31.246  ?       ?      108.755 40.315 0.000000       40.31519 
1 1 1 18  9  1  f 89.976  26.201 23.563    13.408  27.429    19.351  19.993    18.594  97.573  32.020 87.316  31.290 10.25716       44.76973 
1 1 1 18  9  3  o 54.871  24.102 -2.2075   13.660  44.758    26.000  -20.1134  16.054  120.548 36.833 47.130  22.531 73.41877       43.17728 
1 1 1 18  9  5  o 207.138 23.803 122.578   25.953  0.0000    0.0000  122.578   25.953  ?       ?      207.138 23.803 0.000000       23.80267 
1 1 1 18  9  7  o 59.833  22.316 8.0588    9.6024  17.118    22.191  5.9717    10.651  86.481  33.522 58.327  23.042 28.15443       40.67707 
1 1 1 18  9  9  o 63.192  24.279 8.3922    11.563  0.0000    0.0000  8.3922    11.563  ?       ?      63.192  24.279 0.000000       24.27883 
1 1 1 18  9  11 o 253.548 20.129 181.934   27.138  0.0000    0.0000  181.934   27.138  ?       ?      253.548 20.129 0.000000       20.12941 
1 1 1 18  9  13 o 124.729 30.499 48.828    20.225  0.0000    0.0000  48.828    20.225  ?       ?      124.729 30.499 0.000000       30.49874 
1 1 1 18  9  15 o 118.671 34.000 46.744    22.742  61.056    32.425  32.887    31.906  130.187 41.343 102.813 40.100 27.37437       57.59513 
1 1 1 18  9  17 o 174.090 44.091 116.773   41.197  0.0000    0.0000  116.773   41.197  ?       ?      174.090 44.091 0.000000       44.09114 
1 1 1 18  10 0  f 136.051 22.091 52.837    15.561  46.834    21.963  58.887    22.051  124.362 32.558 140.547 30.166 -16.18530      44.38479 
1 1 1 18  10 2  o 249.534 15.720 171.197   20.923  178.154   30.002  164.609   29.194  251.352 22.502 241.366 22.832 9.986008       32.05660 
1 1 1 18  10 4  o 118.051 30.683 42.077    19.598  0.0000    0.0000  42.077    19.598  ?       ?      118.051 30.683 0.000000       30.68324 
1 1 1 18  10 6  o 252.848 18.212 177.847   24.523  216.958   42.722  158.628   29.948  271.531 29.839 235.569 24.050 35.96170       38.32440 
1 1 1 18  10 8  o 226.542 14.599 141.300   17.638  200.248   39.741  126.841   19.682  260.557 28.937 213.425 17.351 47.13133       33.74070 
1 1 1 18  10 10 o 138.949 18.207 54.636    13.237  94.951    33.956  47.412    14.374  171.367 37.959 127.875 21.744 43.49130       43.74564 
1 1 1 18  10 12 o 158.594 29.142 77.016    23.865  59.847    35.731  90.845    32.067  130.745 43.540 166.652 36.867 -35.90744      57.05174 
1 1 1 18  10 14 o 117.971 35.577 46.665    24.373  75.547    36.650  23.766    32.635  143.073 43.733 96.070  39.475 47.00266       58.91415 
1 1 1 18  11 1  o 292.390 15.333 234.449   23.952  197.143   33.785  272.146   33.961  263.650 24.170 312.447 20.386 -48.79721      31.61924 
1 1 1 18  11 3  o 282.545 17.880 221.060   26.944  211.141   46.307  226.138   33.130  266.140 33.174 283.510 21.968 -17.36984      39.78825 
1 1 1 18  11 5  o 111.569 27.168 37.092    16.099  17.487    26.809  48.149    20.134  91.229  36.392 126.204 30.166 -34.97540      47.26900 
1 1 1 18  11 7  o 69.170  24.445 12.382    11.312  77.189    29.717  1.4016    12.232  156.468 36.152 55.420  23.561 101.0482       43.15208 
1 1 1 18  11 9  o 130.443 19.603 48.632    13.285  77.428    34.186  43.510    14.419  152.198 40.983 121.915 22.900 30.28245       46.94684 
1 1 1 18  11 11 o 67.111  28.712 3.3205    18.373  -38.2849  28.381  33.336    24.106  59.139  28.688 103.464 35.745 -44.32507      45.83339 
1 1 1 18  11 13 o 65.595  30.902 -19.5813  28.111  -19.5813  28.111  0.0000    0.0000  65.595  30.902 ?       ?      0.000000       30.90173 
1 1 1 18  12 0  o 63.457  27.473 -0.2218   17.207  -0.2218   17.207  0.0000    0.0000  63.457  27.473 ?       ?      0.000000       27.47260 
1 1 1 18  12 2  o 45.477  21.566 -15.7647  14.120  -18.8936  16.054  -5.0740   29.676  47.789  22.758 78.134  34.858 -30.34515      41.62926 
1 1 1 18  12 4  o 82.908  29.244 18.431    16.181  7.7509    18.991  46.728    30.912  73.380  30.128 122.153 40.488 -48.77322      50.46787 
1 1 1 18  12 6  o 246.471 26.184 176.561   34.070  157.637   48.593  194.858   47.782  219.367 42.854 250.282 36.699 -30.91475      56.42077 
1 1 1 18  12 8  o 143.086 17.818 57.781    13.373  93.257    36.141  52.154    14.394  167.577 40.644 134.729 20.581 32.84734       45.55786 
1 1 1 18  12 10 f 100.214 33.990 31.015    21.775  38.399    33.485  25.604    28.663  110.553 41.586 97.193  37.980 13.36086       56.31878 
1 1 1 18  13 1  o 144.845 22.895 60.264    17.188  48.840    25.073  70.392    23.609  125.448 35.618 153.593 29.745 -28.14564      46.40452 
1 1 1 18  13 3  o 146.438 26.228 63.021    19.835  56.307    32.287  67.091    25.139  132.037 41.162 147.979 32.569 -15.94173      52.48884 
1 1 1 18  13 5  o 76.727  28.178 14.870    15.203  -25.2119  32.919  25.736    17.140  71.145  33.493 93.365  30.102 -22.22015      45.03202 
1 1 1 18  13 7  o 163.557 30.670 81.944    25.906  78.646    39.621  84.406    34.239  149.618 45.414 159.247 40.121 -9.629471      60.59827 
1 1 1 18  14 0  o 261.784 31.413 203.984   43.207  0.0000    0.0000  203.984   43.207  ?       ?      261.784 31.413 0.000000       31.41263 
1 1 1 18  14 2  f 272.717 23.444 212.509   33.945  0.0000    0.0000  212.509   33.945  ?       ?      272.717 23.444 0.000000       23.44446 
1 1 1 18  14 4  o 92.775  31.341 25.157    18.512  0.0000    0.0000  25.157    18.512  ?       ?      92.775  31.341 0.000000       31.34054 
1 1 1 19  0  1  o 47.528  29.495 4.8989    15.036  4.8989    15.036  4.8989    15.036  47.528  29.495 47.528  29.495 0.000000       0.000000 
1 1 1 19  0  3  o 222.005 22.793 139.415   26.474  139.415   26.474  139.415   26.474  222.005 22.793 222.005 22.793 0.000000       0.000000 
1 1 1 19  0  5  o 142.789 30.659 63.713    20.604  63.713    20.604  63.713    20.604  142.789 30.659 142.789 30.659 0.000000       0.000000 
1 1 1 19  0  7  o 138.951 31.200 61.100    20.288  61.100    20.288  61.100    20.288  138.951 31.200 138.951 31.200 0.000000       0.000000 
1 1 1 19  0  9  o 204.939 24.896 121.305   26.278  121.305   26.278  121.305   26.278  204.939 24.896 204.939 24.896 0.000000       0.000000 
1 1 1 19  0  11 o 73.623  39.402 23.288    21.290  23.288    21.290  23.288    21.290  73.623  39.402 73.623  39.402 0.000000       0.000000 
1 1 1 19  0  13 o 35.701  24.529 -9.5564   15.265  -9.5564   15.265  -9.5564   15.265  35.701  24.529 35.701  24.529 0.000000       0.000000 
1 1 1 19  0  15 o 139.563 32.098 62.577    20.910  62.577    20.910  62.577    20.910  139.563 32.098 139.563 32.098 0.000000       0.000000 
1 1 1 19  0  17 o 227.377 22.452 147.708   26.757  147.708   26.757  147.708   26.757  227.377 22.452 227.377 22.452 0.000000       0.000000 
1 1 1 19  0  19 o 96.543  40.073 38.594    20.653  38.594    20.653  38.594    20.653  96.543  40.073 96.543  40.073 0.000000       0.000000 
1 1 1 19  1  0  o 124.166 22.237 44.008    14.259  75.193    20.580  15.215    19.775  162.352 24.398 83.204  31.802 79.14770       40.08307 
1 1 1 19  1  2  o 141.189 26.907 58.199    19.624  0.0000    0.0000  58.199    19.624  ?       ?      141.189 26.907 0.000000       26.90717 
1 1 1 19  1  4  o 185.661 18.989 96.365    18.635  98.388    31.165  95.238    23.250  180.358 33.462 182.192 24.416 -1.834106      41.42300 
1 1 1 19  1  6  o 55.288  22.964 2.9565    11.207  13.394    16.342  -6.3085   15.397  76.263  28.967 54.639  24.680 21.62360       38.05526 
1 1 1 19  1  8  o 68.611  28.231 6.6261    16.719  10.640    20.268  -1.9224   29.576  77.334  31.362 78.839  35.009 -1.505074      47.00214 
1 1 1 19  1  10 o 114.930 30.162 40.783    18.819  9.3889    24.469  86.244    29.445  80.570  33.738 165.584 34.297 -85.01362      48.10904 
1 1 1 19  1  12 o 111.654 31.145 39.037    19.348  49.050    34.446  34.421    23.386  121.137 42.675 104.987 35.226 16.15091       55.33566 
1 1 1 19  1  14 o 186.305 25.258 103.246   24.578  93.869    36.130  111.323   33.532  164.621 41.071 185.724 34.959 -21.10257      53.93469 
1 1 1 19  1  16 o 189.605 16.919 101.902   17.018  105.535   23.901  98.165    24.238  187.811 24.307 179.855 25.881 7.955612       35.50584 
1 1 1 19  1  18 o 144.914 20.981 62.451    15.827  65.602    19.949  57.099    25.998  144.389 26.755 126.295 36.402 18.09349       45.17678 
1 1 1 19  1  20 o 55.513  23.984 2.4435    13.062  2.8151    18.573  2.0798    18.372  63.535  28.000 62.705  27.730 0.8301277      39.40770 
1 1 1 19  2  1  o 241.277 15.100 159.483   19.435  190.351   27.174  127.158   27.808  261.867 19.495 211.320 25.031 50.54684       31.72682 
1 1 1 19  2  3  f 232.549 22.719 152.837   27.963  134.132   36.662  178.855   43.239  211.612 33.425 244.525 33.894 -32.91316      47.60275 
1 1 1 19  2  5  o 174.102 25.710 88.020    23.276  67.146    29.837  120.475   37.204  145.579 37.869 197.286 36.519 -51.70670      52.60885 
1 1 1 19  2  7  o 109.338 25.150 35.468    14.436  16.628    24.167  45.919    18.000  87.434  34.655 123.627 27.828 -36.19315      44.44477 
1 1 1 19  2  9  o 179.119 19.979 91.026    18.859  62.962    31.752  106.324   23.443  137.842 40.373 191.952 23.254 -54.11012      46.59097 
1 1 1 19  2  11 o 72.355  26.052 13.651    12.905  25.668    21.866  7.2287    15.985  94.424  33.921 67.850  27.724 26.57372       43.80966 
1 1 1 19  2  13 o 171.619 23.796 86.475    21.306  108.558   41.116  78.368    24.911  175.861 43.779 159.129 30.306 16.73198       53.24534 
1 1 1 19  2  15 o 163.261 29.145 82.821    24.575  48.945    36.415  111.152   33.301  117.817 43.553 184.464 34.952 -66.64627      55.84345 
1 1 1 19  2  17 o 91.844  28.776 26.853    15.757  0.0000    0.0000  26.853    15.757  ?       ?      91.844  28.776 0.000000       28.77620 
1 1 1 19  2  19 o 100.215 28.944 33.495    16.421  -2.8967   31.028  47.654    19.354  73.812  33.983 118.794 30.294 -44.98162      45.52528 
1 1 1 19  3  0  o 140.301 22.676 56.115    16.475  50.769    30.871  58.245    19.481  128.551 40.278 141.506 26.656 -12.95531      48.29973 
1 1 1 19  3  2  o 155.451 23.292 69.083    18.814  75.234    23.173  57.186    32.228  160.289 27.984 134.729 40.972 25.55978       49.61711 
1 1 1 19  3  4  o 229.895 17.614 146.659   21.545  163.180   36.722  137.987   26.604  235.569 29.739 220.436 22.843 15.13280       37.49945 
1 1 1 19  3  6  o 154.004 18.487 66.697    14.959  73.532    29.079  64.237    17.444  152.904 36.058 149.487 22.460 3.416046       42.48104 
1 1 1 19  3  8  o 126.709 19.966 45.933    13.114  42.959    25.007  47.061    15.402  116.711 36.199 126.846 23.514 -10.13541      43.16621 
1 1 1 19  3  10 o 157.724 20.711 71.180    17.090  55.320    29.368  79.301    21.015  129.753 39.036 164.615 24.563 -34.86180      46.12059 
1 1 1 19  3  12 o 63.112  25.717 6.1810    13.707  14.150    24.143  2.3901    16.651  83.851  34.146 63.771  27.310 20.07970       43.72330 
1 1 1 19  3  14 o 110.885 24.510 37.133    14.184  40.610    32.546  36.318    15.759  111.214 41.161 108.460 27.161 2.754913       49.31499 
1 1 1 19  3  16 o 88.028  25.079 23.857    12.409  3.0902    32.634  27.367    13.416  81.430  36.424 93.866  25.842 -12.43578      44.66035 
1 1 1 19  3  18 o 85.470  27.657 23.196    14.459  34.237    24.682  17.427    17.841  99.500  36.000 78.624  30.170 20.87579       46.97054 
1 1 1 19  4  1  o 214.518 17.965 127.583   20.471  142.377   35.341  120.113   25.113  220.079 30.796 205.878 23.154 14.20052       38.52891 
1 1 1 19  4  3  f 106.944 25.567 33.727    14.460  64.752    25.297  18.669    17.624  145.652 33.141 84.584  30.446 61.06770       45.00330 
1 1 1 19  4  5  o 104.152 29.903 32.663    17.575  0.0000    0.0000  32.663    17.575  ?       ?      104.152 29.903 0.000000       29.90340 
1 1 1 19  4  7  o 80.393  26.946 18.133    13.684  0.0000    0.0000  18.133    13.684  ?       ?      80.393  26.946 0.000000       26.94631 
1 1 1 19  4  9  f 161.209 20.415 74.055    17.249  0.0000    0.0000  74.055    17.249  ?       ?      161.209 20.415 0.000000       20.41529 
1 1 1 19  4  11 o 126.984 22.739 47.206    14.912  0.0000    0.0000  47.206    14.912  ?       ?      126.984 22.739 0.000000       22.73949 
1 1 1 19  4  13 f 168.262 20.401 81.390    18.027  0.0000    0.0000  81.390    18.027  ?       ?      168.262 20.401 0.000000       20.40081 
1 1 1 19  4  15 o 104.863 24.522 33.552    13.540  48.857    34.096  30.686    14.753  117.388 42.337 99.262  27.005 18.12690       50.21597 
1 1 1 19  4  17 o 64.864  26.779 7.2856    15.108  -1.1033   23.873  12.889    19.512  68.964  30.979 75.546  30.723 -6.582558      43.63023 
1 1 1 19  4  19 o 135.449 21.419 55.669    15.037  76.952    31.820  49.550    17.062  139.600 40.282 123.928 26.483 15.67192       48.20737 
1 1 1 19  5  0  o 51.103  22.376 -1.8282   11.691  53.065    23.849  -19.1920  13.413  131.982 33.613 41.941  20.191 90.04039       39.21122 
1 1 1 19  5  2  o 114.626 23.154 38.132    13.739  96.342    29.394  21.858    15.542  179.417 31.718 87.743  28.691 91.67432       42.76908 
1 1 1 19  5  4  o 241.352 17.477 161.672   22.462  178.647   39.974  153.840   27.154  245.196 31.108 233.112 21.986 12.08359       38.09351 
1 1 1 19  5  6  o 107.633 25.466 34.397    14.466  16.088    28.332  40.853    16.824  90.888  36.998 116.775 27.353 -25.88625      46.01112 
1 1 1 19  5  8  o 172.094 19.521 83.724    17.692  0.0000    0.0000  83.724    17.692  ?       ?      172.094 19.521 0.000000       19.52105 
1 1 1 19  5  10 o 65.542  24.988 9.5487    12.190  20.539    27.187  6.7834    13.637  92.802  36.764 63.977  25.803 28.82515       44.91528 
1 1 1 19  5  12 o 118.511 21.613 41.075    13.226  30.151    31.199  43.468    14.603  102.710 39.766 121.229 23.315 -18.51879      46.09699 
1 1 1 19  5  14 o 110.812 27.219 38.057    16.054  62.171    30.259  28.611    18.939  133.708 39.484 95.762  31.690 37.94653       50.62836 
1 1 1 19  5  16 o 76.381  28.452 16.059    15.600  -6.9449   30.639  24.111    18.126  73.637  33.852 88.258  30.967 -14.62142      45.87934 
1 1 1 19  5  18 o 75.947  27.219 17.266    14.071  28.141    25.465  12.486    16.882  92.496  35.894 71.808  28.797 20.68867       46.01790 
1 1 1 19  6  1  o 182.816 19.897 93.818    19.187  81.658    33.945  99.526    23.258  160.450 39.682 186.623 23.786 -26.17303      46.26500 
1 1 1 19  6  3  f 132.017 26.694 51.452    18.245  30.318    27.661  67.725    24.273  104.226 38.049 149.722 31.249 -45.49587      49.23647 
1 1 1 19  6  5  o 64.983  23.677 10.226    10.704  41.690    24.990  3.1567    11.845  115.977 36.223 56.795  23.601 59.18238       43.23296 
1 1 1 19  6  7  o 203.887 17.966 116.146   19.438  89.561    34.029  129.021   23.681  166.996 38.755 213.452 20.964 -46.45607      44.06184 
1 1 1 19  6  9  o 194.973 18.222 106.700   18.827  194.419   36.154  74.060    22.054  257.782 26.539 157.874 27.027 99.90816       37.87871 
1 1 1 19  6  11 o 58.330  26.356 -6.0789   17.574  13.362    27.535  -19.4416  22.829  86.477  35.963 59.022  27.818 27.45442       45.46648 
1 1 1 19  6  13 o 115.031 27.516 40.864    16.741  12.306    31.353  52.254    19.800  87.826  37.539 129.444 29.223 -41.61813      47.57261 
1 1 1 19  6  15 f 111.003 30.705 39.973    18.889  58.583    32.360  30.355    23.263  126.531 41.402 97.476  34.991 29.05517       54.20751 
1 1 1 19  6  17 o 69.220  30.618 2.4742    22.411  2.4742    22.411  0.0000    0.0000  69.220  30.618 ?       ?      0.000000       30.61819 
1 1 1 19  7  0  o 314.915 22.164 278.944   37.183  322.223   52.337  234.838   52.835  332.587 29.663 278.237 36.283 54.35083       46.86506 
1 1 1 19  7  2  o 72.433  27.637 11.523    14.919  -0.7489   22.840  20.657    19.704  71.671  31.331 88.667  32.152 -16.99562      44.89350 
1 1 1 19  7  4  o 162.665 17.797 73.948    15.267  116.802   33.336  62.573    17.174  196.650 32.772 147.727 22.386 48.92366       39.68830 
1 1 1 19  7  6  o 84.553  24.526 20.894    11.768  9.0901    23.576  24.811    13.581  80.152  33.301 91.613  26.282 -11.46161      42.42234 
1 1 1 19  7  8  o 88.508  27.516 23.050    14.440  33.780    25.070  17.723    17.664  105.808 36.458 82.637  30.369 23.17043       47.44968 
1 1 1 19  7  10 o 79.174  28.423 16.853    15.350  14.790    30.360  17.562    17.792  90.343  37.683 82.065  30.421 8.277840       48.43016 
1 1 1 19  7  12 o 156.801 25.572 73.473    20.756  0.0000    0.0000  73.473    20.756  ?       ?      156.801 25.572 0.000000       25.57213 
1 1 1 19  7  14 f 118.398 24.933 42.753    15.327  20.891    33.479  48.550    17.239  93.976  39.413 125.474 26.460 -31.49731      47.47149 
1 1 1 19  7  16 o 195.255 27.529 119.298   28.018  154.179   40.638  87.695    38.681  210.599 37.360 148.012 44.860 62.58740       58.37941 
1 1 1 19  8  1  o 121.559 36.476 45.617    25.668  0.0000    0.0000  45.617    25.668  ?       ?      121.559 36.476 0.000000       36.47583 
1 1 1 19  8  3  o 238.518 18.648 158.476   23.657  156.982   41.095  159.216   28.932  227.357 34.823 236.748 23.088 -9.391022      41.78141 
1 1 1 19  8  5  o 59.734  23.629 6.2703    11.216  -1.8695   21.744  9.2208    13.091  68.977  30.351 66.757  25.783 2.219284       39.82438 
1 1 1 19  8  7  o 36.558  17.980 -24.4252  12.324  -62.5891  18.485  6.1106    16.535  36.819  18.651 67.877  28.018 -31.05778      33.65829 
1 1 1 19  8  9  f 148.789 19.517 63.033    15.193  128.646   36.026  48.838    16.756  203.112 34.305 128.181 25.281 74.93033       42.61445 
1 1 1 19  8  11 o 126.597 28.022 49.183    18.516  0.0000    0.0000  49.183    18.516  ?       ?      126.597 28.022 0.000000       28.02175 
1 1 1 19  8  13 o 155.165 20.398 69.877    16.558  0.0000    0.0000  69.877    16.558  ?       ?      155.165 20.398 0.000000       20.39843 
1 1 1 19  8  15 o 75.782  32.299 9.1659    23.092  0.0000    0.0000  9.1659    23.092  ?       ?      75.782  32.299 0.000000       32.29879 
1 1 1 19  9  0  o 162.856 27.182 77.435    22.897  77.441    35.309  77.430    30.079  155.381 41.571 158.229 36.237 -2.847336      55.14750 
1 1 1 19  9  2  o 102.001 28.696 30.987    16.352  20.920    27.991  36.202    20.148  95.582  37.481 109.488 32.187 -13.90553      49.40501 
1 1 1 19  9  4  o 145.704 24.517 61.682    18.471  55.970    32.142  64.499    22.571  131.936 41.059 146.598 29.735 -14.66104      50.69550 
1 1 1 19  9  6  o 132.161 24.393 51.152    16.647  35.018    27.664  60.311    20.843  108.245 38.231 141.845 28.399 -33.59985      47.62494 
1 1 1 19  9  8  o 124.885 21.673 45.245    13.985  95.940    34.370  35.187    15.309  172.052 38.251 108.008 26.611 64.04424       46.59670 
1 1 1 19  9  10 o 194.440 17.558 106.419   18.106  133.809   43.278  100.608   19.934  198.419 41.993 187.635 20.131 10.78474       46.56850 
1 1 1 19  9  12 o 213.243 38.367 152.478   42.251  152.478   42.251  0.0000    0.0000  213.243 38.367 ?       ?      0.000000       38.36713 
1 1 1 19  10 1  o 189.803 21.008 101.638   21.019  113.270   26.666  82.553    34.156  198.152 25.706 161.057 39.789 37.09499       47.37069 
1 1 1 19  10 3  o 249.047 18.736 172.993   24.834  171.063   42.951  173.963   30.437  236.965 34.849 247.210 23.238 -10.24434      41.88585 
1 1 1 19  10 5  o 109.002 28.607 35.937    16.928  7.7004    28.560  51.229    21.018  84.407  35.946 129.418 30.747 -45.01104      47.30236 
1 1 1 19  10 7  o 125.081 20.649 45.083    13.364  26.949    29.191  49.891    15.031  100.014 38.537 131.061 22.184 -31.04695      44.46565 
1 1 1 19  10 9  o 283.864 14.409 222.699   21.857  302.468   50.710  204.500   24.222  315.573 30.346 270.542 16.782 45.03156       34.67788 
1 1 1 19  10 11 o 71.191  29.811 7.3568    19.106  13.436    31.916  3.9615    23.852  88.551  37.862 74.074  32.207 14.47668       49.70752 
1 1 1 19  11 0  f 165.254 29.351 81.015    25.052  81.015    25.052  0.0000    0.0000  165.254 29.351 ?       ?      0.000000       29.35087 
1 1 1 19  11 2  o 271.635 24.277 211.050   34.983  178.703   46.957  251.395   52.443  239.602 37.809 287.732 34.696 -48.13045      51.31575 
1 1 1 19  11 4  o 85.271  32.730 17.404    21.001  45.737    25.899  -36.9902  35.885  120.260 36.763 70.295  33.627 49.96494       49.82279 
1 1 1 19  11 6  o 159.264 30.494 77.506    25.089  60.968    33.878  97.594    37.337  134.450 42.205 171.066 41.201 -36.61581      58.98111 
1 1 1 19  11 8  f 182.432 42.895 114.830   41.249  114.830   41.249  0.0000    0.0000  182.432 42.895 ?       ?      0.000000       42.89522 
1 1 1 19  12 1  o 81.115  28.404 17.807    15.246  50.783    21.168  -17.7402  21.977  128.930 31.004 59.158  27.695 69.77186       41.57235 
1 1 1 19  12 3  o 128.874 26.928 49.661    18.006  50.088    29.101  49.397    22.920  124.585 39.118 125.627 33.439 -1.042908      51.46238 
1 1 1 19  12 5  o 140.939 26.287 59.286    19.132  111.871   33.570  33.989    23.284  188.859 34.423 104.930 35.150 83.92976       49.19830 
1 1 1 19  13 0  o 71.221  28.615 8.9717    16.704  -9.7294   32.195  15.860    19.539  77.652  35.318 82.197  31.565 -4.544510      47.36829 
1 1 1 19  13 2  o 114.926 34.298 41.550    22.740  0.0000    0.0000  41.550    22.740  ?       ?      114.926 34.298 0.000000       34.29833 
1 1 1 20  0  0  o 212.794 25.600 130.726   28.087  130.726   28.087  130.726   28.087  212.794 25.600 212.794 25.600 0.000000       0.000000 
1 1 1 20  0  2  f 161.756 39.307 86.153    29.540  86.153    29.540  86.153    29.540  161.756 39.307 161.756 39.307 0.000000       0.000000 
1 1 1 20  0  4  o 71.952  39.881 21.783    22.605  21.783    22.605  21.783    22.605  71.952  39.881 71.952  39.881 0.000000       0.000000 
1 1 1 20  0  6  o 207.352 26.002 124.924   27.674  124.924   27.674  124.924   27.674  207.352 26.002 207.352 26.002 0.000000       0.000000 
1 1 1 20  0  8  f 317.003 22.834 282.146   38.344  282.146   38.344  282.146   38.344  317.003 22.834 317.003 22.834 0.000000       0.000000 
1 1 1 20  0  10 o 92.998  39.028 35.086    19.554  35.086    19.554  35.086    19.554  92.998  39.028 92.998  39.028 0.000000       0.000000 
1 1 1 20  0  12 o 136.998 55.013 80.074    39.297  80.074    39.297  80.074    39.297  136.998 55.013 136.998 55.013 0.000000       0.000000 
1 1 1 20  0  14 o 344.896 20.751 333.045   38.052  333.045   38.052  333.045   38.052  344.896 20.751 344.896 20.751 0.000000       0.000000 
1 1 1 20  0  16 o 384.222 32.493 440.443   65.831  440.443   65.831  440.443   65.831  384.222 32.493 384.222 32.493 0.000000       0.000000 
1 1 1 20  1  1  o 89.741  25.426 23.640    12.791  34.708    18.603  13.714    17.617  107.237 30.758 78.201  29.986 29.03657       42.95629 
1 1 1 20  1  3  o 133.592 20.925 51.051    14.495  60.310    20.273  41.367    20.734  142.494 27.533 116.061 32.193 26.43251       42.36102 
1 1 1 20  1  5  o 130.704 21.546 49.195    14.572  40.850    20.547  57.640    20.670  115.083 32.092 138.361 28.801 -23.27841      43.12132 
1 1 1 20  1  7  o 108.335 27.377 35.453    15.908  24.895    25.927  41.827    20.146  96.445  36.521 116.223 31.530 -19.77811      48.24862 
1 1 1 20  1  9  o 191.321 19.588 103.831   19.809  68.075    31.377  127.526   25.543  142.880 39.593 210.091 23.057 -67.21169      45.81723 
1 1 1 20  1  11 o 212.940 19.250 128.879   21.739  136.803   36.273  124.437   27.156  208.201 33.644 205.177 25.218 3.023361       42.04570 
1 1 1 20  1  13 o 191.684 24.610 109.607   24.707  112.433   44.334  108.335   29.756  172.022 46.818 185.317 31.047 -13.29494      56.17726 
1 1 1 20  1  15 o 168.374 29.328 90.249    25.512  101.654   37.067  79.983    35.168  165.456 41.778 144.831 42.509 20.62463       59.60208 
1 1 1 20  1  17 o 151.564 27.842 74.254    21.790  62.601    31.394  85.086    30.268  125.150 40.771 151.995 37.399 -26.84464      55.32595 
1 1 1 20  2  0  o 184.026 24.161 97.231    23.262  0.0000    0.0000  97.231    23.262  ?       ?      184.026 24.161 0.000000       24.16088 
1 1 1 20  2  2  o 130.597 21.663 48.984    14.637  39.348    20.497  59.008    20.907  113.446 32.202 140.480 28.729 -27.03370      43.15427 
1 1 1 20  2  4  o 88.300  26.049 22.934    13.176  30.674    19.935  16.930    17.558  101.179 32.447 81.796  30.241 19.38374       44.35422 
1 1 1 20  2  6  o 181.548 19.475 93.039    18.660  71.782    30.562  105.673   23.561  149.171 38.083 191.544 23.431 -42.37308      44.71415 
1 1 1 20  2  8  o 152.723 22.910 67.684    18.180  44.271    29.545  81.951    23.063  117.434 39.593 166.153 26.803 -48.71881      47.81236 
1 1 1 20  2  10 o 91.815  28.438 25.476    15.439  48.037    23.758  8.9830    20.313  122.030 34.680 74.991  31.013 47.03842       46.52431 
1 1 1 20  2  12 o 121.772 24.944 44.807    15.737  94.141    38.901  35.153    17.208  161.493 43.816 105.755 29.327 55.73869       52.72468 
1 1 1 20  2  14 o 223.553 17.765 142.426   21.117  212.377   43.841  121.295   24.096  256.768 32.580 202.587 22.569 54.18047       39.63373 
1 1 1 20  2  16 o 59.437  25.576 2.9624    14.731  -15.1200  27.966  9.9059    17.330  65.524  30.854 69.797  28.733 -4.272911      42.16108 
1 1 1 20  3  1  o 238.959 15.979 157.606   20.354  145.227   29.285  169.174   28.309  224.927 24.691 244.651 21.812 -19.72444      32.94511 
1 1 1 20  3  3  o 113.356 28.209 38.649    17.075  -0.9031   37.113  49.270    19.232  88.205  39.190 127.992 28.731 -39.78700      48.59305 
1 1 1 20  3  5  o 144.641 42.656 69.630    35.337  0.0000    0.0000  69.630    35.337  ?       ?      144.641 42.656 0.000000       42.65628 
1 1 1 20  3  7  o 123.796 30.638 47.197    20.225  0.0000    0.0000  47.197    20.225  ?       ?      123.796 30.638 0.000000       30.63766 
1 1 1 20  3  9  o 167.070 27.842 83.827    24.061  0.0000    0.0000  83.827    24.061  ?       ?      167.070 27.842 0.000000       27.84177 
1 1 1 20  3  11 f 133.566 24.326 53.170    16.778  0.0000    0.0000  53.170    16.778  ?       ?      133.566 24.326 0.000000       24.32633 
1 1 1 20  3  13 o 227.996 20.482 150.246   24.769  0.0000    0.0000  150.246   24.769  ?       ?      227.996 20.482 0.000000       20.48159 
1 1 1 20  3  15 o 111.950 31.318 41.777    19.535  0.0000    0.0000  41.777    19.535  ?       ?      111.950 31.318 0.000000       31.31833 
1 1 1 20  4  0  o 189.215 17.211 99.483    17.269  108.403   25.849  92.293    23.207  193.696 25.512 178.836 24.879 14.85983       35.63437 
1 1 1 20  4  2  o 107.617 32.562 35.127    20.393  71.439    29.218  0.6368    28.476  150.733 36.536 79.815  34.935 70.91818       50.55050 
1 1 1 20  4  4  f 190.023 24.754 104.437   24.620  0.0000    0.0000  104.437   24.620  ?       ?      190.023 24.754 0.000000       24.75415 
1 1 1 20  4  6  o 218.928 18.194 134.108   21.162  127.196   37.650  137.300   25.586  201.525 36.177 219.430 22.047 -17.90567      42.36508 
1 1 1 20  4  8  o 127.412 20.312 46.685    13.409  83.000    27.350  35.194    15.385  163.676 32.315 107.908 26.732 55.76820       41.93816 
1 1 1 20  4  10 o 89.539  30.035 23.835    17.001  11.641    24.293  35.538    23.799  81.558  33.837 106.020 35.537 -24.46212      49.06948 
1 1 1 20  4  12 o 188.341 18.831 101.329   18.760  161.510   47.046  89.951    20.456  214.988 42.324 175.254 22.275 39.73363       47.82736 
1 1 1 20  4  14 o 82.394  26.105 20.822    12.934  1.1380    31.150  24.923    14.218  78.441  35.298 89.175  27.235 -10.73393      44.58364 
1 1 1 20  5  1  o 234.333 25.238 157.886   31.207  162.387   42.317  152.519   46.205  230.620 35.353 219.082 40.840 11.53795       54.01622 
1 1 1 20  5  3  o 64.734  26.082 6.6944    13.919  -24.2249  25.352  20.038    16.654  61.382  29.047 85.366  29.698 -23.98429      41.54175 
1 1 1 20  5  5  o 160.407 21.258 73.445    17.832  76.326    32.402  72.193    21.356  153.478 39.229 156.561 26.381 -3.083862      47.27457 
1 1 1 20  5  7  o 61.981  24.135 7.6841    11.543  31.358    22.485  -0.7884   13.451  101.939 34.540 55.354  24.126 46.58487       42.13124 
1 1 1 20  5  9  o 77.787  28.085 16.204    15.010  0.0000    0.0000  16.204    15.010  ?       ?      77.787  28.085 0.000000       28.08477 
1 1 1 20  5  11 o 169.220 18.575 81.619    16.575  117.072   36.696  72.532    18.578  187.649 37.783 157.169 22.706 30.48042       44.08062 
1 1 1 20  5  13 o 175.741 19.031 88.987    17.645  150.771   38.452  72.508    19.859  214.041 34.696 154.854 24.754 59.18721       42.62138 
1 1 1 20  5  15 o 116.955 27.058 43.720    16.629  0.0000    0.0000  43.720    16.629  ?       ?      116.955 27.058 0.000000       27.05812 
1 1 1 20  6  0  o 191.012 22.026 103.506   22.143  97.501    36.053  107.144   28.058  175.484 39.298 191.163 28.226 -15.67877      48.38449 
1 1 1 20  6  2  o 92.090  26.820 24.998    14.047  93.460    30.063  5.8740    15.889  175.137 33.233 66.928  27.528 108.2093       43.15290 
1 1 1 20  6  4  o 85.485  29.501 20.332    16.418  109.616   26.910  -32.6098  20.722  193.608 26.630 49.994  24.312 143.6143       36.05917 
1 1 1 20  6  6  o 227.235 16.149 143.266   19.546  187.557   40.488  129.806   22.320  249.744 30.898 214.522 19.624 35.22217       36.60283 
1 1 1 20  6  8  o 114.476 22.392 38.474    13.251  65.253    28.396  31.020    14.982  141.343 37.029 101.051 27.097 40.29275       45.88504 
1 1 1 20  6  10 o 190.893 17.366 102.745   17.579  140.888   39.145  93.111    19.674  208.369 36.364 179.759 20.798 28.60977       41.89116 
1 1 1 20  6  12 o 172.274 22.373 87.418    20.176  136.856   39.538  70.012    23.461  200.916 38.100 148.372 30.512 52.54427       48.81153 
1 1 1 20  6  14 o 84.826  26.737 22.506    13.581  19.144    31.532  23.272    15.048  89.290  37.890 86.043  28.237 3.246567       47.25421 
1 1 1 20  7  1  o 410.826 22.042 475.311   48.371  397.970   67.390  557.504   69.472  362.778 35.086 436.440 29.870 -73.66162      46.07894 
1 1 1 20  7  3  o 148.618 20.555 62.831    15.939  123.259   32.284  43.354    18.329  203.072 30.603 119.845 28.869 83.22681       42.07148 
1 1 1 20  7  5  o 207.744 16.303 119.858   18.012  166.723   37.869  106.156   20.477  235.712 30.695 193.739 20.002 41.97260       36.63648 
1 1 1 20  7  7  o 157.606 18.118 70.134    15.031  78.387    30.948  67.587    17.195  155.097 37.607 153.129 21.540 1.968033       43.33908 
1 1 1 20  7  9  o 175.926 25.991 92.325    23.776  0.0000    0.0000  92.325    23.776  ?       ?      175.926 25.991 0.000000       25.99106 
1 1 1 20  7  11 o 199.440 17.126 112.499   18.135  190.332   42.508  95.182    20.051  243.862 33.390 180.952 21.062 62.91002       39.47798 
1 1 1 20  8  0  o 212.619 27.342 131.684   30.445  140.780   41.148  120.681   45.257  213.043 37.389 191.148 44.921 21.89508       58.44542 
1 1 1 20  8  2  o 230.443 31.831 159.336   38.277  0.0000    0.0000  159.336   38.277  ?       ?      230.443 31.831 0.000000       31.83122 
1 1 1 20  8  4  o 146.749 22.444 62.151    17.097  0.0000    0.0000  62.151    17.097  ?       ?      146.749 22.444 0.000000       22.44413 
1 1 1 20  8  6  o 104.630 31.854 33.831    19.471  0.0000    0.0000  33.831    19.471  ?       ?      104.630 31.854 0.000000       31.85361 
1 1 1 20  8  8  o 139.872 31.860 61.718    23.358  0.0000    0.0000  61.718    23.358  ?       ?      139.872 31.860 0.000000       31.85986 
1 1 1 20  8  10 o 129.680 24.661 50.710    16.519  0.0000    0.0000  50.710    16.519  ?       ?      129.680 24.661 0.000000       24.66096 
1 1 1 20  9  1  f 170.806 26.178 85.309    23.208  89.799    34.703  81.676    31.216  167.210 39.364 160.810 36.979 6.399689       54.00910 
1 1 1 20  9  3  o 193.468 17.481 104.566   17.936  139.414   37.988  94.569    20.347  212.450 34.538 182.183 21.230 30.26712       40.54131 
1 1 1 20  9  5  o 109.229 23.504 35.300    13.356  29.834    26.314  37.197    15.501  101.194 37.085 111.053 26.419 -9.858665      45.53355 
1 1 1 20  9  7  o 112.364 29.132 39.198    17.696  35.925    30.023  40.941    21.906  107.428 39.576 113.101 33.643 -5.672554      51.94337 
1 1 1 20  9  9  o 205.138 43.334 148.917   46.165  148.917   46.165  0.0000    0.0000  205.138 43.334 ?       ?      0.000000       43.33355 
1 1 1 20  10 0  o 237.629 20.878 159.492   26.329  156.995   30.927  166.066   50.181  233.137 25.141 225.422 43.092 7.715591       49.89013 
1 1 1 20  10 2  o 272.217 34.917 228.628   49.784  228.628   49.784  0.0000    0.0000  272.217 34.917 ?       ?      0.000000       34.91650 
1 1 1 20  10 4  o 130.957 39.976 57.086    30.637  57.086    30.637  0.0000    0.0000  130.957 39.976 ?       ?      0.000000       39.97625 
1 1 1 20  10 6  o 149.362 31.956 70.201    24.816  85.544    32.061  47.272    39.194  160.702 37.838 119.023 44.943 41.67923       58.75041 
1 1 1 20  11 1  o 139.687 26.948 58.300    19.450  67.206    25.277  45.372    30.455  146.832 32.923 118.882 40.198 27.94980       51.95943 
1 1 1 20  11 3  o 69.460  27.671 9.2974    15.481  -1.1843   23.192  17.722    20.792  70.607  31.194 84.605  32.545 -13.99796      45.07998 
1 1 1 21  0  1  o 102.559 40.432 41.451    21.360  41.451    21.360  41.451    21.360  102.559 40.432 102.559 40.432 0.000000       0.000000 
1 1 1 21  0  3  o 63.721  35.654 16.603    18.259  16.603    18.259  16.603    18.259  63.721  35.654 63.721  35.654 0.000000       0.000000 
1 1 1 21  0  5  o 146.252 35.064 69.867    23.848  69.867    23.848  69.867    23.848  146.252 35.064 146.252 35.064 0.000000       0.000000 
1 1 1 21  0  7  o 120.548 47.595 59.449    29.580  59.449    29.580  59.449    29.580  120.548 47.595 120.548 47.595 0.000000       0.000000 
1 1 1 21  0  9  o 72.502  41.970 22.242    26.541  22.242    26.541  22.242    26.541  72.502  41.970 72.502  41.970 0.000000       0.000000 
1 1 1 21  0  11 o 170.381 42.346 99.698    33.474  99.698    33.474  99.698    33.474  170.381 42.346 170.381 42.346 0.000000       0.000000 
1 1 1 21  0  13 o 93.862  52.996 45.817    40.836  45.817    40.836  45.817    40.836  93.862  52.996 93.862  52.996 0.000000       0.000000 
1 1 1 21  1  0  o 59.057  25.825 -1.3900   15.527  -51.8446  39.660  7.7432    16.874  70.261  34.044 70.344  28.584 -0.8250427E-01 44.45240 
1 1 1 21  1  2  o 67.193  28.410 3.6860    17.626  44.832    38.846  -6.9811   19.779  120.792 44.917 62.004  27.993 58.78714       52.92579 
1 1 1 21  1  4  o 95.362  27.720 27.274    15.019  26.471    20.685  28.168    21.842  95.472  33.104 98.036  34.016 -2.563942      47.46554 
1 1 1 21  1  6  o 93.817  26.919 26.522    14.246  44.698    20.732  10.263    19.609  119.472 31.804 75.714  30.795 43.75777       44.27050 
1 1 1 21  1  8  o 101.026 27.696 31.385    15.449  27.703    22.287  34.790    21.434  96.208  34.280 104.885 33.645 -8.677155      48.03206 
1 1 1 21  1  10 o 107.790 27.613 36.251    16.029  29.469    25.950  40.434    20.381  98.153  36.670 111.660 32.244 -13.50707      48.82959 
1 1 1 21  1  12 o 121.432 33.606 49.834    22.621  42.724    40.330  53.098    27.324  109.975 44.366 122.174 37.830 -12.19981      58.30474 
1 1 1 21  2  1  o 89.759  28.516 23.490    15.425  14.634    19.574  38.000    25.055  81.104  31.470 111.346 36.430 -30.24268      48.14069 
1 1 1 21  2  3  o 181.069 18.701 92.180    17.893  106.577   25.278  77.723    25.331  191.374 25.254 160.074 30.632 31.30008       39.69990 
1 1 1 21  2  5  o 46.886  22.052 -13.2949  14.212  -12.6724  34.750  -13.4200  15.575  78.563  36.093 49.657  23.269 28.90650       42.94338 
1 1 1 21  2  7  f 116.892 29.859 42.486    18.780  89.574    38.699  27.980    21.479  159.895 43.835 96.651  33.721 63.24445       55.30477 
1 1 1 21  2  9  o 64.373  28.398 -0.8307   19.153  0.0000    0.0000  -0.8307   19.153  ?       ?      64.373  28.398 0.000000       28.39802 
1 1 1 21  2  11 o 112.307 27.587 39.680    16.490  0.0000    0.0000  39.680    16.490  ?       ?      112.307 27.587 0.000000       27.58707 
1 1 1 21  2  13 o 140.978 30.703 65.385    22.549  0.0000    0.0000  65.385    22.549  ?       ?      140.978 30.703 0.000000       30.70323 
1 1 1 21  3  0  o 105.011 29.882 33.264    17.628  10.823    34.038  41.489    20.607  92.426  39.299 116.355 32.024 -23.92837      50.69438 
1 1 1 21  3  2  o 104.085 26.317 32.372    14.695  15.870    21.982  45.704    19.758  84.644  33.208 122.354 30.283 -37.70923      44.94273 
1 1 1 21  3  4  o 171.028 25.637 85.862    22.783  93.381    28.454  72.430    38.030  174.850 31.513 145.314 44.570 29.53532       54.58502 
1 1 1 21  3  6  o 61.754  25.418 5.1521    13.559  16.658    23.273  -0.7598   16.682  85.643  33.987 61.087  26.739 24.55558       43.24481 
1 1 1 21  3  8  f 61.789  27.573 -3.2815   18.582  -3.6055   21.153  -2.1863   38.887  65.494  29.309 86.295  39.079 -20.80074      48.84828 
1 1 1 21  3  10 o 114.548 28.869 41.462    17.723  51.647    28.408  34.971    22.677  121.898 38.695 103.595 34.689 18.30303       51.96770 
1 1 1 21  3  12 o 132.668 23.879 53.552    16.360  110.054   45.214  45.040    17.549  163.337 48.274 118.824 28.006 44.51402       55.80928 
1 1 1 21  4  1  o 126.719 30.735 49.041    20.667  0.0000    0.0000  49.041    20.667  ?       ?      126.719 30.735 0.000000       30.73515 
1 1 1 21  4  3  o 120.582 25.676 43.242    16.090  39.240    24.993  46.074    21.027  112.183 36.368 121.961 31.822 -9.778412      48.32436 
1 1 1 21  4  5  o 87.273  32.430 20.280    20.242  0.0000    0.0000  20.280    20.242  ?       ?      87.273  32.430 0.000000       32.42973 
1 1 1 21  4  7  o 72.479  26.121 13.881    12.976  11.791    28.302  14.438    14.601  85.477  36.063 74.779  27.591 10.69871       45.40760 
1 1 1 21  4  9  o 226.612 16.535 144.321   19.950  156.630   42.594  140.862   22.581  216.711 38.049 222.145 19.146 -5.434311      42.59442 
1 1 1 21  4  11 o 234.034 17.133 155.513   21.347  245.625   51.636  136.936   23.445  270.277 36.574 217.053 20.386 53.22403       41.87170 
1 1 1 21  5  0  o 92.909  33.213 23.852    20.939  3.6449    24.448  79.479    40.563  76.774  32.990 153.008 45.841 -76.23357      56.47751 
1 1 1 21  5  2  o 83.076  33.125 14.236    22.204  14.795    27.212  13.120    38.409  88.448  36.160 96.946  41.496 -8.498703      55.04053 
1 1 1 21  5  4  o 94.142  27.024 26.634    14.355  40.763    28.006  21.599    16.718  113.527 38.547 86.888  29.781 26.63902       48.71180 
1 1 1 21  5  6  o 137.021 24.377 55.620    17.251  79.121    32.434  46.348    20.372  153.727 39.225 121.504 31.132 32.22309       50.07806 
1 1 1 21  5  8  o 62.297  27.640 -2.0052   18.398  0.0000    0.0000  -2.0052   18.398  ?       ?      62.297  27.640 0.000000       27.63987 
1 1 1 21  5  10 o 76.360  29.891 14.290    17.778  -19.3378  29.372  33.729    22.333  66.788  31.501 101.520 34.422 -34.73200      46.66078 
1 1 1 21  6  1  o 131.257 36.175 54.764    26.275  39.468    31.877  87.174    46.402  113.804 40.949 156.718 49.423 -42.91399      64.18329 
1 1 1 21  6  3  o 151.336 20.434 65.448    16.155  72.747    32.488  63.051    18.621  148.230 39.968 146.556 24.568 1.673782       46.91491 
1 1 1 21  6  5  o 105.446 33.800 34.814    21.635  0.0000    0.0000  34.814    21.635  ?       ?      105.446 33.800 0.000000       33.80033 
1 1 1 21  6  7  o 61.777  24.348 7.5674    11.868  6.3858    26.087  7.8757    13.326  78.783  33.967 64.311  25.657 14.47202       42.56795 
1 1 1 21  6  9  o 147.369 21.025 63.559    16.141  75.746    31.222  59.113    18.856  147.226 38.952 138.895 26.284 8.330978       46.99069 
1 1 1 21  7  0  o 178.536 21.518 90.927    20.182  151.854   35.843  62.643    24.421  225.238 30.464 142.257 32.704 82.98026       44.69460 
1 1 1 21  7  2  o 149.365 29.159 67.566    22.512  0.0000    0.0000  67.566    22.512  ?       ?      149.365 29.159 0.000000       29.15864 
1 1 1 21  7  4  o 75.658  27.522 14.986    14.454  0.0000    0.0000  14.986    14.454  ?       ?      75.658  27.522 0.000000       27.52189 
1 1 1 21  7  6  o 80.207  27.626 18.411    14.394  0.0000    0.0000  18.411    14.394  ?       ?      80.207  27.626 0.000000       27.62629 
1 1 1 21  7  8  o 145.270 22.967 62.629    17.293  0.0000    0.0000  62.629    17.293  ?       ?      145.270 22.967 0.000000       22.96688 
1 1 1 21  8  1  o 181.356 21.782 94.303    20.755  67.573    34.866  108.974   25.830  141.264 42.540 192.836 25.619 -51.57204      49.65875 
1 1 1 21  8  3  o 83.530  26.572 20.502    13.391  38.648    30.404  16.136    14.915  110.862 39.979 77.671  28.003 33.19048       48.81114 
1 1 1 21  8  5  o 48.095  22.360 -10.1738  13.928  7.7718    24.796  -18.4457  16.835  78.599  33.484 48.847  23.274 29.75195       40.77785 
1 1 1 21  9  0  o 152.793 33.798 73.424    26.952  74.843    33.374  70.764    45.699  149.666 40.575 140.615 49.179 9.051483       63.75624 
1 1 1 21  9  2  o 55.538  26.461 -22.9247  21.759  -18.4344  27.428  -30.5501  35.743  66.219  30.981 71.501  34.025 -5.282326      46.01662 
1 1 1 22  0  0  o 76.747  48.610 17.743    43.118  17.743    43.118  17.743    43.118  76.747  48.610 76.747  48.610 0.000000       0.000000 
1 1 1 22  0  2  o 76.775  48.281 19.456    41.697  19.456    41.697  19.456    41.697  76.775  48.281 76.775  48.281 0.000000       0.000000 
1 1 1 22  0  4  o 82.670  40.966 30.509    21.886  30.509    21.886  30.509    21.886  82.670  40.966 82.670  40.966 0.000000       0.000000 
1 1 1 22  0  6  o 140.730 39.885 69.827    26.066  69.827    26.066  69.827    26.066  140.730 39.885 140.730 39.885 0.000000       0.000000 
1 1 1 22  0  8  o 165.521 35.578 89.556    27.712  89.556    27.712  89.556    27.712  165.521 35.578 165.521 35.578 0.000000       0.000000 
1 1 1 22  1  1  o 127.750 27.445 49.237    18.237  41.845    23.027  61.676    29.870  115.100 34.551 136.921 38.876 -21.82113      52.01086 
1 1 1 22  1  3  o 113.409 26.735 39.052    15.990  42.515    23.466  36.051    21.847  115.155 34.949 107.036 33.930 8.118660       48.71000 
1 1 1 22  1  5  o 126.958 31.363 51.130    21.223  -1.0600   47.174  64.374    23.764  93.280  42.552 142.495 31.901 -49.21557      53.18197 
1 1 1 22  1  7  o 85.870  33.118 19.899    21.576  7.6142    41.011  24.600    25.370  91.326  40.843 92.828  35.882 -1.502060      54.36626 
1 1 1 22  2  0  o 154.103 22.873 68.782    18.324  86.414    27.051  53.832    24.909  168.209 31.143 130.137 34.958 38.07243       46.81805 
1 1 1 22  2  2  o 174.701 20.321 87.109    18.677  95.424    26.676  79.114    26.159  177.735 28.995 159.836 31.646 17.89886       42.92046 
1 1 1 22  2  4  o 63.314  26.863 3.4099    15.845  -21.8999  25.733  18.866    20.109  61.958  29.303 84.853  32.156 -22.89457      43.50479 
1 1 1 22  2  6  o 137.519 24.639 56.758    17.499  74.651    25.552  40.956    24.013  152.867 32.195 111.412 35.599 41.45532       47.99751 
1 1 1 22  2  8  o 113.023 28.176 40.474    17.014  29.413    25.207  49.730    23.058  96.788  36.145 121.654 34.022 -24.86525      49.63843 
1 1 1 22  3  1  o 119.116 38.525 45.977    28.058  0.0000    0.0000  45.977    28.058  ?       ?      119.116 38.525 0.000000       38.52469 
1 1 1 22  3  3  o 60.381  25.489 3.1551    14.151  3.2782    22.012  3.0684    18.474  72.145  31.153 67.104  28.752 5.041206       42.39313 
1 1 1 22  3  5  f 106.782 27.970 35.397    16.204  88.161    27.025  5.7810    20.247  167.700 31.206 71.439  30.341 96.26067       43.52454 
1 1 1 22  3  7  o 130.294 28.939 53.520    19.689  43.615    37.009  57.430    23.253  112.438 43.373 132.291 32.918 -19.85293      54.44954 
1 1 1 22  4  0  o 135.441 24.421 54.052    17.081  67.510    25.906  43.702    22.718  146.416 33.701 117.552 34.070 28.86449       47.92200 
1 1 1 22  4  2  o 88.463  29.798 22.986    16.734  27.378    30.537  21.101    20.006  100.259 39.195 87.717  32.308 12.54193       50.79369 
1 1 1 22  4  4  o 49.254  23.008 -11.7837  15.029  71.305    46.807  -21.3343  15.869  136.973 49.573 45.431  21.894 91.54210       54.19253 
1 1 1 22  4  6  o 168.202 21.731 82.748    19.138  63.872    33.551  91.851    23.301  132.944 42.037 174.620 25.653 -41.67636      49.24600 
1 1 1 22  5  1  o 101.344 28.793 31.502    16.379  36.398    25.556  28.089    21.338  107.694 36.821 96.926  33.621 10.76828       49.86182 
1 1 1 22  5  3  o 119.232 30.058 44.558    19.209  34.113    32.010  50.436    24.014  105.975 40.471 124.439 34.692 -18.46339      53.30545 
1 1 1 22  5  5  o 97.550  41.827 20.030    39.147  0.0000    0.0000  20.030    39.147  ?       ?      97.550  41.827 0.000000       41.82675 
1 1 1 22  6  0  o 115.058 27.624 40.395    16.825  60.077    25.590  25.407    22.330  136.720 34.817 94.152  34.215 42.56796       48.81480 
1 1 1 22  6  2  o 77.609  31.284 12.247    20.036  0.0000    0.0000  12.247    20.036  ?       ?      77.609  31.284 0.000000       31.28400 
1 1 1 22  6  4  o 137.329 52.612 76.934    54.201  0.0000    0.0000  76.934    54.201  ?       ?      137.329 52.612 0.000000       52.61153 
1 1 1 22  7  1  o 81.177  26.350 19.333    13.118  39.940    30.423  14.627    14.539  111.151 40.003 74.898  27.549 36.25353       48.57153 
1 1 1 23  0  1  o 63.505  37.064 16.584    20.961  16.584    20.961  16.584    20.961  63.505  37.064 63.505  37.064 0.000000       0.000000 
1 1 1 23  1  0  o 91.432  29.427 25.419    16.386  50.904    22.797  -1.8189   23.568  125.609 33.309 70.060  31.174 55.54832       45.62103 
1 1 1 23  1  2  o 124.652 34.187 51.223    23.533  58.398    26.370  23.151    52.158  131.807 36.206 105.799 46.759 26.00758       59.13725 
1 1 1 23  2  1  o 104.800 30.772 34.800    18.425  26.236    30.360  39.793    23.183  97.609  38.792 110.361 34.948 -12.75232      52.21314 
1 1 1 23  3  0  o 78.544  31.956 12.394    21.122  0.0000    0.0000  12.394    21.122  ?       ?      78.544  31.956 0.000000       31.95600 
# 
#END OF REFLECTIONS
