data_r5bn7sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-08-12 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5bn7 
_cell.length_a      110.5900 
_cell.length_b      110.5900 
_cell.length_c      69.5400 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_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   3.700 
_diffrn_reflns.pdbx_d_res_low    110.590 
_diffrn_reflns.limit_h_max       29 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       29 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       18 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            9160 
_diffrn_reflns.pdbx_number_obs   6461 
# 
_entry.id   5bn7 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5bn7 
_symmetry.space_group_name_H-M   "P 4" 
_symmetry.Int_Tables_number      75 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"   
2 "-Y,  X,  Z"  
3 "Y,  -X,  Z"  
4 "-X,  -Y,  Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  12 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  13 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  14 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  15 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  16 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  17 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  0  18 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  1  o 47.173  10.693 2375.55   985.570  0.0000    0.0000   2375.55   985.570  ?       ?      47.173  10.693 ?              ?        
1 1 1 0  1  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  3  o 224.668 41.111 66892.28  18618.01 65955.47  26329.20 67829.19  26330.48 222.761 58.388 226.575 57.892 -3.813736      82.22294 
1 1 1 0  1  4  o 172.659 47.783 43285.50  17059.95 43285.50  17059.95 0.0000    0.0000   172.659 47.783 ?       ?      ?              ?        
1 1 1 0  1  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  12 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  13 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  14 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  15 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  16 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  1  17 o 11.496  4.9974 163.283   214.134  163.283   214.134  0.0000    0.0000   11.496  4.9974 ?       ?      ?              ?        
1 1 1 0  1  18 f 12.726  5.9099 612.514   361.334  612.514   361.334  0.0000    0.0000   12.726  5.9099 ?       ?      ?              ?        
1 1 1 0  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  2  2  o 108.225 11.133 12128.05  2409.63  11947.37  3407.49  12308.78  3407.98  107.391 15.865 109.060 15.624 -1.669189      22.26692 
1 1 1 0  2  3  o 116.086 11.777 13805.01  2734.12  13682.49  3865.36  13927.69  3867.92  115.559 16.725 116.613 16.584 -1.054222      23.55322 
1 1 1 0  2  4  o 90.643  12.040 8737.71   2012.81  8694.84   2465.21  8823.45   3486.23  91.869  13.417 89.417  19.996 2.452248       24.07979 
1 1 1 0  2  5  o 110.226 15.903 14206.90  3253.33  14299.94  3984.70  14020.86  5634.35  114.535 17.395 105.917 26.627 8.617767       31.80532 
1 1 1 0  2  6  o 94.686  22.305 10438.86  4154.50  10438.86  4154.50  0.0000    0.0000   94.686  22.305 ?       ?      ?              ?        
1 1 1 0  2  7  o 47.747  10.945 2466.47   1022.87  2466.47   1022.87  0.0000    0.0000   47.747  10.945 ?       ?      ?              ?        
1 1 1 0  2  8  o 59.077  13.731 3912.76   1591.55  3912.76   1591.55  0.0000    0.0000   59.077  13.731 ?       ?      ?              ?        
1 1 1 0  2  9  o 49.456  12.053 2866.66   1181.29  2866.66   1181.29  0.0000    0.0000   49.456  12.053 ?       ?      ?              ?        
1 1 1 0  2  10 o 44.676  12.231 2722.19   1124.87  2722.19   1124.87  0.0000    0.0000   44.676  12.231 ?       ?      ?              ?        
1 1 1 0  2  11 o 20.013  5.6477 452.227   235.910  452.227   235.910  0.0000    0.0000   20.013  5.6477 ?       ?      ?              ?        
1 1 1 0  2  12 o 37.640  11.095 2116.96   891.961  2116.96   891.961  0.0000    0.0000   37.640  11.095 ?       ?      ?              ?        
1 1 1 0  2  13 o 19.181  5.9598 450.828   252.733  450.828   252.733  0.0000    0.0000   19.181  5.9598 ?       ?      ?              ?        
1 1 1 0  2  14 o 15.283  5.3046 266.407   198.160  266.407   198.160  0.0000    0.0000   15.283  5.3046 ?       ?      ?              ?        
1 1 1 0  2  15 o 11.135  4.5586 91.888    161.604  91.888    161.604  0.0000    0.0000   11.135  4.5586 ?       ?      ?              ?        
1 1 1 0  2  16 o 9.5934  3.9074 80.677    117.968  80.677    117.968  0.0000    0.0000   9.5934  3.9074 ?       ?      ?              ?        
1 1 1 0  2  17 o 12.860  4.8289 251.526   168.291  251.526   168.291  0.0000    0.0000   12.860  4.8289 ?       ?      ?              ?        
1 1 1 0  2  18 o 10.828  4.6318 212.211   178.332  212.211   178.332  0.0000    0.0000   10.828  4.6318 ?       ?      ?              ?        
1 1 1 0  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  3  1  f 129.804 37.076 25603.28  10103.59 0.0000    0.0000   25603.28  10103.59 ?       ?      129.804 37.076 ?              ?        
1 1 1 0  3  2  o 139.420 22.489 21944.50  6132.12  21600.45  8671.17  22288.70  8673.09  138.221 31.999 140.620 31.608 -2.398788      44.97755 
1 1 1 0  3  3  o 259.705 39.031 99989.90  19649.39 98538.59  27787.58 101441.40 27789.30 256.929 55.684 262.481 54.710 -5.551605      78.06281 
1 1 1 0  3  4  o 133.485 14.015 18906.64  3741.20  18603.21  5290.44  19210.17  5291.28  132.349 19.987 134.622 19.652 -2.272232      28.03008 
1 1 1 0  3  5  o 164.343 27.522 37718.02  8584.02  37697.48  10512.32 37759.11  14870.56 173.579 31.439 155.107 45.182 18.47153       55.04337 
1 1 1 0  3  6  o 155.606 24.349 31400.55  7154.67  31503.89  8762.85  31193.90  12391.64 164.338 26.661 146.874 40.751 17.46478       48.69784 
1 1 1 0  3  7  o 101.888 14.726 12172.19  2792.28  11970.12  3419.98  12576.21  4835.97  104.137 16.421 99.640  24.450 4.496964       29.45247 
1 1 1 0  3  8  f 82.007  12.449 7210.24   2041.84  7210.24   2041.84  0.0000    0.0000   82.007  12.449 ?       ?      ?              ?        
1 1 1 0  3  9  o 54.222  8.4217 3149.09   913.273  3149.09   913.273  0.0000    0.0000   54.222  8.4217 ?       ?      ?              ?        
1 1 1 0  3  10 o 41.679  7.4646 2012.23   599.379  2012.23   599.379  0.0000    0.0000   41.679  7.4646 ?       ?      ?              ?        
1 1 1 0  3  11 o 23.531  4.7403 613.926   215.376  613.926   215.376  0.0000    0.0000   23.531  4.7403 ?       ?      ?              ?        
1 1 1 0  3  12 o 21.682  4.6512 525.737   195.655  525.737   195.655  0.0000    0.0000   21.682  4.6512 ?       ?      ?              ?        
1 1 1 0  3  13 f 23.003  4.9846 615.714   222.702  615.714   222.702  0.0000    0.0000   23.003  4.9846 ?       ?      ?              ?        
1 1 1 0  3  14 o 16.240  4.3631 307.176   144.734  307.176   144.734  0.0000    0.0000   16.240  4.3631 ?       ?      ?              ?        
1 1 1 0  3  15 o 14.019  4.4873 233.857   142.283  233.857   142.283  0.0000    0.0000   14.019  4.4873 ?       ?      ?              ?        
1 1 1 0  3  16 o 13.185  4.6292 222.270   151.121  222.270   151.121  0.0000    0.0000   13.185  4.6292 ?       ?      ?              ?        
1 1 1 0  3  17 o 13.649  4.9627 298.858   175.277  298.858   175.277  0.0000    0.0000   13.649  4.9627 ?       ?      ?              ?        
1 1 1 0  3  18 o 8.4873  3.9609 26.086    165.529  26.086    165.529  0.0000    0.0000   8.4873  3.9609 ?       ?      ?              ?        
1 1 1 0  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  4  1  o 232.776 45.787 79441.91  22103.54 77302.77  31257.71 81581.42  31260.55 228.796 65.165 236.756 64.339 -7.960434      91.57473 
1 1 1 0  4  2  o 276.961 87.437 137832.00 54166.35 0.0000    0.0000   137832.00 54166.35 ?       ?      276.961 87.437 ?              ?        
1 1 1 0  4  3  o 156.279 29.414 33580.73  9361.04  32447.17  13237.80 34714.53  13239.21 153.026 41.986 159.532 41.205 -6.505981      58.82729 
1 1 1 0  4  4  o 18.514  2.6479 357.058   94.653   398.788   133.643  315.055   134.078  19.649  3.5306 17.380  3.9473 2.269058       5.295876 
1 1 1 0  4  5  o 134.396 14.517 19760.83  3902.19  19725.07  5519.59  19796.56  5517.48  134.261 20.555 134.532 20.506 -0.2707672     29.03500 
1 1 1 0  4  6  o 170.501 26.554 37601.42  8537.94  37552.20  10455.55 37699.93  14791.68 179.367 29.146 161.636 44.396 17.73048       53.10785 
1 1 1 0  4  7  o 65.989  8.9740 4688.76   1093.78  4670.58   1339.27  4725.18   1895.44  67.076  9.9832 64.901  14.915 2.174736       17.94795 
1 1 1 0  4  8  o 99.549  16.291 13329.58  3053.88  13278.90  3740.25  13430.96  5289.42  104.189 18.633 94.909  26.728 9.279869       32.58220 
1 1 1 0  4  9  o 41.423  5.9239 1872.54   456.335  1861.29   559.058  1894.99   789.933  42.138  6.6336 40.708  9.8166 1.430603       11.84782 
1 1 1 0  4  10 o 48.957  9.2252 2989.85   870.136  2989.85   870.136  0.0000    0.0000   48.957  9.2252 ?       ?      ?              ?        
1 1 1 0  4  11 o 38.938  7.2706 1810.44   545.380  1810.44   545.380  0.0000    0.0000   38.938  7.2706 ?       ?      ?              ?        
1 1 1 0  4  12 o 16.256  4.1919 294.334   137.167  294.334   137.167  0.0000    0.0000   16.256  4.1919 ?       ?      ?              ?        
1 1 1 0  4  13 o 18.043  4.4869 373.128   161.232  373.128   161.232  0.0000    0.0000   18.043  4.4869 ?       ?      ?              ?        
1 1 1 0  4  14 o 28.759  6.1530 1054.32   343.201  1054.32   343.201  0.0000    0.0000   28.759  6.1530 ?       ?      ?              ?        
1 1 1 0  4  15 o 12.730  4.3959 184.206   135.999  184.206   135.999  0.0000    0.0000   12.730  4.3959 ?       ?      ?              ?        
1 1 1 0  4  16 o 11.066  4.1742 134.268   126.049  134.268   126.049  0.0000    0.0000   11.066  4.1742 ?       ?      ?              ?        
1 1 1 0  4  17 o 12.769  4.8204 251.791   168.172  251.791   168.172  0.0000    0.0000   12.769  4.8204 ?       ?      ?              ?        
1 1 1 0  4  18 o 7.8803  3.6858 0.9631    144.634  0.9631    144.634  0.0000    0.0000   7.8803  3.6858 ?       ?      ?              ?        
1 1 1 0  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  5  1  o 137.082 22.189 21322.06  5952.57  20938.48  8413.66  21706.48  8422.76  135.728 31.587 138.436 31.171 -2.708862      44.37818 
1 1 1 0  5  2  f 63.806  10.037 4369.48   1247.89  4441.72   1765.40  4297.35   1764.16  64.360  14.104 63.251  14.283 1.108864       20.07360 
1 1 1 0  5  3  o 32.035  5.3139 1076.52   334.580  1075.96   471.586  1077.10   474.765  32.028  7.4950 32.043  7.5349 -0.1509476E-01 10.62772 
1 1 1 0  5  4  o 28.612  4.0995 828.171   216.524  947.856   376.206  768.888   264.773  30.031  6.4557 27.193  5.0544 2.837692       8.198996 
1 1 1 0  5  5  o 104.444 11.012 11570.14  2300.26  11551.05  3252.51  11589.25  3253.62  104.354 15.584 104.534 15.562 -0.1806793     22.02393 
1 1 1 0  5  6  o 24.236  3.1249 608.670   145.878  599.338   207.136  617.853   205.479  24.039  4.4730 24.434  4.3650 -0.3951626     6.249840 
1 1 1 0  5  7  f 136.663 17.642 23492.48  4644.35  23680.25  6566.71  23304.55  6569.49  137.369 24.815 135.958 25.084 1.410934       35.28454 
1 1 1 0  5  8  o 102.905 21.039 20493.95  4673.66  20833.06  5723.20  19815.13  8097.42  115.877 25.396 89.932  33.550 25.94438       42.07782 
1 1 1 0  5  9  o 72.252  12.393 7440.58   1719.32  7582.52   2105.40  7156.42   2978.89  77.756  14.056 66.748  20.415 11.00818       24.78611 
1 1 1 0  5  10 o 47.148  7.9178 3075.36   727.856  3239.53   891.886  2748.00   1259.42  52.252  8.5345 42.044  13.339 10.20757       15.83554 
1 1 1 0  5  11 o 33.548  5.3621 1339.96   336.505  1329.69   412.522  1360.37   581.747  34.224  6.2574 32.871  8.7095 1.352852       10.72424 
1 1 1 0  5  12 f 13.064  3.9873 183.212   113.708  183.212   113.708  0.0000    0.0000   13.064  3.9873 ?       ?      ?              ?        
1 1 1 0  5  13 o 18.714  4.5392 404.497   168.150  404.497   168.150  0.0000    0.0000   18.714  4.5392 ?       ?      ?              ?        
1 1 1 0  5  14 o 18.590  4.7108 404.036   175.364  404.036   175.364  0.0000    0.0000   18.590  4.7108 ?       ?      ?              ?        
1 1 1 0  5  15 o 33.393  8.0182 1724.75   528.747  1724.75   528.747  0.0000    0.0000   33.393  8.0182 ?       ?      ?              ?        
1 1 1 0  5  16 o 12.581  4.6333 204.361   153.490  204.361   153.490  0.0000    0.0000   12.581  4.6333 ?       ?      ?              ?        
1 1 1 0  5  17 o 8.8972  3.9929 35.013    147.567  35.013    147.567  0.0000    0.0000   8.8972  3.9929 ?       ?      ?              ?        
1 1 1 0  5  18 o 8.3689  3.9179 42.217    164.062  42.217    164.062  0.0000    0.0000   8.3689  3.9179 ?       ?      ?              ?        
1 1 1 0  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  6  1  o 187.028 42.274 64518.20  17898.33 61363.76  25301.52 67677.90  25322.62 180.841 59.976 193.215 59.594 -12.37361      84.54893 
1 1 1 0  6  2  o 143.268 24.904 25400.92  7085.44  25713.37  10025.35 25089.11  10015.29 144.282 35.082 142.255 35.356 2.027054       49.80735 
1 1 1 0  6  3  o 81.803  13.233 7488.90   2118.42  7726.95   2993.89  7250.21   2997.93  83.226  18.469 80.381  18.956 2.844398       26.46585 
1 1 1 0  6  4  o 93.037  15.233 9858.75   2779.18  10187.26  3928.22  9529.52   3932.50  94.753  21.253 91.321  21.828 3.431633       30.46519 
1 1 1 0  6  5  o 51.115  5.3426 2648.73   546.135  2613.23   772.214  2684.26   772.489  50.768  7.6053 51.462  7.5054 -0.6945000     10.68512 
1 1 1 0  6  6  o 79.843  8.4026 6694.96   1341.42  6861.17   1896.51  6528.57   1897.59  80.885  11.723 78.800  12.041 2.085098       16.80514 
1 1 1 0  6  7  o 130.584 16.392 21188.76  4190.77  20461.11  5928.37  21915.55  5924.91  126.753 24.269 134.415 22.040 -7.662430      32.78342 
1 1 1 0  6  8  o 37.885  4.1842 1478.09   317.005  1501.97   448.581  1454.27   448.045  38.199  5.8716 37.571  5.9627 0.6281929      8.368382 
1 1 1 0  6  9  o 51.508  7.8444 3216.44   756.950  3365.39   927.036  2918.48   1311.17  55.417  8.3642 47.599  13.273 7.818001       15.68886 
1 1 1 0  6  10 o 21.663  3.7171 537.196   155.817  595.970   191.978  423.732   266.738  23.637  4.2155 19.690  6.1235 3.947346       7.434254 
1 1 1 0  6  11 o 24.436  4.0996 693.302   190.278  720.891   233.495  638.761   328.301  25.615  4.7320 23.256  6.6958 2.359638       8.199105 
1 1 1 0  6  12 f 10.032  2.6439 82.978    74.053   125.789   93.700   11.749    120.862  11.081  3.6486 8.9834  3.8272 2.098049       5.287734 
1 1 1 0  6  13 o 21.291  4.0096 549.176   167.533  517.730   206.350  609.990   286.963  20.842  5.0119 21.741  6.2602 -0.8996353     8.019287 
1 1 1 0  6  14 o 21.439  4.8358 536.772   202.410  536.772   202.410  0.0000    0.0000   21.439  4.8358 ?       ?      ?              ?        
1 1 1 0  6  15 o 25.100  5.7985 832.643   285.222  832.643   285.222  0.0000    0.0000   25.100  5.7985 ?       ?      ?              ?        
1 1 1 0  6  16 o 8.7865  3.7977 51.861    122.264  51.861    122.264  0.0000    0.0000   8.7865  3.7977 ?       ?      ?              ?        
1 1 1 0  6  17 o 10.027  4.2260 121.727   144.722  121.727   144.722  0.0000    0.0000   10.027  4.2260 ?       ?      ?              ?        
1 1 1 0  6  18 o 7.4526  3.5938 -4.9158   160.086  -4.9158   160.086  0.0000    0.0000   7.4526  3.5938 ?       ?      ?              ?        
1 1 1 0  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  7  1  o 95.180  15.232 10072.22  2832.00  9976.38   4003.80  10168.17  4006.29  94.691  21.617 95.670  21.466 -0.9794006     30.46455 
1 1 1 0  7  2  o 159.074 33.905 41926.93  11680.19 42259.38  16521.52 41594.73  16515.03 159.896 47.899 158.251 47.999 1.644943       67.80959 
1 1 1 0  7  3  o 63.194  10.061 4341.72   1240.97  4378.71   1754.92  4304.71   1755.06  63.481  14.180 62.908  14.277 0.5738525      20.12202 
1 1 1 0  7  4  o 152.471 31.760 37147.54  10342.39 36582.63  14620.00 37713.43  14632.70 150.976 45.020 153.966 44.810 -2.990280      63.51958 
1 1 1 0  7  5  o 141.550 20.799 24031.99  5481.58  23935.57  9496.21  24080.17  6712.88  135.824 34.801 147.276 22.790 -11.45236      41.59901 
1 1 1 0  7  6  o 105.001 11.486 12136.03  2412.05  12181.71  3410.09  12090.29  3412.21  105.222 16.204 104.780 16.283 0.4419022      22.97191 
1 1 1 0  7  7  o 90.393  9.8637 8954.45   1783.01  9091.28   2521.04  8817.52   2522.06  91.151  13.829 89.634  14.069 1.517784       19.72730 
1 1 1 0  7  8  o 34.451  3.8631 1220.68   266.131  1249.06   377.773  1192.72   374.974  34.856  5.4191 34.045  5.5070 0.8103065      7.726157 
1 1 1 0  7  9  o 46.213  5.5423 2410.60   501.889  2470.23   710.648  2351.27   708.912  47.191  7.5295 45.236  8.1348 1.954540       11.08461 
1 1 1 0  7  10 o 17.003  3.1881 317.127   108.029  338.373   134.370  278.295   181.663  17.785  3.8862 16.221  5.0549 1.564013       6.376129 
1 1 1 0  7  11 o 15.045  2.9990 245.690   91.647   249.707   113.697  238.239   154.853  15.182  3.7634 14.909  4.6705 0.2724867      5.998013 
1 1 1 0  7  12 o 10.312  2.7438 92.025    75.649   96.154    96.176   85.325    122.508  10.156  3.6786 10.468  4.0722 -0.3115692     5.487699 
1 1 1 0  7  13 o 15.805  3.4778 288.238   116.362  278.853   140.807  308.453   206.650  15.520  4.3575 16.090  5.4215 -0.5708170     6.955646 
1 1 1 0  7  14 f 13.109  3.2361 188.602   105.621  223.602   133.076  129.022   173.627  14.005  4.3203 12.213  4.8192 1.791407       6.472175 
1 1 1 0  7  15 o 22.470  5.5285 654.599   246.748  654.599   246.748  0.0000    0.0000   22.470  5.5285 ?       ?      ?              ?        
1 1 1 0  7  16 o 20.136  6.4610 803.162   294.845  803.162   294.845  0.0000    0.0000   20.136  6.4610 ?       ?      ?              ?        
1 1 1 0  7  17 o 11.313  4.7037 215.162   175.650  215.162   175.650  0.0000    0.0000   11.313  4.7037 ?       ?      ?              ?        
1 1 1 0  7  18 o 6.0788  3.0405 -169.7128 154.553  -169.7128 154.553  0.0000    0.0000   6.0788  3.0405 ?       ?      ?              ?        
1 1 1 0  8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  8  1  o 37.954  6.1962 1531.01   460.829  1535.31   651.664  1526.70   651.757  38.009  8.7533 37.898  8.7722 0.1102333      12.39235 
1 1 1 0  8  2  o 53.705  8.5538 3090.51   896.737  3173.82   1267.88  3007.13   1268.47  54.464  11.966 52.947  12.226 1.517403       17.10755 
1 1 1 0  8  3  o 37.481  6.0980 1486.08   447.738  1551.00   634.905  1421.85   631.504  38.315  8.5071 36.647  8.7390 1.667820       12.19593 
1 1 1 0  8  4  o 133.134 23.564 22390.50  6260.58  22767.73  8849.54  22012.55  8858.08  134.470 33.123 131.797 33.526 2.673111       47.12832 
1 1 1 0  8  5  o 54.894  8.8816 3297.00   954.085  3374.48   1346.69  3218.92   1351.88  55.590  12.425 54.199  12.694 1.390865       17.76329 
1 1 1 0  8  6  o 92.171  13.516 10082.24  2313.35  9439.41   4007.27  10403.55  2833.11  86.547  22.824 97.795  14.485 -11.24828      27.03222 
1 1 1 0  8  7  o 45.528  4.9724 2162.09   452.659  2207.41   639.140  2116.49   641.179  46.030  6.9426 45.025  7.1202 1.004765       9.944700 
1 1 1 0  8  8  o 9.8490  2.0909 97.700    45.413   70.224    64.164   125.276   64.282   8.7532  3.0196 10.945  2.8929 -2.191604      4.181719 
1 1 1 0  8  9  o 12.758  2.4745 173.427   66.980   225.862   93.574   118.334   95.916   14.541  3.2940 10.975  3.6936 3.565643       4.949042 
1 1 1 0  8  10 o 30.443  5.0546 1174.65   301.152  1311.52   370.475  908.054   517.059  34.497  5.3697 26.389  8.5652 8.108082       10.10926 
1 1 1 0  8  11 o 26.922  4.5195 853.629   230.143  844.662   282.032  871.500   398.152  27.307  5.3555 26.538  7.2816 0.7688446      9.039006 
1 1 1 0  8  12 o 9.0977  2.5532 48.676    67.172   26.687    83.850   88.067    112.227  7.9284  3.2691 10.267  3.9228 -2.338692      5.106416 
1 1 1 0  8  13 o 7.8144  2.3490 -19.8156  71.654   66.360    93.170   -144.5748 112.104  9.2394  3.5632 6.3894  3.0619 2.849999       4.698081 
1 1 1 0  8  14 o 18.444  3.8119 419.927   147.242  438.179   182.658  386.058   248.816  19.257  4.7680 17.632  5.9490 1.624502       7.623881 
1 1 1 0  8  15 o 10.027  2.9420 64.131    93.875   58.006    117.503  74.938    156.083  9.4441  3.8791 10.609  4.4243 -1.164808      5.884079 
1 1 1 0  8  16 o 13.354  3.6716 239.451   136.158  165.453   169.115  375.807   229.566  11.593  4.6943 15.115  5.6469 -3.521850      7.343291 
1 1 1 0  8  17 o 8.3980  3.9187 27.839    161.928  27.839    161.928  0.0000    0.0000   8.3980  3.9187 ?       ?      ?              ?        
1 1 1 0  8  18 o 7.1551  3.5102 -64.5704  171.766  -64.5704  171.766  0.0000    0.0000   7.1551  3.5102 ?       ?      ?              ?        
1 1 1 0  9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  9  1  o 150.828 42.966 34476.36  13587.51 0.0000    0.0000   34476.36  13587.51 ?       ?      150.828 42.966 ?              ?        
1 1 1 0  9  2  o 123.048 22.218 19621.84  5486.94  19586.32  7754.85  19657.44  7764.56  122.932 31.422 123.165 31.420 -0.2332764     44.43592 
1 1 1 0  9  3  o 63.302  9.9975 4326.41   1234.11  4530.98   1748.74  4123.44   1741.88  64.874  13.896 61.730  14.377 3.144512       19.99507 
1 1 1 0  9  4  o 152.664 36.410 47349.01  13181.14 47343.16  18640.40 47354.85  18641.50 152.653 51.491 152.674 51.492 -0.2082825E-01 72.82020 
1 1 1 0  9  5  o 104.493 19.165 14413.61  4039.27  14388.94  5707.52  14438.37  5717.27  104.405 27.098 104.580 27.110 -0.1747589     38.33051 
1 1 1 0  9  6  o 117.326 26.785 25611.62  7171.71  26811.26  10137.62 24409.76  10147.05 121.073 37.767 113.578 37.992 7.494835       53.56960 
1 1 1 0  9  7  o 66.187  9.8713 5245.67   1218.95  5032.09   2110.93  5352.51   1493.02  62.616  16.591 69.758  10.701 -7.142097      19.74261 
1 1 1 0  9  8  o 45.533  5.1239 2227.26   466.611  2228.66   659.043  2225.87   660.736  45.553  7.2339 45.513  7.2587 0.3934097E-01  10.24782 
1 1 1 0  9  9  o 21.569  3.0133 495.087   127.340  559.117   179.750  430.575   180.425  23.246  3.8662 19.892  4.6230 3.353750       6.026598 
1 1 1 0  9  10 o 13.347  2.5876 191.364   71.543   165.865   102.786  215.326   99.642   12.542  3.7828 14.151  3.5318 -1.609119      5.175229 
1 1 1 0  9  11 o 27.932  4.7412 944.756   252.154  944.241   310.147  945.760   433.073  28.647  5.6139 27.217  7.6421 1.430519       9.482472 
1 1 1 0  9  12 o 17.114  3.4841 348.322   124.969  379.581   155.536  291.383   209.914  18.264  4.3248 15.963  5.4638 2.301249       6.968249 
1 1 1 0  9  13 o 12.008  3.0648 150.132   93.971   171.391   117.700  112.757   156.062  12.455  4.0887 11.560  4.5666 0.8942766      6.129550 
1 1 1 0  9  14 o 26.169  5.1556 1114.29   296.917  1270.81   365.930  812.627   507.997  30.982  6.1226 21.355  8.2966 9.626614       10.31118 
1 1 1 0  9  15 o 9.3721  2.9036 35.021    104.690  73.871    132.446  -29.6699  170.909  9.7169  4.0659 9.0273  4.1462 0.6896610      5.807104 
1 1 1 0  9  16 f 17.846  4.5978 586.366   201.622  471.250   244.197  832.910   357.372  16.324  5.8687 19.368  7.0794 -3.043737      9.195590 
1 1 1 0  9  17 o 10.524  3.2285 222.310   142.528  320.903   172.878  13.083    251.841  12.259  4.8178 8.7892  4.2989 3.469619       6.456948 
1 1 1 0  10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  10 1  o 117.434 28.546 16779.08  6639.04  0.0000    0.0000   16779.08  6639.04  ?       ?      117.434 28.546 ?              ?        
1 1 1 0  10 2  o 53.711  8.5049 3080.41   890.970  2997.45   1256.33  3164.36   1263.75  52.956  12.123 54.466  11.931 -1.510254      17.00978 
1 1 1 0  10 3  o 37.984  6.2251 1534.37   463.704  1512.84   658.326  1555.56   653.256  37.708  8.8766 38.260  8.7299 -0.5519791     12.45015 
1 1 1 0  10 4  o 21.525  3.9391 486.262   171.106  519.322   242.098  453.267   241.864  22.227  5.4806 20.824  5.6594 1.402769       7.878208 
1 1 1 0  10 5  o 47.220  7.6954 2432.06   711.854  2438.07   1004.37  2426.00   1009.08  47.287  10.850 47.152  10.916 0.1354752      15.39084 
1 1 1 0  10 6  o 88.220  21.338 16209.92  4530.78  15832.80  6402.21  16588.28  6412.79  86.851  30.151 89.589  30.201 -2.737930      42.67579 
1 1 1 0  10 7  o 18.381  3.1757 346.613   110.275  397.129   193.850  322.444   134.084  19.295  4.9871 17.466  3.9330 1.829016       6.351318 
1 1 1 0  10 8  o 18.674  3.4310 385.370   124.201  356.973   219.848  398.682   150.523  18.096  5.5480 19.253  4.0381 -1.156591      6.861976 
1 1 1 0  10 9  o 36.439  4.4618 1468.70   318.510  1425.25   449.404  1512.56   451.487  35.570  6.5587 37.308  6.0509 -1.737209      8.923573 
1 1 1 0  10 10 o 9.1994  2.2181 76.019    51.049   36.416    71.522   117.146   72.886   7.8106  3.0895 10.588  3.1836 -2.777503      4.436256 
1 1 1 0  10 11 o 18.890  3.1711 404.242   118.303  362.551   168.637  444.642   166.004  17.839  4.6714 19.940  4.2899 -2.100338      6.342288 
1 1 1 0  10 12 f 22.822  4.2446 652.422   189.910  635.790   234.003  684.513   325.046  23.000  5.2081 22.644  6.7038 0.3564625      8.489143 
1 1 1 0  10 13 o 31.876  5.9516 1516.55   383.169  1599.13   470.628  1354.19   659.917  35.287  6.9159 28.465  9.6879 6.821959       11.90313 
1 1 1 0  10 14 o 10.630  2.9976 83.389    96.328   38.620    127.706  142.486   146.723  9.3928  3.9648 11.867  4.4971 -2.474419      5.995231 
1 1 1 0  10 15 o 12.069  3.3562 167.977   122.759  221.291   154.283  75.982    202.666  13.135  4.6708 11.004  4.8207 2.130651       6.712347 
1 1 1 0  10 16 o 14.139  3.8214 365.766   163.011  442.995   202.700  224.379   274.264  16.162  5.3686 12.115  5.4397 4.047882       7.642738 
1 1 1 0  10 17 o 13.005  3.9644 452.606   188.542  442.032   234.185  472.088   317.869  13.525  5.5067 12.485  5.7046 1.040060       7.928767 
1 1 1 0  11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  11 1  o 74.423  17.199 6259.55   2508.57  0.0000    0.0000   6259.55   2508.57  ?       ?      74.423  17.199 ?              ?        
1 1 1 0  11 2  o 109.110 20.333 16159.26  4504.02  15391.03  6363.81  16930.31  6375.49  105.950 29.128 112.270 28.379 -6.319885      40.66696 
1 1 1 0  11 3  f 69.611  11.481 5509.01   1569.83  5229.27   2221.59  5787.99   2218.57  67.669  16.552 71.552  15.914 -3.882828      22.96146 
1 1 1 0  11 4  o 30.876  5.2305 1014.39   318.786  1003.45   453.414  1025.08   448.292  30.705  7.4575 31.046  7.3361 -0.3409653     10.46102 
1 1 1 0  11 5  o 45.782  7.7114 2371.86   697.547  2602.23   985.392  2140.47   987.571  48.192  10.519 43.371  11.279 4.820896       15.42289 
1 1 1 0  11 6  o 57.729  10.299 4148.17   1189.02  4154.79   1678.10  4141.50   1684.97  57.803  14.531 57.655  14.598 0.1482162      20.59762 
1 1 1 0  11 7  o 35.100  6.2404 1424.62   437.911  1489.39   617.333  1359.02   621.285  35.975  8.6799 34.225  8.9683 1.749180       12.48079 
1 1 1 0  11 8  o 51.495  8.5876 3551.21   833.335  4137.04   1443.43  3258.31   1020.61  52.657  13.608 50.332  10.479 2.324940       17.17526 
1 1 1 0  11 9  o 17.595  3.3571 319.207   114.436  417.915   204.877  274.445   137.965  19.329  5.1902 15.861  4.2592 3.468198       6.714132 
1 1 1 0  11 10 o 12.622  2.5000 168.416   68.080   107.000   94.191   235.597   98.513   10.509  3.6567 14.736  3.4102 -4.226986      5.000047 
1 1 1 0  11 11 o 38.148  5.6796 1987.04   419.658  1925.82   593.273  2048.34   593.699  37.353  8.1690 38.944  7.8928 -1.590950      11.35913 
1 1 1 0  11 12 o 36.416  5.3912 1789.19   380.302  1976.93   537.956  1601.63   537.700  38.977  7.1650 33.856  8.0575 5.121075       10.78244 
1 1 1 0  11 13 o 34.386  7.0113 2125.88   520.346  2210.63   638.290  1957.95   898.460  38.782  8.4667 29.991  11.178 8.791241       14.02252 
1 1 1 0  11 14 o 10.632  2.9534 74.118    104.893  185.224   132.370  -113.3956 171.964  12.705  4.3388 8.5586  4.0081 4.146189       5.906816 
1 1 1 0  11 15 o 16.800  4.4359 576.792   193.599  498.302   239.296  725.507   329.385  16.183  5.8104 17.416  6.7044 -1.232786      8.871859 
1 1 1 0  11 16 o 10.489  3.2282 143.528   127.739  175.534   156.208  78.919    221.936  10.958  4.4834 10.020  4.6458 0.9371538      6.456353 
1 1 1 0  11 17 o 11.197  3.6204 381.111   174.314  280.340   217.216  563.399   292.148  10.409  4.7402 11.986  5.4736 -1.577598      7.240818 
1 1 1 0  12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  12 1  o 92.064  22.729 10465.43  4159.91  0.0000    0.0000   10465.43  4159.91  ?       ?      92.064  22.729 ?              ?        
1 1 1 0  12 2  o 115.952 23.601 20651.79  5769.02  20470.62  8152.38  20833.53  8164.88  115.328 33.413 116.576 33.341 -1.248421      47.20198 
1 1 1 0  12 3  o 66.177  10.991 5012.93   1430.15  5171.68   2021.63  4853.90   2023.44  67.336  15.352 65.019  15.731 2.317009       21.98104 
1 1 1 0  12 4  o 37.936  6.3838 1586.74   477.419  1632.42   677.985  1541.81   672.395  38.499  8.9714 37.373  9.0843 1.125256       12.76756 
1 1 1 0  12 5  o 54.706  9.5294 3597.51   1037.53  3327.80   1468.00  3866.71   1466.59  52.387  13.814 57.024  13.131 -4.637714      19.05875 
1 1 1 0  12 6  o 53.895  9.9047 3744.68   1077.43  3756.44   1520.90  3732.84   1526.53  54.015  13.973 53.775  14.042 0.2404518      19.80937 
1 1 1 0  12 7  o 19.137  3.8982 407.496   157.615  379.853   225.751  433.786   220.157  18.546  5.6088 19.728  5.4153 -1.181971      7.796402 
1 1 1 0  12 8  o 32.710  5.0080 1197.90   304.481  1382.61   527.087  1105.39   373.014  34.065  7.8914 31.354  6.1681 2.710602       10.01595 
1 1 1 0  12 9  o 26.229  4.1510 723.402   203.794  1047.04   358.690  569.127   247.649  30.125  6.1612 22.334  5.5646 7.791023       8.302090 
1 1 1 0  12 10 o 40.299  7.3113 2398.68   579.746  2317.07   1001.00  2439.87   711.163  37.186  11.902 43.412  8.4951 -6.226173      14.62269 
1 1 1 0  12 11 o 10.202  2.5312 18.048    71.846   232.021   127.756  -80.9262  86.888   14.347  4.1903 6.0566  2.8404 8.290135       5.062315 
1 1 1 0  12 12 o 9.4481  2.5559 62.097    71.144   0.4306    99.502   126.598   101.762  7.8814  3.4163 11.015  3.8026 -3.133389      5.111808 
1 1 1 0  12 13 o 23.762  4.6566 773.804   222.654  754.599   274.578  810.679   380.481  24.231  5.7519 23.293  7.3248 0.9378567      9.313290 
1 1 1 0  12 14 o 12.885  3.3743 199.056   121.819  266.251   154.158  87.328    198.785  14.455  4.6754 11.315  4.8666 3.139407       6.748579 
1 1 1 0  12 15 o 12.303  3.5115 191.223   128.734  154.433   160.521  257.532   215.504  11.366  4.5836 13.240  5.3209 -1.874049      7.022934 
1 1 1 0  12 16 o 8.4415  2.7888 -8.5802   126.145  117.241   158.376  -226.9044 208.623  9.5419  4.2178 7.3411  3.6495 2.200810       5.577529 
1 1 1 0  12 17 o 7.3840  2.5984 -139.2352 122.991  -326.7524 150.189  242.543   214.300  5.3379  2.7091 9.4300  4.4348 -4.092138      5.196744 
1 1 1 0  13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  13 1  o 50.557  11.677 2816.88   1156.90  0.0000    0.0000   2816.88   1156.90  ?       ?      50.557  11.677 ?              ?        
1 1 1 0  13 2  o 17.987  3.5242 338.533   131.635  373.934   184.715  302.002   187.639  18.848  4.8666 17.126  5.0988 1.721466       7.048463 
1 1 1 0  13 3  o 22.246  4.0877 528.090   183.525  525.061   258.509  531.167   260.590  22.183  5.7716 22.308  5.7902 -0.1251507     8.175386 
1 1 1 0  13 4  o 36.399  6.1891 1470.98   445.140  1524.49   631.898  1418.28   627.176  37.086  8.6741 35.713  8.8305 1.372833       12.37811 
1 1 1 0  13 5  o 41.499  7.2321 2010.66   596.388  2012.41   845.709  2008.93   841.150  41.506  10.249 41.491  10.207 0.1497650E-01  14.46429 
1 1 1 0  13 6  o 7.6775  2.1235 -16.1321  55.691   -108.8585 74.653   100.228   83.627   5.1569  2.4785 10.198  3.4488 -5.041210      4.247048 
1 1 1 0  13 7  o 55.817  12.789 5750.46   1632.09  5581.65   2303.85  5920.54   2312.42  54.769  18.095 56.865  18.078 -2.095661      25.57816 
1 1 1 0  13 8  o 13.853  3.3080 194.433   108.609  189.584   148.561  200.001   159.181  13.665  4.5968 14.041  4.7581 -0.3760204     6.615962 
1 1 1 0  13 9  f 23.798  3.9432 615.186   177.043  818.517   307.643  514.502   216.484  26.389  5.9688 21.207  5.1544 5.181578       7.886371 
1 1 1 0  13 10 o 17.391  3.5850 365.453   130.877  283.251   234.982  402.421   157.581  15.937  5.7534 18.845  4.2788 -2.907337      7.170063 
1 1 1 0  13 11 o 31.082  5.9393 1445.91   367.416  1520.46   636.529  1408.66   449.939  29.856  9.4841 32.308  7.1523 -2.451612      11.87869 
1 1 1 0  13 12 o 16.371  3.5460 315.029   124.925  304.873   206.365  320.903   156.951  16.122  5.4179 16.621  4.5764 -0.4995346     7.092020 
1 1 1 0  13 13 o 7.6199  2.3720 -25.9416  73.516   37.700    100.729  -98.4789  107.539  8.6111  3.5696 6.6287  3.1247 1.982363       4.744044 
1 1 1 0  13 14 o 18.531  4.1067 538.665   181.312  631.961   225.070  366.191   306.017  21.551  5.2665 15.511  6.3027 6.039655       8.213399 
1 1 1 0  13 15 o 9.5311  2.9926 47.944    107.803  -0.6896   132.389  143.652   185.719  8.1560  3.7090 10.906  4.6973 -2.750073      5.985106 
1 1 1 0  13 16 f 9.9409  3.1608 81.588    132.861  -106.1792 167.782  397.287   217.556  7.2126  3.5238 12.669  5.2484 -5.456598      6.321612 
1 1 1 0  14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  14 1  o 27.891  6.8666 839.747   380.469  0.0000    0.0000   839.747   380.469  ?       ?      27.891  6.8666 ?              ?        
1 1 1 0  14 2  o 79.752  23.277 9893.09   3943.49  0.0000    0.0000   9893.09   3943.49  ?       ?      79.752  23.277 ?              ?        
1 1 1 0  14 3  o 56.943  10.343 4116.69   1186.68  4415.13   1675.43  3816.25   1681.03  59.373  14.283 54.513  14.964 4.860710       20.68642 
1 1 1 0  14 4  o 14.058  3.0354 203.542   93.445   221.045   129.348  184.435   135.146  14.542  4.2075 13.574  4.3763 0.9676285      6.070825 
1 1 1 0  14 5  o 10.807  2.6144 109.937   68.662   84.032    96.546   136.449   97.670   10.007  3.6763 11.606  3.7181 -1.599246      5.228710 
1 1 1 0  14 6  o 29.987  5.5511 1061.49   337.482  1142.49   476.925  980.265   477.618  31.215  7.6897 28.759  8.0080 2.455917       11.10226 
1 1 1 0  14 7  o 19.319  4.0197 426.498   165.722  410.476   231.276  443.406   237.585  18.975  5.6633 19.663  5.7061 -0.6882229     8.039447 
1 1 1 0  14 8  o 34.925  6.8428 1628.60   494.451  1620.39   696.862  1636.92   701.680  34.848  9.6621 35.002  9.6921 -0.1544075     13.68550 
1 1 1 0  14 9  o 37.270  6.4287 1851.56   455.111  2122.43   789.527  1716.76   556.953  37.855  10.199 36.686  7.8292 1.168587       12.85749 
1 1 1 0  14 10 o 13.395  3.0762 202.619   97.586   108.700   167.065  251.260   120.229  11.840  4.7097 14.950  3.9586 -3.109109      6.152415 
1 1 1 0  14 11 o 31.585  6.0136 1449.72   372.343  1748.39   646.390  1301.41   455.507  32.600  9.3980 30.570  7.5054 2.029818       12.02720 
1 1 1 0  14 12 o 29.399  5.6057 1246.96   327.641  1290.96   567.728  1224.99   401.192  28.240  8.9555 30.559  6.7449 -2.319307      11.21131 
1 1 1 0  14 13 o 18.131  4.0692 414.418   157.728  497.207   279.761  375.838   190.974  18.972  6.3073 17.290  5.1430 1.681566       8.138328 
1 1 1 0  14 14 f 11.366  3.1229 178.787   102.382  152.318   145.764  204.561   143.836  10.819  4.3662 11.912  4.4660 -1.092837      6.245713 
1 1 1 0  14 15 o 8.5357  2.8545 -29.6302  120.845  -31.0642  146.006  -26.5112  215.329  7.9418  3.7109 9.1295  4.3384 -1.187777      5.708984 
1 1 1 0  14 16 o 7.7498  2.6590 -55.3875  126.956  -40.4157  161.945  -79.2601  204.495  7.6040  3.6536 7.8956  3.8644 -0.2916489     5.318083 
1 1 1 0  15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  15 1  o 72.562  22.636 9144.80   3641.82  0.0000    0.0000   9144.80   3641.82  ?       ?      72.562  22.636 ?              ?        
1 1 1 0  15 2  o 34.597  8.5455 1353.59   587.809  0.0000    0.0000   1353.59   587.809  ?       ?      34.597  8.5455 ?              ?        
1 1 1 0  15 3  o 20.729  3.9624 467.288   168.452  498.524   236.159  434.934   240.349  21.410  5.4893 20.049  5.7156 1.360844       7.924705 
1 1 1 0  15 4  o 34.020  6.3602 1452.73   440.237  1560.51   623.335  1345.45   621.847  35.436  8.8279 32.604  9.1584 2.831982       12.72035 
1 1 1 0  15 5  o 48.292  9.9491 3528.27   1019.62  3526.45   1444.84  3530.08   1439.11  48.245  14.092 48.340  14.048 -0.9531403E-01 19.89816 
1 1 1 0  15 6  o 40.324  8.9043 2725.26   797.282  2820.57   1129.24  2630.53   1125.82  41.199  12.563 39.450  12.622 1.748714       17.80870 
1 1 1 0  15 7  o 32.429  6.3482 1384.95   429.816  1581.85   607.312  1187.35   608.392  35.055  8.7027 29.803  9.2446 5.252007       12.69645 
1 1 1 0  15 8  o 13.828  3.1707 163.074   116.308  358.282   168.357  -15.1498  160.866  17.849  4.6644 9.8081  4.2959 8.040412       6.341304 
1 1 1 0  15 9  f 9.0588  2.6764 28.612    82.233   -39.9521  135.675  68.426    103.388  8.5508  3.8336 9.5668  3.7356 -1.015909      5.352716 
1 1 1 0  15 10 o 19.942  3.9420 489.950   157.487  486.556   278.703  491.541   190.884  19.442  6.2862 20.442  4.7581 -0.9997482     7.883916 
1 1 1 0  15 11 o 26.171  4.8456 917.520   251.274  828.325   439.041  960.968   306.421  24.078  7.8964 28.265  5.6184 -4.187521      9.691233 
1 1 1 0  15 12 o 10.462  2.8586 19.034    93.077   231.240   154.832  -101.0463 116.471  13.985  4.6929 6.9400  3.2655 7.044572       5.717272 
1 1 1 0  15 13 o 23.729  5.7116 1313.01   343.669  1239.65   591.319  1350.42   422.319  20.488  8.5835 26.970  7.5374 -6.481268      11.42321 
1 1 1 0  15 14 o 9.7190  3.1104 9.2488    109.532  143.817   225.663  -32.2251  125.279  11.680  5.1027 7.7580  3.5582 3.922033       6.220791 
1 1 1 0  15 15 o 9.7506  3.1031 131.658   124.384  126.375   155.124  141.171   208.157  9.5884  4.2087 9.9127  4.5613 -0.3242273     6.206295 
1 1 1 0  15 16 o 8.4762  2.8206 125.333   130.916  199.628   159.964  -25.3656  227.824  9.3214  4.1720 7.6310  3.7969 1.690378       5.641133 
1 1 1 0  16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  16 1  o 6.4500  2.6826 10.170    57.161   0.0000    0.0000   10.170    57.161   ?       ?      6.4500  2.6826 ?              ?        
1 1 1 0  16 2  o 23.068  6.2320 607.232   294.314  0.0000    0.0000   607.232   294.314  ?       ?      23.068  6.2320 ?              ?        
1 1 1 0  16 3  o 46.360  9.7759 3368.97   975.078  3417.70   1375.60  3319.75   1382.36  46.828  13.771 45.892  13.879 0.9359360      19.55184 
1 1 1 0  16 4  o 30.607  5.5124 1090.38   340.139  946.793   480.104  1235.08   481.961  28.449  8.0669 32.766  7.5147 -4.316738      11.02474 
1 1 1 0  16 5  o 41.758  9.6360 3185.50   925.887  3082.91   1311.48  3287.45   1307.33  40.851  13.658 42.666  13.596 -1.815063      19.27192 
1 1 1 0  16 6  o 18.982  3.9860 402.940   164.573  312.705   227.191  502.564   238.720  16.984  5.6848 20.980  5.5888 -3.996353      7.971948 
1 1 1 0  16 7  o 6.6055  2.0891 -30.3263  56.806   -45.2341  81.750   -16.4071  78.993   6.4014  2.9124 6.8097  2.9958 -0.4082508     4.178173 
1 1 1 0  16 8  o 17.581  3.8064 358.395   156.014  197.584   221.958  515.433   219.339  14.303  5.5043 20.859  5.2589 -6.556543      7.612704 
1 1 1 0  16 9  o 28.364  6.2181 1260.93   394.168  1078.60   555.783  1445.45   559.107  25.933  8.8904 30.795  8.6959 -4.862579      12.43618 
1 1 1 0  16 10 o 29.488  5.5583 1258.02   323.154  1356.67   557.252  1208.03   396.662  28.865  8.8301 30.110  6.7533 -1.245167      11.11651 
1 1 1 0  16 11 o 15.417  3.3836 296.324   125.246  94.925    229.514  381.733   149.462  12.599  5.3166 18.235  4.1867 -5.635471      6.767122 
1 1 1 0  16 12 o 17.956  4.0838 403.588   157.437  517.884   282.084  351.877   189.738  19.228  6.3306 16.684  5.1606 2.544464       8.167545 
1 1 1 0  16 13 o 11.713  3.4782 189.346   134.110  168.474   246.559  198.115   159.820  11.592  5.1846 11.833  4.6379 -0.2408552     6.956351 
1 1 1 0  16 14 o 10.020  3.1313 89.537    120.320  -34.5060  249.849  126.989   137.287  9.7280  4.6370 10.312  4.2094 -0.5841293     6.262624 
1 1 1 0  16 15 o 11.856  3.7193 312.312   165.490  452.998   306.783  254.572   196.539  12.374  5.6345 11.337  4.8565 1.036477       7.438629 
1 1 1 0  17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  17 1  o 14.412  4.4718 216.976   142.345  0.0000    0.0000   216.976   142.345  ?       ?      14.412  4.4718 ?              ?        
1 1 1 0  17 2  o 8.6901  3.2798 57.112    77.844   0.0000    0.0000   57.112    77.844   ?       ?      8.6901  3.2798 ?              ?        
1 1 1 0  17 3  o 30.071  5.7673 1136.46   355.953  1185.15   500.942  1086.80   505.883  30.817  8.0423 29.325  8.2685 1.491650       11.53459 
1 1 1 0  17 4  o 48.121  14.832 9544.11   2684.64  9277.37   3794.99  9811.30   3798.32  47.328  20.794 48.914  21.155 -1.586048      29.66338 
1 1 1 0  17 5  o 37.783  7.7005 2064.02   614.259  1988.62   869.470  2139.15   867.918  36.938  10.971 38.628  10.809 -1.689743      15.40098 
1 1 1 0  17 6  o 31.124  6.3603 1362.15   419.842  1487.49   596.742  1239.30   590.795  32.746  8.8853 29.502  9.1031 3.244255       12.72069 
1 1 1 0  17 7  o 24.002  4.9422 744.196   253.995  867.123   364.027  627.576   354.565  26.004  6.8893 22.000  7.0880 4.004768       9.884447 
1 1 1 0  17 8  o 26.110  5.5752 964.187   316.221  901.389   445.904  1027.72   448.516  25.165  7.9320 27.056  7.8368 -1.891565      11.15044 
1 1 1 0  17 9  o 19.015  4.2997 444.867   185.296  406.569   262.938  482.652   261.168  18.276  6.1157 19.755  6.0454 -1.479239      8.599305 
1 1 1 0  17 10 o 23.286  5.1933 764.815   275.177  911.600   389.576  618.656   388.743  25.601  7.2692 20.972  7.4188 4.629185       10.38654 
1 1 1 0  17 11 o 10.168  2.9541 63.457    92.407   102.990   157.000  42.503    114.304  11.230  4.5315 9.1065  3.7910 2.123524       5.908168 
1 1 1 0  17 12 o 18.174  4.3546 502.393   178.214  691.837   318.284  415.876   215.092  19.696  6.7280 16.652  5.5302 3.044342       8.709120 
1 1 1 0  17 13 o 17.738  4.4538 586.797   204.561  520.725   355.305  619.557   250.185  15.967  6.6685 19.509  5.9056 -3.541505      8.907580 
1 1 1 0  17 14 o 9.8533  3.1827 110.960   136.952  55.075    256.393  133.270   161.998  9.7340  4.6557 9.9727  4.3409 -0.2387104     6.365460 
1 1 1 0  17 15 o 6.9879  2.4692 -116.5243 119.682  46.077    218.049  -186.6310 143.177  8.1002  3.9700 5.8756  2.9370 2.224665       4.938333 
1 1 1 0  18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  18 1  o 22.067  6.0429 558.096   274.532  0.0000    0.0000   558.096   274.532  ?       ?      22.067  6.0429 ?              ?        
1 1 1 0  18 2  o 5.5773  2.4576 -14.3232  53.362   0.0000    0.0000   -14.3232  53.362   ?       ?      5.5773  2.4576 ?              ?        
1 1 1 0  18 3  o 22.118  6.1686 569.154   283.170  0.0000    0.0000   569.154   283.170  ?       ?      22.118  6.1686 ?              ?        
1 1 1 0  18 4  o 31.746  6.1391 1292.77   400.997  1296.81   564.989  1288.67   569.227  31.823  8.6502 31.669  8.7136 0.1543980      12.27814 
1 1 1 0  18 5  o 13.283  3.2481 172.126   106.448  239.199   158.252  116.701   143.856  14.826  4.7310 11.740  4.4519 3.085916       6.496284 
1 1 1 0  18 6  o 18.041  3.7957 386.348   155.910  523.997   213.185  228.073   228.601  21.151  5.0992 14.931  5.6239 6.219866       7.591406 
1 1 1 0  18 7  o 11.370  2.7577 103.673   91.883   236.811   120.737  -79.5418  141.635  14.518  4.0205 8.2221  3.7756 6.296050       5.515405 
1 1 1 0  18 8  o 29.953  6.6573 1436.46   445.478  1523.79   632.475  1350.47   627.556  31.006  9.3906 28.899  9.4389 2.107069       13.31452 
1 1 1 0  18 9  o 30.784  7.0316 1603.79   495.497  1729.84   699.829  1477.07   701.651  32.284  9.8987 29.283  9.9894 3.001184       14.06314 
1 1 1 0  18 10 o 16.851  4.0624 371.187   165.267  322.149   235.431  418.828   232.052  15.901  5.7561 17.801  5.7340 -1.900307      8.124717 
1 1 1 0  18 11 o 20.311  4.2552 540.554   174.981  621.799   321.525  506.365   208.573  20.610  6.7574 20.012  5.1734 0.5986271      8.510355 
1 1 1 0  18 12 o 8.9988  2.7646 41.965    101.023  -125.1364 174.009  126.921   124.073  7.7905  3.7543 10.207  4.0592 -2.416724      5.529125 
1 1 1 0  18 13 f 13.061  3.4384 270.113   142.835  23.322    238.814  407.569   178.228  10.056  4.7139 16.065  5.0070 -6.009260      6.876817 
1 1 1 0  18 14 o 8.0231  2.7343 -46.3019  124.288  54.394    201.850  -107.7937 157.736  8.9656  4.2430 7.0805  3.4499 1.885058       5.468514 
1 1 1 0  18 15 o 8.4612  2.9094 60.760    140.245  146.053   282.517  32.868    161.556  9.0542  4.4538 7.8681  3.7445 1.186116       5.818727 
1 1 1 0  19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 0  19 1  o 45.676  15.314 4066.04   1648.65  0.0000    0.0000   4066.04   1648.65  ?       ?      45.676  15.314 ?              ?        
1 1 1 0  19 2  o 35.059  10.198 1784.61   758.119  0.0000    0.0000   1784.61   758.119  ?       ?      35.059  10.198 ?              ?        
1 1 1 0  19 3  o 14.357  4.8826 218.314   167.620  0.0000    0.0000   218.314   167.620  ?       ?      14.357  4.8826 ?              ?        
1 1 1 0  19 4  o 15.151  3.5381 249.023   125.871  295.106   176.522  201.355   179.532  16.213  4.9715 14.089  5.0355 2.124161       7.076138 
1 1 1 0  19 5  o 21.636  4.5987 596.297   215.386  627.737   303.760  564.507   305.449  22.228  6.4525 21.044  6.5541 1.183876       9.197351 
1 1 1 0  19 6  o 27.949  5.9497 1157.89   366.664  1367.89   518.161  947.273   518.923  30.900  8.2352 24.999  8.5894 5.901531       11.89943 
1 1 1 0  19 7  o 27.897  6.1136 1176.22   376.373  1168.46   531.983  1183.99   532.562  27.794  8.6485 28.000  8.6434 -0.2062683     12.22721 
1 1 1 0  19 8  o 27.262  5.9272 1100.36   355.041  1041.18   499.679  1160.71   504.563  26.443  8.4033 28.080  8.3613 -1.636765      11.85439 
1 1 1 0  19 9  o 18.994  4.3680 464.082   190.847  399.122   262.084  537.411   278.457  17.740  6.1037 20.248  6.2499 -2.508142      8.735950 
1 1 1 0  19 10 o 16.056  4.0695 330.475   170.632  224.521   240.078  438.632   242.561  14.145  5.6397 17.967  5.8682 -3.822335      8.138935 
1 1 1 0  19 11 o 16.719  4.2487 398.670   204.937  698.973   293.694  113.685   286.105  20.974  6.4094 12.464  5.5790 8.510571       8.497417 
1 1 1 0  19 12 o 12.742  3.6271 227.631   136.477  222.789   256.226  229.549   161.256  12.679  5.4889 12.805  4.7429 -0.1265297     7.254138 
1 1 1 0  19 13 o 8.3281  2.8428 -58.8949  112.306  145.354   233.186  -120.5792 128.148  10.220  4.7465 6.4366  3.1302 3.782988       5.685670 
1 1 1 0  19 14 o 9.1756  3.1079 185.837   154.443  289.892   280.994  140.797   184.871  9.5608  4.6461 8.7905  4.1292 0.7702608      6.215857 
1 1 1 0  20 0  o 26.542  9.5935 1044.76   467.073  0.0000    0.0000   1044.76   467.073  26.542  9.5935 26.542  9.5935 -0.000000      0.000000 
1 1 1 0  20 1  o 26.354  7.3568 886.890   402.564  0.0000    0.0000   886.890   402.564  ?       ?      26.354  7.3568 ?              ?        
1 1 1 0  20 2  o 12.026  4.3879 138.940   137.206  0.0000    0.0000   138.940   137.206  ?       ?      12.026  4.3879 ?              ?        
1 1 1 0  20 3  o 20.300  6.2251 514.168   276.767  0.0000    0.0000   514.168   276.767  ?       ?      20.300  6.2251 ?              ?        
1 1 1 0  20 4  o 13.009  3.2901 168.587   110.710  109.166   155.603  229.505   157.551  11.650  4.5732 14.368  4.7312 -2.718367      6.580164 
1 1 1 0  20 5  o 13.604  3.4260 194.829   121.040  266.280   168.506  118.662   173.978  15.152  4.8868 12.057  4.8029 3.095311       6.851904 
1 1 1 0  20 6  o 32.248  7.3894 1801.67   544.802  1754.80   769.955  1848.67   770.978  31.730  10.460 32.766  10.441 -1.035784      14.77888 
1 1 1 0  20 7  o 24.156  5.1238 794.749   270.884  912.482   377.605  669.921   388.817  26.204  7.0504 22.108  7.4367 4.096277       10.24758 
1 1 1 0  20 8  o 9.1761  2.8572 -13.4655  102.685  -52.1071  148.643  21.810    142.021  8.7301  3.9544 9.6220  4.1252 -0.8918934     5.714427 
1 1 1 0  20 9  o 11.150  3.1987 65.026    120.870  206.224   171.397  -74.6630  170.479  13.383  4.9011 8.9159  4.1118 4.467410       6.397453 
1 1 1 0  20 10 o 12.377  3.6165 179.495   145.856  148.826   203.632  211.808   209.017  11.879  5.0099 12.875  5.2169 -0.9961319     7.232991 
1 1 1 0  20 11 o 14.585  4.1681 376.416   187.460  333.258   253.370  428.613   278.644  14.014  5.7192 15.157  6.0648 -1.142911      8.336119 
1 1 1 0  20 12 o 10.207  3.2577 48.279    123.928  287.881   240.964  -37.8888  144.504  12.552  5.3772 7.8614  3.6793 4.690849       6.515478 
1 1 1 0  20 13 o 10.177  2.9754 126.902   130.034  -351.9736 253.166  298.513   151.553  7.4388  3.7441 12.916  4.6254 -5.476864      5.950869 
1 1 1 0  21 0  o 4.6438  3.1639 -48.3648  90.422   -48.3648  90.422   0.0000    0.0000   4.6438  3.1639 4.6438  3.1639 0.000000       0.000000 
1 1 1 0  21 1  o 15.990  5.1856 294.610   189.548  0.0000    0.0000   294.610   189.548  ?       ?      15.990  5.1856 ?              ?        
1 1 1 0  21 2  o 23.951  7.1709 771.052   370.376  0.0000    0.0000   771.052   370.376  ?       ?      23.951  7.1709 ?              ?        
1 1 1 0  21 3  o 27.000  8.4863 1123.90   510.779  0.0000    0.0000   1123.90   510.779  ?       ?      27.000  8.4863 ?              ?        
1 1 1 0  21 4  o 14.120  3.0681 205.156   115.063  385.588   154.732  -18.0495  172.098  18.345  4.2933 9.8947  4.3841 8.450241       6.136170 
1 1 1 0  21 5  o 21.460  4.5632 607.518   222.467  398.107   312.055  823.948   317.241  17.739  6.5923 25.181  6.3115 -7.442751      9.126489 
1 1 1 0  21 6  o 29.515  6.5803 1400.67   434.341  1434.99   610.536  1365.50   618.036  30.020  9.2525 29.010  9.3592 1.010403       13.16063 
1 1 1 0  21 7  o 14.277  3.5874 214.480   139.576  344.241   190.282  63.344    205.358  16.862  5.1601 11.692  4.9851 5.170585       7.174836 
1 1 1 0  21 8  o 15.095  3.9082 281.242   154.729  322.604   221.213  241.622   216.503  15.855  5.5977 14.335  5.4554 1.519945       7.816383 
1 1 1 0  21 9  o 11.607  3.2460 86.930    131.186  -141.0822 186.643  309.560   184.427  8.3623  3.9920 14.852  5.1196 -6.489412      6.492055 
1 1 1 0  21 10 o 15.871  4.5543 586.644   226.717  640.145   320.008  532.727   321.248  16.571  6.5413 15.170  6.3387 1.400965       9.108688 
1 1 1 0  21 11 o 13.267  5.6420 325.120   261.789  325.120   261.789  0.0000    0.0000   13.267  5.6420 ?       ?      ?              ?        
1 1 1 0  21 12 o 8.0058  2.7246 -16.7091  128.724  -32.6694  182.796  -1.0090   181.300  7.8906  3.8137 8.1210  3.8923 -0.2303219     5.449286 
1 1 1 0  21 13 o 7.1670  2.5572 -109.0113 128.761  148.970   257.813  -194.7462 148.624  8.4878  4.1903 5.8463  2.9325 2.641429       5.114486 
1 1 1 0  22 0  o 9.7554  5.2596 149.350   142.495  0.0000    0.0000   149.350   142.495  9.7554  5.2596 9.7554  5.2596 -0.000000      0.000000 
1 1 1 0  22 1  o 10.627  4.2186 82.526    133.787  0.0000    0.0000   82.526    133.787  ?       ?      10.627  4.2186 ?              ?        
1 1 1 0  22 2  o 17.862  5.7803 383.799   235.605  0.0000    0.0000   383.799   235.605  ?       ?      17.862  5.7803 ?              ?        
1 1 1 0  22 3  o 24.074  7.5956 849.574   408.801  0.0000    0.0000   849.574   408.801  ?       ?      24.074  7.5956 ?              ?        
1 1 1 0  22 4  o 26.288  8.0366 992.474   461.684  0.0000    0.0000   992.474   461.684  ?       ?      26.288  8.0366 ?              ?        
1 1 1 0  22 5  o 10.205  2.9158 13.683    102.596  -125.3342 140.399  172.982   150.292  7.6008  3.5791 12.810  4.6041 -5.209293      5.831666 
1 1 1 0  22 6  o 9.1378  2.8237 -25.9861  104.618  84.277    143.370  -151.5659 153.004  10.617  4.3140 7.6588  3.6446 2.957865       5.647446 
1 1 1 0  22 7  o 20.806  4.9361 661.382   249.172  496.017   348.319  834.696   356.592  18.183  6.9197 23.430  7.0411 -5.246859      9.872117 
1 1 1 0  22 8  f 13.386  3.5034 228.905   139.256  359.799   182.646  47.168    215.214  16.012  5.0797 10.761  4.8262 5.250728       7.006824 
1 1 1 0  22 9  o 14.587  4.2273 444.754   197.030  453.593   269.832  434.659   288.376  14.841  5.9576 14.334  5.9988 0.5075808      8.454512 
1 1 1 0  22 10 o 15.268  4.4661 519.920   221.971  468.423   303.703  578.976   325.230  14.740  6.1614 15.796  6.4668 -1.055844      8.932145 
1 1 1 0  22 11 o 9.6096  4.5398 -370.4870 160.719  -808.9726 225.376  83.220    229.255  ?       ?      9.6096  4.5398 ?              ?        
1 1 1 0  22 12 o 8.4365  2.8555 27.017    142.137  115.578   179.228  -123.0852 233.334  9.0686  4.1941 7.8043  3.8764 1.264347       5.711079 
1 1 1 0  23 0  o 12.813  6.1089 263.453   179.135  0.0000    0.0000   263.453   179.135  12.813  6.1089 12.813  6.1089 -0.000000      0.000000 
1 1 1 0  23 1  o 13.294  4.7187 186.920   157.394  0.0000    0.0000   186.920   157.394  ?       ?      13.294  4.7187 ?              ?        
1 1 1 0  23 2  o 13.402  4.9980 184.584   179.677  0.0000    0.0000   184.584   179.677  ?       ?      13.402  4.9980 ?              ?        
1 1 1 0  23 3  o 22.159  7.0542 673.485   351.997  0.0000    0.0000   673.485   351.997  ?       ?      22.159  7.0542 ?              ?        
1 1 1 0  23 4  o 22.253  7.1459 718.622   360.613  0.0000    0.0000   718.622   360.613  ?       ?      22.253  7.1459 ?              ?        
1 1 1 0  23 5  o 15.639  3.9302 302.592   157.767  378.974   220.012  221.741   226.356  17.122  5.5886 14.157  5.5276 2.964780       7.860485 
1 1 1 0  23 6  o 8.1729  2.7001 -103.2294 108.874  -110.1862 148.369  -95.1127  160.260  7.9130  3.7113 8.4328  3.9227 -0.5197606     5.400100 
1 1 1 0  23 7  o 20.464  5.2740 884.110   308.818  1236.95   433.856  521.744   439.671  24.834  7.8238 16.095  7.0746 8.738638       10.54802 
1 1 1 0  23 8  f 12.189  3.6764 231.083   160.691  304.772   224.901  154.233   229.677  13.173  5.3835 11.205  5.0082 1.967954       7.352830 
1 1 1 0  23 9  o 10.117  3.1956 41.411    139.438  -115.5396 197.395  197.729   196.996  8.4015  4.0359 11.833  4.9556 -3.431299      6.391168 
1 1 1 0  23 10 o 12.331  3.8651 335.483   195.315  489.046   276.228  181.944   276.206  13.867  5.8409 10.796  5.0635 3.070854       7.730137 
1 1 1 0  23 11 o 7.4818  2.5979 -162.7287 138.315  -357.1592 217.867  -31.4550  179.019  6.8737  3.4614 8.0898  3.8749 -1.216111      5.195767 
1 1 1 0  23 12 o 9.4538  3.2360 207.934   189.838  314.309   263.496  93.127    273.740  10.124  4.8076 8.7833  4.3327 1.340950       6.471923 
1 1 1 0  24 0  o 8.3286  4.8659 100.255   134.978  100.255   134.978  0.0000    0.0000   8.3286  4.8659 8.3286  4.8659 0.000000       0.000000 
1 1 1 0  24 1  o 23.459  7.6964 891.335   417.064  0.0000    0.0000   891.335   417.064  ?       ?      23.459  7.6964 ?              ?        
1 1 1 0  24 2  o 19.611  6.6005 550.658   306.294  0.0000    0.0000   550.658   306.294  ?       ?      19.611  6.6005 ?              ?        
1 1 1 0  24 3  o 10.189  4.4117 31.108    165.587  0.0000    0.0000   31.108    165.587  ?       ?      10.189  4.4117 ?              ?        
1 1 1 0  24 4  o 18.102  6.3403 461.147   283.405  0.0000    0.0000   461.147   283.405  ?       ?      18.102  6.3403 ?              ?        
1 1 1 0  24 5  o 10.894  3.1780 95.315    114.306  141.681   146.853  24.043    182.072  11.577  4.4711 10.211  4.5174 1.366590       6.355927 
1 1 1 0  24 6  o 10.328  3.1800 45.152    126.353  118.937   173.451  -38.2725  184.434  11.289  4.6822 9.3684  4.3044 1.920195       6.360084 
1 1 1 0  24 7  o 9.6719  3.0182 -79.3433  131.332  -363.6224 178.213  258.536   194.289  6.4752  3.2426 12.869  5.0915 -6.393287      6.036372 
1 1 1 0  24 8  o 14.591  4.1158 388.148   194.365  646.398   285.157  164.059   265.628  17.652  6.3422 11.531  5.2476 6.121303       8.231688 
1 1 1 0  24 9  o 11.380  3.5758 224.531   169.079  361.284   237.286  83.479    240.985  12.850  5.4132 9.9108  4.6736 2.939445       7.151620 
1 1 1 0  24 10 o 9.2379  3.1091 45.407    158.278  100.429   222.534  -10.9240  225.167  9.6569  4.5343 8.8189  4.2551 0.8380098      6.218162 
1 1 1 0  24 11 o 7.6908  2.6753 -27.9957  144.742  16.538    185.393  -97.5188  231.639  7.8275  3.7969 7.5541  3.7698 0.2733712      5.350543 
1 1 1 0  25 0  o 6.5703  4.2058 20.645    124.290  20.645    124.290  0.0000    0.0000   6.5703  4.2058 6.5703  4.2058 0.000000       0.000000 
1 1 1 0  25 1  o 21.219  6.8669 658.672   332.509  0.0000    0.0000   658.672   332.509  ?       ?      21.219  6.8669 ?              ?        
1 1 1 0  25 2  o 15.446  5.6964 313.363   232.117  0.0000    0.0000   313.363   232.117  ?       ?      15.446  5.6964 ?              ?        
1 1 1 0  25 3  o 8.9860  4.1254 -31.1706  168.947  0.0000    0.0000   -31.1706  168.947  ?       ?      8.9860  4.1254 ?              ?        
1 1 1 0  25 4  o 10.304  4.5396 42.027    181.992  0.0000    0.0000   42.027    181.992  ?       ?      10.304  4.5396 ?              ?        
1 1 1 0  25 5  o 13.715  5.6548 356.050   250.876  0.0000    0.0000   356.050   250.876  ?       ?      13.715  5.6548 ?              ?        
1 1 1 0  25 6  o 11.605  3.5124 136.566   147.229  55.677    203.331  225.719   213.464  10.420  4.6808 12.791  5.2381 -2.370970      7.024792 
1 1 1 0  25 7  o 8.2414  2.7371 -73.9636  121.518  38.997    150.315  -287.0531 206.452  9.0405  4.0454 7.4423  3.6878 1.598246       5.474108 
1 1 1 0  25 8  o 12.272  3.8330 322.897   194.922  98.707    271.496  561.394   280.026  10.053  4.8033 14.492  5.9747 -4.439789      7.666066 
1 1 1 0  25 9  o 10.996  3.4936 237.384   163.835  162.916   250.750  292.855   216.417  10.264  4.8174 11.728  5.0609 -1.464047      6.987143 
1 1 1 0  25 10 o 9.8821  3.3614 345.146   194.316  397.997   288.564  301.296   262.844  10.090  4.8553 9.6743  4.6499 0.4156246      6.722825 
1 1 1 0  26 0  o 6.0936  4.0278 0.5569    127.579  0.0000    0.0000   0.5569    127.579  6.0936  4.0278 6.0936  4.0278 -0.000000      0.000000 
1 1 1 0  26 1  o 8.7561  3.9135 19.638    140.219  0.0000    0.0000   19.638    140.219  ?       ?      8.7561  3.9135 ?              ?        
1 1 1 0  26 2  o 13.275  5.6401 322.639   261.164  0.0000    0.0000   322.639   261.164  ?       ?      13.275  5.6401 ?              ?        
1 1 1 0  26 3  o 11.103  4.8741 142.087   208.112  0.0000    0.0000   142.087   208.112  ?       ?      11.103  4.8741 ?              ?        
1 1 1 0  26 4  o 9.3282  4.3012 -18.6162  186.430  0.0000    0.0000   -18.6162  186.430  ?       ?      9.3282  4.3012 ?              ?        
1 1 1 0  26 5  o 10.047  4.5275 74.719    191.978  0.0000    0.0000   74.719    191.978  ?       ?      10.047  4.5275 ?              ?        
1 1 1 0  26 6  o 7.2651  2.5395 -238.3930 135.238  -205.4729 193.402  -269.8909 189.178  7.4904  3.6847 7.0399  3.4956 0.4505014      5.078988 
1 1 1 0  26 7  o 11.297  3.6467 322.392   184.173  441.657   268.139  215.874   253.406  12.282  5.4554 10.312  4.8407 1.969840       7.293452 
1 1 1 0  26 8  o 9.5303  3.2075 99.256    167.541  85.355    231.513  114.540   242.766  9.3982  4.4753 9.6623  4.5959 -0.2641153     6.414917 
1 1 1 0  26 9  o 7.4553  2.6222 -88.9058  153.748  -155.2084 224.810  -30.6443  210.738  7.2169  3.6181 7.6936  3.7964 -0.4767303     5.244360 
1 1 1 0  27 0  f 10.667  5.9606 229.443   190.098  229.443   190.098  0.0000    0.0000   10.667  5.9606 10.667  5.9606 0.000000       0.000000 
1 1 1 0  27 1  o 7.4070  3.5140 -87.8172  140.135  0.0000    0.0000   -87.8172  140.135  ?       ?      7.4070  3.5140 ?              ?        
1 1 1 0  27 2  o 8.2875  3.9278 -68.2267  174.213  0.0000    0.0000   -68.2267  174.213  ?       ?      8.2875  3.9278 ?              ?        
1 1 1 0  27 3  o 9.9367  4.5530 51.566    204.413  0.0000    0.0000   51.566    204.413  ?       ?      9.9367  4.5530 ?              ?        
1 1 1 0  27 4  o 12.377  5.4585 309.685   263.799  0.0000    0.0000   309.685   263.799  ?       ?      12.377  5.4585 ?              ?        
1 1 1 0  27 5  o 8.0391  3.8807 -57.9202  187.823  0.0000    0.0000   -57.9202  187.823  ?       ?      8.0391  3.8807 ?              ?        
1 1 1 0  27 6  o 7.4730  2.5663 -99.1053  123.560  -12.5084  159.728  -228.1405 194.977  7.9241  3.7571 7.0219  3.4969 0.9021931      5.132634 
1 1 1 0  27 7  o 10.319  3.4465 320.983   184.535  229.840   245.936  438.407   279.151  9.6631  4.6045 10.976  5.1294 -1.312762      6.892953 
1 1 1 0  27 8  o 8.6397  2.9869 80.611    171.000  58.821    235.103  105.086   249.169  8.4863  4.1514 8.7931  4.2956 -0.3067932     5.973793 
1 1 1 0  28 0  o 6.1327  4.2078 -28.8544  166.254  -28.8544  166.254  0.0000    0.0000   6.1327  4.2078 6.1327  4.2078 0.000000       0.000000 
1 1 1 0  28 1  o 11.006  3.3963 168.302   138.037  45.820    173.230  381.345   228.466  8.9205  4.1248 13.091  5.3968 -4.170330      6.792533 
1 1 1 0  28 2  o 7.0677  3.5102 -215.3676 191.174  0.0000    0.0000   -215.3676 191.174  ?       ?      7.0677  3.5102 ?              ?        
1 1 1 0  28 3  o 9.1105  4.3608 86.359    225.895  0.0000    0.0000   86.359    225.895  ?       ?      9.1105  4.3608 ?              ?        
1 1 1 0  28 4  o 12.257  5.6287 451.916   314.835  0.0000    0.0000   451.916   314.835  ?       ?      12.257  5.6287 ?              ?        
1 1 1 0  28 5  o 7.2341  3.5898 -160.4376 198.301  0.0000    0.0000   -160.4376 198.301  ?       ?      7.2341  3.5898 ?              ?        
1 1 1 0  28 6  o 9.6381  4.6582 327.567   272.638  0.0000    0.0000   327.567   272.638  ?       ?      9.6381  4.6582 ?              ?        
1 1 1 0  29 0  o 10.082  6.0792 284.629   223.365  0.0000    0.0000   284.629   223.365  10.082  6.0792 10.082  6.0792 -0.000000      0.000000 
1 1 1 0  29 1  o 9.1380  2.7875 28.949    116.971  278.358   153.955  -311.6207 179.904  11.992  4.5916 6.2838  3.1620 5.708292       5.575017 
1 1 1 0  29 2  o 10.243  4.8625 299.475   269.138  0.0000    0.0000   299.475   269.138  ?       ?      10.243  4.8625 ?              ?        
1 1 1 0  29 3  o 7.6807  3.8141 -5.4334   225.351  0.0000    0.0000   -5.4334   225.351  ?       ?      7.6807  3.8141 ?              ?        
1 1 1 0  29 4  f 8.8690  4.3230 146.694   248.355  0.0000    0.0000   146.694   248.355  ?       ?      8.8690  4.3230 ?              ?        
1 1 1 1  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 1  1  1  o 133.345 39.000 28040.18  11059.82 0.0000    0.0000   28040.18  11059.82 ?       ?      133.345 39.000 ?              ?        
1 1 1 1  1  2  o 35.697  5.8453 1348.99   409.108  1353.79   577.790  1344.18   579.345  35.764  8.2465 35.631  8.2864 0.1328087      11.69056 
1 1 1 1  1  3  o 245.842 47.746 86950.93  24194.84 86432.80  34216.67 87469.05  34216.68 244.917 67.627 246.766 67.418 -1.849197      95.49105 
1 1 1 1  1  4  o 165.491 31.221 37760.22  10528.31 37109.93  14888.71 38410.61  14889.84 163.732 44.363 167.250 43.942 -3.518143      62.44242 
1 1 1 1  1  5  o 95.395  23.092 10955.53  4358.34  10955.53  4358.34  0.0000    0.0000   95.395  23.092 ?       ?      ?              ?        
1 1 1 1  1  6  o 62.919  14.243 4317.09   1750.54  4317.09   1750.54  0.0000    0.0000   62.919  14.243 ?       ?      ?              ?        
1 1 1 1  1  7  o 48.018  10.994 2490.98   1033.05  2490.98   1033.05  0.0000    0.0000   48.018  10.994 ?       ?      ?              ?        
1 1 1 1  1  8  o 53.983  12.489 3225.86   1321.64  3225.86   1321.64  0.0000    0.0000   53.983  12.489 ?       ?      ?              ?        
1 1 1 1  1  9  o 75.338  21.076 8260.71   3300.32  8260.71   3300.32  0.0000    0.0000   75.338  21.076 ?       ?      ?              ?        
1 1 1 1  1  10 o 44.777  12.131 2692.91   1113.40  2692.91   1113.40  0.0000    0.0000   44.777  12.131 ?       ?      ?              ?        
1 1 1 1  1  11 o 23.991  6.5841 665.285   325.490  665.285   325.490  0.0000    0.0000   23.991  6.5841 ?       ?      ?              ?        
1 1 1 1  1  12 o 19.194  5.7192 417.745   236.005  417.745   236.005  0.0000    0.0000   19.194  5.7192 ?       ?      ?              ?        
1 1 1 1  1  13 o 15.196  5.1673 259.789   187.737  259.789   187.737  0.0000    0.0000   15.196  5.1673 ?       ?      ?              ?        
1 1 1 1  1  14 o 20.548  6.4492 541.229   295.110  541.229   295.110  0.0000    0.0000   20.548  6.4492 ?       ?      ?              ?        
1 1 1 1  1  15 o 17.720  5.8583 408.246   241.470  408.246   241.470  0.0000    0.0000   17.720  5.8583 ?       ?      ?              ?        
1 1 1 1  1  16 f 8.6342  3.9962 -49.4830  163.168  -49.4830  163.168  0.0000    0.0000   8.6342  3.9962 ?       ?      ?              ?        
1 1 1 1  1  17 o 12.953  5.4876 277.989   246.105  277.989   246.105  0.0000    0.0000   12.953  5.4876 ?       ?      ?              ?        
1 1 1 1  1  18 o 10.280  4.6739 179.716   210.091  179.716   210.091  0.0000    0.0000   10.280  4.6739 ?       ?      ?              ?        
1 1 1 1  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 1  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 1  2  2  f 88.649  13.981 8581.22   2416.31  8233.08   3414.45  8930.47   3419.90  86.724  20.081 90.573  19.459 -3.849373      27.96286 
1 1 1 1  2  3  o 99.191  15.547 10694.23  3003.48  10888.67  4247.92  10499.86  4247.20  100.153 21.824 98.228  22.148 1.925186       31.09360 
1 1 1 1  2  4  o 101.166 16.338 11505.60  3233.18  11482.14  4570.79  11529.10  4574.04  101.057 23.117 101.276 23.094 -0.2192612     32.67595 
1 1 1 1  2  5  o 90.276  14.985 9443.49   2660.64  9909.98   3762.86  8977.08   3762.56  92.762  20.796 87.790  21.581 4.972160       29.97073 
1 1 1 1  2  6  o 119.785 21.251 18158.38  5082.58  18037.19  7187.80  18279.58  7187.90  119.313 30.118 120.257 29.988 -0.9440231     42.50173 
1 1 1 1  2  7  o 63.243  10.311 4464.22   1277.99  4650.55   1807.90  4278.11   1806.80  64.669  14.353 61.816  14.809 2.852058       20.62299 
1 1 1 1  2  8  o 63.887  14.955 4639.42   1877.04  4639.42   1877.04  0.0000    0.0000   63.887  14.955 ?       ?      ?              ?        
1 1 1 1  2  9  o 86.269  35.002 23848.21  9422.42  23848.21  9422.42  0.0000    0.0000   86.269  35.002 ?       ?      ?              ?        
1 1 1 1  2  10 o 10.359  3.6860 96.542    96.099   96.542    96.099   0.0000    0.0000   10.359  3.6860 ?       ?      ?              ?        
1 1 1 1  2  11 o 40.383  11.947 2479.70   1032.56  2479.70   1032.56  0.0000    0.0000   40.383  11.947 ?       ?      ?              ?        
1 1 1 1  2  12 o 30.331  8.4675 1197.91   533.276  1197.91   533.276  0.0000    0.0000   30.331  8.4675 ?       ?      ?              ?        
1 1 1 1  2  13 o 18.240  5.7753 401.301   236.178  401.301   236.178  0.0000    0.0000   18.240  5.7753 ?       ?      ?              ?        
1 1 1 1  2  14 o 21.330  6.6677 602.873   315.802  602.873   315.802  0.0000    0.0000   21.330  6.6677 ?       ?      ?              ?        
1 1 1 1  2  15 o 24.151  8.0486 964.375   455.450  964.375   455.450  0.0000    0.0000   24.151  8.0486 ?       ?      ?              ?        
1 1 1 1  2  16 o 12.439  5.1075 187.105   203.609  187.105   203.609  0.0000    0.0000   12.439  5.1075 ?       ?      ?              ?        
1 1 1 1  2  17 o 8.7223  4.1024 -44.0622  183.478  -44.0622  183.478  0.0000    0.0000   8.7223  4.1024 ?       ?      ?              ?        
1 1 1 1  2  18 o 11.490  5.2727 322.967   275.620  322.967   275.620  0.0000    0.0000   11.490  5.2727 ?       ?      ?              ?        
1 1 1 1  3  0  o 58.860  17.573 4462.38   1801.30  4462.38   1801.30  0.0000    0.0000   58.860  17.573 58.860  17.573 0.000000       0.000000 
1 1 1 1  3  1  o 87.725  20.275 8736.56   3485.94  0.0000    0.0000   8736.56   3485.94  ?       ?      87.725  20.275 ?              ?        
1 1 1 1  3  2  o 259.163 75.231 104972.50 41292.05 104972.50 41292.05 0.0000    0.0000   259.163 75.231 ?       ?      ?              ?        
1 1 1 1  3  3  o 169.745 32.524 40687.00  11319.08 39612.77  16000.42 41763.16  16014.79 166.962 46.300 172.528 45.689 -5.566162      65.04759 
1 1 1 1  3  4  o 145.522 25.428 26321.97  7360.82  25387.75  10414.25 27254.59  10405.31 142.496 36.408 148.548 35.506 -6.052002      50.85507 
1 1 1 1  3  5  o 84.298  13.640 7973.84   2249.89  7920.78   3178.93  8027.08   3184.72  83.998  19.325 84.597  19.255 -0.5990067     27.28021 
1 1 1 1  3  6  o 159.807 32.965 40140.76  11187.56 40250.13  15820.55 40031.37  15822.66 160.096 46.593 159.520 46.646 0.5759735      65.92983 
1 1 1 1  3  7  o 75.937  12.697 6694.41   1898.04  6697.58   2684.22  6691.24   2684.24  75.957  17.953 75.917  17.960 0.4009247E-01  25.39408 
1 1 1 1  3  8  o 87.245  15.609 9675.53   2726.19  9428.09   3855.49  9922.95   3855.35  85.929  22.256 88.561  21.891 -2.632156      31.21824 
1 1 1 1  3  9  o 22.346  4.1222 535.926   186.872  473.478   265.595  597.151   262.980  21.091  6.0067 23.600  5.6471 -2.509260      8.244399 
1 1 1 1  3  10 o 22.033  5.9969 547.800   271.333  547.800   271.333  0.0000    0.0000   22.033  5.9969 ?       ?      ?              ?        
1 1 1 1  3  11 o 21.038  6.0354 515.113   267.167  515.113   267.167  0.0000    0.0000   21.038  6.0354 ?       ?      ?              ?        
1 1 1 1  3  12 o 15.810  5.1006 276.138   183.559  276.138   183.559  0.0000    0.0000   15.810  5.1006 ?       ?      ?              ?        
1 1 1 1  3  13 o 14.417  4.8137 230.410   162.895  230.410   162.895  0.0000    0.0000   14.417  4.8137 ?       ?      ?              ?        
1 1 1 1  3  14 o 15.295  5.3234 274.082   199.634  274.082   199.634  0.0000    0.0000   15.295  5.3234 ?       ?      ?              ?        
1 1 1 1  3  15 o 10.340  4.3599 57.922    154.157  57.922    154.157  0.0000    0.0000   10.340  4.3599 ?       ?      ?              ?        
1 1 1 1  3  16 o 12.756  5.1455 192.030   202.342  192.030   202.342  0.0000    0.0000   12.756  5.1455 ?       ?      ?              ?        
1 1 1 1  3  17 o 11.379  4.9737 172.072   214.636  172.072   214.636  0.0000    0.0000   11.379  4.9737 ?       ?      ?              ?        
1 1 1 1  3  18 o 8.0156  3.9044 -90.0093  201.630  -90.0093  201.630  0.0000    0.0000   8.0156  3.9044 ?       ?      ?              ?        
1 1 1 1  4  0  o 114.845 33.239 16727.29  6624.37  16727.29  6624.37  0.0000    0.0000   114.845 33.239 114.845 33.239 0.000000       0.000000 
1 1 1 1  4  1  o 205.143 36.425 53617.10  14924.68 52748.51  21105.24 54485.92  21108.14 203.172 51.786 207.114 51.239 -3.942032      72.85075 
1 1 1 1  4  2  o 84.300  13.106 7599.74   2149.45  7636.03   3039.66  7563.45   3039.89  84.511  18.497 84.088  18.572 0.4236374      26.21157 
1 1 1 1  4  3  o 175.107 26.962 38641.10  8762.69  41958.74  15183.06 36984.12  10730.07 174.488 43.624 175.727 31.697 -1.239075      53.92364 
1 1 1 1  4  4  o 98.546  14.586 11613.10  2664.72  13275.81  3263.62  8287.80   4615.38  112.760 14.472 84.331  25.329 28.42905       29.17125 
1 1 1 1  4  5  o 98.701  13.198 10496.44  2415.93  10129.75  2960.74  11227.09  4179.35  98.148  15.083 99.253  21.662 -1.104996      26.39600 
1 1 1 1  4  6  o 113.862 15.330 14060.74  3241.41  13398.31  3968.94  15387.50  5617.00  112.346 17.664 115.378 25.059 -3.031540      30.65904 
1 1 1 1  4  7  o 39.589  6.4640 1678.27   501.610  1614.99   707.302  1742.29   711.484  38.814  9.2438 40.365  9.0382 -1.550438      12.92809 
1 1 1 1  4  8  o 82.225  15.189 8955.15   2525.22  9015.96   3569.14  8894.20   3573.27  82.573  21.427 81.877  21.533 0.6957779      30.37771 
1 1 1 1  4  9  o 51.338  9.1147 3226.76   934.735  3322.29   1321.64  3131.14   1322.19  52.207  12.764 50.469  13.015 1.738041       18.22946 
1 1 1 1  4  10 f 37.875  7.3561 1929.07   574.771  1848.57   812.756  2009.61   812.940  36.945  10.503 38.804  10.302 -1.859707      14.71220 
1 1 1 1  4  11 o 29.899  8.1870 1129.23   503.927  1129.23   503.927  0.0000    0.0000   29.899  8.1870 ?       ?      ?              ?        
1 1 1 1  4  12 o 26.981  7.6956 947.238   435.601  947.238   435.601  0.0000    0.0000   26.981  7.6956 ?       ?      ?              ?        
1 1 1 1  4  13 o 9.4477  3.9131 40.676    120.907  40.676    120.907  0.0000    0.0000   9.4477  3.9131 ?       ?      ?              ?        
1 1 1 1  4  14 o 20.014  6.3573 525.783   286.006  525.783   286.006  0.0000    0.0000   20.014  6.3573 ?       ?      ?              ?        
1 1 1 1  4  15 o 11.207  4.0678 130.745   117.696  130.745   117.696  0.0000    0.0000   11.207  4.0678 ?       ?      ?              ?        
1 1 1 1  4  16 o 11.494  4.3800 147.524   139.673  147.524   139.673  0.0000    0.0000   11.494  4.3800 ?       ?      ?              ?        
1 1 1 1  4  17 o 13.642  5.0683 303.643   184.426  303.643   184.426  0.0000    0.0000   13.642  5.0683 ?       ?      ?              ?        
1 1 1 1  4  18 o 8.0045  3.7275 13.357    145.348  13.357    145.348  0.0000    0.0000   8.0045  3.7275 ?       ?      ?              ?        
1 1 1 1  5  0  o 99.782  28.354 12338.98  4902.29  12338.98  4902.29  0.0000    0.0000   99.782  28.354 99.782  28.354 0.000000       0.000000 
1 1 1 1  5  1  o 78.039  12.178 6528.72   1850.14  6807.01   2615.43  6249.97   2617.55  79.796  16.913 76.282  17.525 3.513878       24.35580 
1 1 1 1  5  2  o 125.242 21.413 18960.13  5304.71  18868.18  7501.00  19052.13  7502.98  124.895 30.331 125.589 30.234 -0.6938248     42.82659 
1 1 1 1  5  3  o 90.667  14.429 9059.71   2555.17  9706.72   3614.14  8413.12   3612.98  94.151  19.820 87.183  20.976 6.967453       28.85857 
1 1 1 1  5  4  o 128.656 18.942 20031.88  4555.30  21721.98  7893.60  19187.98  5577.82  127.670 31.183 129.642 21.512 -1.972572      37.88311 
1 1 1 1  5  5  o 43.411  5.7462 1904.45   463.335  1807.49   566.501  2100.38   805.274  42.275  6.7002 44.546  9.3373 -2.270618      11.49246 
1 1 1 1  5  6  o 85.669  10.617 7365.57   1719.67  6071.61   2107.83  9941.18   2973.82  74.677  14.636 96.661  15.383 -21.98465      21.23324 
1 1 1 1  5  7  o 96.674  12.651 9907.92   2314.28  8015.06   2834.75  13690.85  4007.46  83.377  17.555 109.970 18.221 -26.59341      25.30123 
1 1 1 1  5  8  o 75.788  12.188 7887.94   1793.48  8960.74   2196.60  5742.62   3106.26  88.979  12.343 62.598  21.020 26.38073       24.37616 
1 1 1 1  5  9  o 54.984  8.6938 4032.65   929.893  4801.65   1139.09  2496.39   1610.02  66.355  8.5833 43.612  15.121 22.74270       17.38754 
1 1 1 1  5  10 o 26.654  4.3386 814.923   217.934  847.145   267.749  751.667   375.145  27.902  4.9808 25.405  7.1053 2.496756       8.677185 
1 1 1 1  5  11 o 31.688  4.8941 1122.69   288.696  1006.92   353.345  1355.15   500.702  29.748  6.1425 33.628  7.6209 -3.880388      9.788128 
1 1 1 1  5  12 o 32.302  5.2991 1257.55   321.254  1163.07   393.092  1447.55   557.458  31.302  6.4920 33.303  8.3771 -2.001635      10.59823 
1 1 1 1  5  13 o 28.968  6.0131 1033.84   336.974  1033.84   336.974  0.0000    0.0000   28.968  6.0131 ?       ?      ?              ?        
1 1 1 1  5  14 o 18.455  4.7340 398.111   175.584  398.111   175.584  0.0000    0.0000   18.455  4.7340 ?       ?      ?              ?        
1 1 1 1  5  15 o 20.824  5.3219 550.513   222.475  550.513   222.475  0.0000    0.0000   20.824  5.3219 ?       ?      ?              ?        
1 1 1 1  5  16 o 18.414  5.4272 505.495   213.449  505.495   213.449  0.0000    0.0000   18.414  5.4272 ?       ?      ?              ?        
1 1 1 1  5  17 o 14.134  4.9965 326.786   176.302  326.786   176.302  0.0000    0.0000   14.134  4.9965 ?       ?      ?              ?        
1 1 1 1  5  18 o 9.1395  4.1905 113.059   173.575  113.059   173.575  0.0000    0.0000   9.1395  4.1905 ?       ?      ?              ?        
1 1 1 1  6  0  o 141.536 31.517 28115.64  7838.81  28532.04  11087.21 27699.47  11084.30 143.210 44.231 139.863 44.911 0.000000       0.000000 
1 1 1 1  6  1  o 135.148 23.475 22612.21  6302.65  23537.85  8918.26  21688.63  8908.34  138.359 32.739 131.937 33.653 6.421936       46.95070 
1 1 1 1  6  2  o 59.458  9.3559 3769.17   1084.00  3819.37   1530.61  3718.65   1535.41  59.877  13.142 59.039  13.320 0.8382607      18.71180 
1 1 1 1  6  3  o 116.708 20.628 17155.58  4803.18  16651.21  6791.69  17660.27  6793.75  114.692 29.455 118.724 28.887 -4.031364      41.25554 
1 1 1 1  6  4  o 180.204 48.761 88212.24  24545.29 88250.36  34713.41 88174.13  34711.14 180.253 68.963 180.154 68.953 0.9886169E-01  97.52136 
1 1 1 1  6  5  f 153.051 24.174 30700.83  7011.58  28705.48  12147.27 31697.80  8586.38  140.540 40.806 165.561 25.931 -25.02080      48.34833 
1 1 1 1  6  6  o 67.539  9.5639 5097.90   1188.30  5398.14   1454.58  4495.48   2060.43  72.150  10.080 62.928  16.256 9.221462       19.12787 
1 1 1 1  6  7  o 35.948  4.9719 1316.53   330.741  1210.04   406.401  1525.41   569.158  33.992  6.2066 37.904  7.7689 -3.912090      9.943767 
1 1 1 1  6  8  o 38.512  5.5458 1613.01   396.699  1665.26   486.780  1509.69   684.509  40.185  6.0567 36.838  9.2919 3.347366       11.09156 
1 1 1 1  6  9  o 25.768  4.1378 818.532   216.240  1072.59   265.514  318.082   372.650  32.370  4.1012 19.166  7.1879 13.20390       8.275640 
1 1 1 1  6  10 o 14.117  2.8710 212.503   83.803   221.982   104.883  195.765   139.366  14.420  3.6372 13.815  4.4430 0.6047058      5.741938 
1 1 1 1  6  11 o 21.453  3.8192 528.934   159.029  553.201   195.748  481.822   272.741  22.447  4.5167 20.459  6.1600 1.988060       7.638463 
1 1 1 1  6  12 o 24.703  4.3139 750.172   206.652  806.988   253.363  637.255   357.181  26.789  4.9098 22.616  7.0946 4.172598       8.627861 
1 1 1 1  6  13 o 14.386  3.0177 250.467   105.354  350.438   129.300  52.998    181.724  17.669  3.7736 11.102  4.7102 6.567396       6.035395 
1 1 1 1  6  14 o 22.137  4.2043 622.723   186.210  653.636   227.949  560.716   322.837  23.597  4.9862 20.678  6.7708 2.919142       8.408669 
1 1 1 1  6  15 o 15.523  4.5382 294.291   149.785  294.291   149.785  0.0000    0.0000   15.523  4.5382 ?       ?      ?              ?        
1 1 1 1  6  16 o 16.654  5.3394 459.571   201.393  459.571   201.393  0.0000    0.0000   16.654  5.3394 ?       ?      ?              ?        
1 1 1 1  6  17 o 13.375  5.1359 323.661   192.972  323.661   192.972  0.0000    0.0000   13.375  5.1359 ?       ?      ?              ?        
1 1 1 1  6  18 o 7.3822  3.5742 -10.8205  162.319  -10.8205  162.319  0.0000    0.0000   7.3822  3.5742 ?       ?      ?              ?        
1 1 1 1  7  0  o 130.634 39.322 22680.07  8956.08  0.0000    0.0000   22680.07  8956.08  130.634 39.322 130.634 39.322 -0.000000      0.000000 
1 1 1 1  7  1  o 87.520  13.933 8439.48   2380.15  8517.96   3369.37  8361.30   3362.72  87.952  19.650 87.088  19.760 0.8646851      27.86695 
1 1 1 1  7  2  o 95.605  16.063 10782.60  3026.36  10545.01  4277.83  11020.64  4282.00  94.420  22.891 96.791  22.540 -2.371185      32.12543 
1 1 1 1  7  3  o 83.145  13.450 7750.63   2188.24  7625.93   3092.49  7875.69   3096.80  82.420  19.129 83.870  18.913 -1.450264      26.90040 
1 1 1 1  7  4  o 86.068  14.112 8436.66   2381.93  8496.95   3368.10  8376.33   3369.00  86.409  19.900 85.727  20.013 0.6815491      28.22322 
1 1 1 1  7  5  o 127.120 17.219 17949.12  4076.20  20407.24  7063.41  16721.74  4991.16  130.364 27.932 123.875 20.146 6.488762       34.43889 
1 1 1 1  7  6  o 99.925  13.947 11224.28  2573.46  13446.05  4458.94  10114.57  3151.28  105.567 21.839 94.283  17.351 11.28476       27.89305 
1 1 1 1  7  7  o 89.004  12.958 9294.95   2148.84  9104.04   2630.86  9677.56   3724.51  90.715  14.501 87.292  21.480 3.423515       25.91630 
1 1 1 1  7  8  o 21.317  3.4574 492.180   141.480  537.565   174.121  403.994   242.714  23.027  3.7808 19.607  5.7897 3.419859       6.914886 
1 1 1 1  7  9  o 40.815  6.5866 2218.62   535.098  2699.66   657.236  1272.82   921.576  49.834  6.5943 31.796  11.404 18.03779       13.17325 
1 1 1 1  7  10 o 37.016  5.5523 1538.67   381.565  1404.24   467.809  1805.87   659.517  35.222  6.8877 38.811  8.7104 -3.589115      11.10461 
1 1 1 1  7  11 o 26.840  4.4691 818.896   225.834  786.026   276.265  885.101   392.079  26.485  5.3986 27.195  7.1237 -0.7094345     8.938240 
1 1 1 1  7  12 o 19.232  3.5870 422.016   134.432  397.515   164.913  470.544   232.091  18.671  4.4746 19.793  5.6075 -1.122009      7.173976 
1 1 1 1  7  13 o 9.1395  2.6629 43.296    77.167   44.899    98.709   40.776    123.749  8.8157  3.5806 9.4633  3.9424 -0.6475248     5.325706 
1 1 1 1  7  14 o 13.929  3.2043 222.166   114.085  321.107   143.000  48.931    189.220  16.668  4.2704 11.190  4.7785 5.478470       6.408617 
1 1 1 1  7  15 o 19.737  4.1704 533.609   176.495  561.571   218.735  481.432   298.790  21.056  5.2201 18.419  6.5053 2.637346       8.340774 
1 1 1 1  7  16 o 20.413  6.4084 806.537   291.365  806.537   291.365  0.0000    0.0000   20.413  6.4084 ?       ?      ?              ?        
1 1 1 1  7  17 o 8.6765  3.9015 51.939    141.648  51.939    141.648  0.0000    0.0000   8.6765  3.9015 ?       ?      ?              ?        
1 1 1 1  7  18 o 7.2576  3.4710 21.489    142.460  21.489    142.460  0.0000    0.0000   7.2576  3.4710 ?       ?      ?              ?        
1 1 1 1  8  0  o 64.441  18.925 5268.88   2119.13  0.0000    0.0000   5268.88   2119.13  64.441  18.925 64.441  18.925 -0.000000      0.000000 
1 1 1 1  8  1  o 46.566  7.5015 2324.41   683.130  2396.76   966.025  2252.04   966.157  47.323  10.483 45.809  10.733 1.514339       15.00308 
1 1 1 1  8  2  o 66.075  10.500 4744.54   1353.82  4626.23   1915.40  4862.65   1913.80  65.198  15.001 66.951  14.696 -1.752800      20.99968 
1 1 1 1  8  3  o 117.600 20.631 17279.11  4830.02  17026.04  6826.12  17532.86  6835.24  116.604 29.305 118.596 29.048 -1.992386      41.26197 
1 1 1 1  8  4  o 141.468 25.598 26029.58  7273.89  26511.54  10286.81 25547.61  10286.86 143.038 35.989 139.898 36.413 3.140167       51.19644 
1 1 1 1  8  5  o 137.509 33.013 38874.15  10837.22 38525.37  15324.81 39223.06  15327.47 136.665 46.685 138.354 46.691 -1.688919      66.02677 
1 1 1 1  8  6  f 82.373  11.119 7423.48   1701.89  8198.01   2949.50  7036.91   2083.76  83.661  18.150 81.085  12.849 2.575325       22.23766 
1 1 1 1  8  7  o 60.123  6.6059 3895.76   794.191  3813.77   1122.36  3977.98   1123.95  59.443  9.4407 60.802  9.2427 -1.359009      13.21185 
1 1 1 1  8  8  o 43.021  6.1934 2041.72   495.679  2025.62   606.880  2073.99   859.110  43.789  6.9296 42.254  10.267 1.534958       12.38679 
1 1 1 1  8  9  o 39.428  5.9085 1755.05   436.284  1385.51   535.700  2482.98   751.854  33.816  8.0388 45.039  8.6612 -11.22336      11.81691 
1 1 1 1  8  10 o 25.721  4.0703 720.756   197.123  611.093   243.130  931.139   336.753  23.171  5.3539 28.270  6.1324 -5.098768      8.140691 
1 1 1 1  8  11 o 16.958  3.3463 310.875   113.959  282.220   141.570  363.619   192.068  15.977  4.3247 17.939  5.1077 -1.961720      6.692659 
1 1 1 1  8  12 o 26.756  4.2952 798.582   219.885  557.588   269.989  1273.32   378.937  21.187  6.0639 32.324  6.0848 -11.13696      8.590446 
1 1 1 1  8  13 f 27.926  5.0850 1073.30   284.358  1168.94   349.356  885.554   489.483  31.189  5.8146 24.663  8.3438 6.525665       10.16999 
1 1 1 1  8  14 o 12.013  3.0654 149.027   93.898   173.476   115.633  101.691   160.894  12.541  4.0485 11.485  4.6039 1.056811       6.130733 
1 1 1 1  8  15 o 14.465  3.6551 257.192   129.755  257.821   158.219  255.899   226.757  14.457  4.7403 14.473  5.5651 -0.1574612E-01 7.310276 
1 1 1 1  8  16 o 10.339  2.8156 7.5676    114.979  280.417   148.947  -394.7791 180.871  14.187  4.5964 6.4914  3.2530 7.695403       5.631112 
1 1 1 1  8  17 o 13.494  5.4432 444.952   226.446  444.952   226.446  0.0000    0.0000   13.494  5.4432 ?       ?      ?              ?        
1 1 1 1  8  18 o 8.1202  3.8948 50.920    182.273  50.920    182.273  0.0000    0.0000   8.1202  3.8948 ?       ?      ?              ?        
1 1 1 1  9  0  o 81.794  23.961 8543.17   3404.79  0.0000    0.0000   8543.17   3404.79  81.794  23.961 81.794  23.961 -0.000000      0.000000 
1 1 1 1  9  1  o 144.625 28.108 30089.16  8383.44  29588.56  11848.82 30590.98  11863.13 143.134 39.897 146.115 39.604 -2.981583      56.21620 
1 1 1 1  9  2  o 64.209  10.207 4503.16   1280.07  4860.96   1813.70  4148.04   1806.91  66.914  14.002 61.504  14.856 5.410877       20.41483 
1 1 1 1  9  3  o 127.756 22.190 20153.25  5628.67  19879.51  7955.73  20427.58  7964.57  126.758 31.516 128.755 31.246 -1.997032      44.37969 
1 1 1 1  9  4  o 152.110 37.894 51469.70  14329.60 51342.09  20255.79 51597.54  20274.45 151.894 53.572 152.326 53.610 -0.4315643     75.78889 
1 1 1 1  9  5  o 44.941  7.3080 2179.68   643.165  2190.43   908.266  2168.87   910.884  45.060  10.303 44.822  10.367 0.2377739      14.61610 
1 1 1 1  9  6  o 110.349 23.452 20010.38  5600.66  20804.28  7920.97  19216.64  7920.09  113.227 32.973 107.471 33.358 5.755936       46.90425 
1 1 1 1  9  7  o 100.065 17.754 15137.80  3398.09  19133.42  5890.20  13144.60  4160.19  105.377 27.615 94.752  22.320 10.62428       35.50730 
1 1 1 1  9  8  o 47.454  5.3498 2438.75   507.701  2400.18   716.932  2477.55   719.068  47.053  7.6184 47.856  7.5128 -0.8035545     10.69962 
1 1 1 1  9  9  f 39.827  6.3899 2208.71   523.599  2816.25   642.410  1006.41   903.716  50.799  6.3231 28.855  11.106 21.94352       12.77987 
1 1 1 1  9  10 o 11.910  2.6130 136.084   68.583   93.709    87.293   204.426   110.858  10.028  3.5185 13.793  3.8642 -3.764936      5.226093 
1 1 1 1  9  11 o 29.534  4.8724 1030.35   270.882  955.945   332.284  1177.76   467.712  28.594  6.0017 30.475  7.6774 -1.880747      9.744872 
1 1 1 1  9  12 o 24.484  4.2411 701.055   198.547  603.774   244.738  888.342   339.581  22.425  5.4989 26.543  6.4583 -4.118046      8.482196 
1 1 1 1  9  13 f 18.517  3.7594 408.492   141.601  369.053   175.578  481.871   239.495  17.545  4.8443 19.489  5.7502 -1.943695      7.518743 
1 1 1 1  9  14 o 14.578  3.3942 262.882   116.122  300.098   142.836  190.339   199.421  15.813  4.3707 13.344  5.1943 2.469413       6.788463 
1 1 1 1  9  15 o 13.324  3.3099 162.084   119.193  2.5480    148.068  455.783   200.902  8.9121  3.9996 17.736  5.2748 -8.824391      6.619708 
1 1 1 1  9  16 o 16.615  4.3023 502.633   181.356  452.876   224.210  596.792   308.431  16.294  5.6432 16.936  6.4955 -0.6424770     8.604545 
1 1 1 1  9  17 o 12.780  4.0185 519.774   197.966  406.966   243.874  737.731   338.985  12.085  5.2915 13.475  6.0492 -1.389723      8.036925 
1 1 1 1  10 0  o 64.520  18.721 5211.16   2096.54  0.0000    0.0000   5211.16   2096.54  64.520  18.721 64.520  18.721 -0.000000      0.000000 
1 1 1 1  10 1  o 62.283  9.8471 4185.99   1196.01  4036.08   1687.33  4337.37   1695.53  61.106  14.094 63.461  13.756 -2.354980      19.69424 
1 1 1 1  10 2  o 151.534 28.691 31983.63  8882.10  33689.21  12568.07 30281.77  12554.30 156.528 39.998 146.540 41.146 9.988449       57.38300 
1 1 1 1  10 3  o 120.066 22.629 19798.67  5533.57  20012.61  7826.03  19584.77  7825.26  120.863 31.907 119.268 32.098 1.594856       45.25834 
1 1 1 1  10 4  o 129.014 28.153 28668.18  7990.99  28322.13  11293.79 29015.11  11308.16 128.010 39.851 130.018 39.778 -2.007187      56.30613 
1 1 1 1  10 5  o 73.484  12.399 6336.48   1796.89  6316.21   2537.99  6356.84   2544.39  73.363  17.536 73.604  17.534 -0.2409439     24.79831 
1 1 1 1  10 6  o 64.454  11.686 5316.90   1513.96  5175.06   2139.67  5459.12   2142.45  63.448  16.652 65.459  16.399 -2.011696      23.37108 
1 1 1 1  10 7  o 23.656  3.8278 620.404   173.305  480.900   300.667  689.813   212.081  21.297  6.4801 26.014  4.0763 -4.717443      7.655588 
1 1 1 1  10 8  o 45.923  7.1487 2570.04   612.192  3241.72   1061.71  2235.49   749.297  49.301  11.042 42.545  9.0822 6.755131       14.29737 
1 1 1 1  10 9  o 27.588  4.4226 850.268   227.385  897.784   397.152  827.096   277.341  27.731  7.1232 27.445  5.2439 0.2864704      8.845227 
1 1 1 1  10 10 o 11.110  2.4937 121.191   72.032   203.122   91.592   -11.6326  116.619  13.746  3.3599 8.4743  3.6859 5.271908       4.987409 
1 1 1 1  10 11 f 20.981  3.8145 548.984   161.663  633.518   198.428  382.105   278.797  23.870  4.3152 18.092  6.2913 5.778444       7.628975 
1 1 1 1  10 12 o 31.973  6.1212 1563.43   391.276  1532.07   480.184  1625.41   674.990  33.490  7.3690 30.456  9.7762 3.034670       12.24242 
1 1 1 1  10 13 o 19.419  3.5502 485.459   164.891  691.556   204.944  107.173   277.657  25.151  4.0743 13.687  5.8153 11.46403       7.100488 
1 1 1 1  10 14 f 16.651  3.6995 339.605   133.222  306.057   166.395  399.509   222.351  15.791  4.8242 17.511  5.6100 -1.720561      7.398973 
1 1 1 1  10 15 o 17.636  4.1857 481.008   171.720  468.041   216.028  503.264   283.020  17.878  5.5027 17.395  6.3089 0.4832191      8.371462 
1 1 1 1  10 16 o 14.363  3.7657 376.710   159.972  461.192   195.152  203.661   279.302  16.799  5.2399 11.927  5.4097 4.872599       7.531379 
1 1 1 1  10 17 o 12.483  3.8388 362.683   170.036  282.309   207.204  528.414   297.539  11.665  4.9914 13.300  5.8336 -1.635280      7.677539 
1 1 1 1  11 0  o 34.465  10.562 1493.96   636.370  0.0000    0.0000   1493.96   636.370  34.465  10.562 34.465  10.562 -0.000000      0.000000 
1 1 1 1  11 1  o 57.834  9.3368 3662.80   1056.23  3715.36   1490.12  3609.73   1497.39  58.286  13.101 57.381  13.306 0.9052277      18.67367 
1 1 1 1  11 2  o 96.338  17.130 11727.39  3297.84  11400.72  4666.53  12053.30  4661.17  94.751  24.458 97.925  23.989 -3.174469      34.25913 
1 1 1 1  11 3  o 122.784 25.246 23539.46  6571.15  23792.58  9298.38  23286.93  9287.64  123.614 35.647 121.954 35.759 1.659386       50.49193 
1 1 1 1  11 4  o 55.759  9.1399 3457.68   1000.13  3663.98   1412.28  3250.15   1416.52  57.559  12.616 53.959  13.228 3.600101       18.27981 
1 1 1 1  11 5  o 76.358  14.610 8144.49   2288.69  7684.04   3232.41  8607.39   3240.99  73.710  20.942 79.007  20.378 -5.297272      29.22027 
1 1 1 1  11 6  o 37.114  6.3655 1544.61   470.347  1781.57   664.005  1305.99   666.343  40.137  8.5344 34.091  9.4467 6.046261       12.73094 
1 1 1 1  11 7  o 36.672  6.4993 1573.57   476.056  1499.05   671.840  1648.71   674.657  35.729  9.3085 37.615  9.0728 -1.886295      12.99867 
1 1 1 1  11 8  o 18.712  3.4060 377.038   122.313  394.341   216.108  368.883   148.363  18.929  5.4274 18.496  4.1167 0.4334717      6.812064 
1 1 1 1  11 9  f 28.963  4.6900 959.753   254.003  1027.42   442.015  926.391   310.365  29.173  7.5259 28.752  5.5986 0.4212761      9.380003 
1 1 1 1  11 10 o 23.593  4.1814 657.530   189.707  651.637   329.043  660.464   232.180  23.037  6.7239 24.150  4.9727 -1.113525      8.362897 
1 1 1 1  11 11 o 26.185  4.5158 816.501   224.599  707.963   274.892  1034.45   389.540  24.130  5.7733 28.239  6.9454 -4.108501      9.031592 
1 1 1 1  11 12 o 35.235  6.6913 2049.31   494.084  2222.61   605.919  1705.41   853.552  40.726  7.7215 29.744  10.930 10.98264       13.38261 
1 1 1 1  11 13 o 26.475  4.9485 999.078   268.802  1106.65   330.613  789.288   461.698  30.067  5.7068 22.883  8.0861 7.183437       9.897081 
1 1 1 1  11 14 o 17.894  3.9450 424.986   154.399  441.592   189.419  392.107   266.530  18.772  4.9678 17.015  6.1297 1.757183       7.889986 
1 1 1 1  11 15 o 14.549  3.8022 393.935   163.205  489.462   202.847  218.591   274.821  17.101  5.3435 11.996  5.4105 5.104995       7.604378 
1 1 1 1  11 16 o 11.212  3.3652 189.118   143.701  287.346   179.354  13.007    240.153  12.829  4.9449 9.5945  4.5658 3.234647       6.730423 
1 1 1 1  11 17 o 8.7776  2.9727 81.753    141.545  -21.3145  179.101  253.231   231.015  7.6302  3.7083 9.9250  4.6473 -2.294737      5.945467 
1 1 1 1  12 0  o 51.088  15.137 3297.24   1345.25  0.0000    0.0000   3297.24   1345.25  51.088  15.137 51.088  15.137 -0.000000      0.000000 
1 1 1 1  12 1  o 102.548 18.732 13782.15  3869.84  13982.09  5468.78  13581.63  5476.80  103.460 26.356 101.637 26.625 1.822769       37.46342 
1 1 1 1  12 2  o 115.012 23.321 20189.68  5642.57  20160.98  7978.82  20218.39  7980.78  114.913 32.987 115.113 32.976 -0.1998825     46.64258 
1 1 1 1  12 3  o 33.190  5.5898 1177.70   366.400  1067.80   520.535  1285.64   515.832  31.620  8.1720 34.760  7.6292 -3.140095      11.17969 
1 1 1 1  12 4  o 29.369  5.0814 932.864   296.030  910.979   417.895  954.907   419.408  29.017  7.2278 29.721  7.1442 -0.7034340     10.16271 
1 1 1 1  12 5  o 39.062  6.6454 1708.01   513.049  1776.29   722.742  1638.66   728.414  39.911  9.2372 38.212  9.5561 1.699482       13.29075 
1 1 1 1  12 6  o 25.781  4.6354 726.610   239.676  689.686   336.806  764.491   341.142  25.115  6.6139 26.446  6.4966 -1.331284      9.270893 
1 1 1 1  12 7  o 27.250  5.0986 876.724   284.020  752.419   399.056  1004.33   404.325  25.198  7.4191 29.302  6.9959 -4.104385      10.19730 
1 1 1 1  12 8  o 26.840  4.3592 813.411   218.549  824.591   382.471  807.990   266.308  26.531  7.0774 27.150  5.0913 -0.6199055     8.718480 
1 1 1 1  12 9  o 20.968  3.6250 465.964   143.109  590.734   254.434  408.226   173.082  22.735  5.6261 19.200  4.5727 3.534771       7.250042 
1 1 1 1  12 10 o 35.890  5.7283 1524.92   387.432  2206.17   672.818  1186.97   473.885  41.255  8.4389 30.526  7.7486 10.72930       11.45665 
1 1 1 1  12 11 o 19.517  3.4525 378.489   133.581  719.419   238.634  222.912   161.203  24.850  4.9751 14.184  4.7884 10.66592       6.905059 
1 1 1 1  12 12 o 15.127  3.3773 276.775   116.652  323.323   144.135  188.397   198.604  16.667  4.2966 13.587  5.2120 3.080079       6.754693 
1 1 1 1  12 13 o 22.887  4.4913 714.883   207.239  714.502   253.488  715.652   359.878  23.810  5.4419 21.964  7.1465 1.845692       8.982645 
1 1 1 1  12 14 o 15.515  3.5757 334.617   146.414  467.850   183.695  102.540   242.442  18.980  4.8278 12.049  5.2758 6.930924       7.151338 
1 1 1 1  12 15 o 9.3217  2.8414 27.629    107.961  135.188   131.309  -196.7811 189.667  10.791  4.2110 7.8519  3.8161 2.939566       5.682856 
1 1 1 1  12 16 o 7.2010  2.5084 -154.1441 124.348  -136.7226 156.271  -184.2147 205.308  6.9108  3.3815 7.4911  3.7059 -0.5802684     5.016776 
1 1 1 1  12 17 o 6.9942  3.4710 -221.3868 151.236  -97.7724  185.494  -466.4766 261.191  6.9942  3.4710 ?       ?      ?              ?        
1 1 1 1  13 0  o 34.658  10.687 1522.55   648.148  1522.55   648.148  0.0000    0.0000   34.658  10.687 34.658  10.687 0.000000       0.000000 
1 1 1 1  13 1  o 24.514  6.1929 635.595   303.727  0.0000    0.0000   635.595   303.727  ?       ?      24.514  6.1929 ?              ?        
1 1 1 1  13 2  o 31.484  5.3576 1068.78   333.270  1065.36   469.604  1072.25   473.045  31.435  7.5617 31.532  7.5920 -0.9687805E-01 10.71528 
1 1 1 1  13 3  o 48.341  8.2365 2700.84   786.921  2726.42   1115.65  2675.52   1110.12  48.579  11.636 48.103  11.660 0.4766655      16.47305 
1 1 1 1  13 4  o 61.668  11.202 4866.29   1389.01  4873.16   1966.08  4859.45   1962.65  61.708  15.848 61.628  15.838 0.8081436E-01  22.40490 
1 1 1 1  13 5  o 42.112  7.3639 2081.57   617.055  2166.08   870.669  1996.28   874.639  43.070  10.255 41.154  10.571 1.915646       14.72771 
1 1 1 1  13 6  o 41.838  8.1002 2392.76   699.071  2227.51   984.404  2560.88   992.921  40.136  11.606 43.540  11.303 -3.403538      16.20037 
1 1 1 1  13 7  o 43.082  8.1689 2446.18   718.328  2453.57   1013.25  2438.71   1018.51  43.183  11.519 42.981  11.585 0.2019196      16.33775 
1 1 1 1  13 8  o 45.305  9.9908 3469.07   1003.35  3472.00   1415.97  3466.12   1421.96  45.370  14.108 45.240  14.150 0.1297951      19.98156 
1 1 1 1  13 9  o 12.193  2.7288 160.010   85.367   -16.4889  151.974  241.372   103.183  9.5059  4.1693 14.881  3.5218 -5.374643      5.457645 
1 1 1 1  13 10 f 19.745  3.7217 502.776   156.040  280.286   272.581  611.226   190.307  16.130  6.1254 23.361  4.2289 -7.230448      7.443437 
1 1 1 1  13 11 o 31.065  5.8789 1422.73   361.206  1531.19   621.737  1367.47   443.780  30.301  9.3366 31.828  7.1465 -1.527477      11.75777 
1 1 1 1  13 12 o 22.264  4.8083 656.903   239.083  817.752   342.393  503.852   333.991  24.923  6.7169 19.605  6.8821 5.318283       9.616677 
1 1 1 1  13 13 o 10.074  2.8804 27.415    94.699   -69.4050  121.826  175.245   150.535  7.5203  3.4709 12.628  4.5979 -5.108060      5.760872 
1 1 1 1  13 14 o 14.021  3.4680 263.698   126.804  329.529   159.174  149.349   209.784  15.855  4.6906 12.187  5.1095 3.667763       6.936053 
1 1 1 1  13 15 o 11.265  3.3039 162.899   133.246  258.645   167.975  0.3992    218.831  12.909  4.8289 9.6203  4.5105 3.288445       6.607744 
1 1 1 1  13 16 o 10.568  3.3707 193.826   141.174  108.236   171.923  371.003   247.359  9.2502  4.2144 11.886  5.2617 -2.635858      6.741361 
1 1 1 1  14 0  o 25.684  8.4965 860.820   388.000  860.820   388.000  0.0000    0.0000   25.684  8.4965 25.684  8.4965 0.000000       0.000000 
1 1 1 1  14 1  o 51.143  12.415 3057.28   1257.12  0.0000    0.0000   3057.28   1257.12  ?       ?      51.143  12.415 ?              ?        
1 1 1 1  14 2  o 46.061  7.8414 2435.85   713.704  2448.78   1006.66  2422.79   1012.02  46.207  11.043 45.914  11.135 0.2930069      15.68273 
1 1 1 1  14 3  o 70.953  14.405 7622.85   2152.19  7734.72   3046.20  7511.35   3041.11  71.595  20.326 70.311  20.418 1.284210       28.81071 
1 1 1 1  14 4  f 48.626  8.7482 2933.08   852.834  2926.94   1208.39  2939.18   1203.81  48.552  12.400 48.699  12.343 -0.1472588     17.49636 
1 1 1 1  14 5  o 35.981  6.6848 1616.89   487.307  1612.95   688.349  1620.83   689.965  35.938  9.4509 36.023  9.4565 -0.8552170E-01 13.36961 
1 1 1 1  14 6  o 51.585  11.314 4493.02   1289.22  4607.10   1820.09  4378.15   1826.40  52.477  15.938 50.692  16.061 1.785252       22.62724 
1 1 1 1  14 7  o 34.336  6.8284 1617.82   488.596  1567.99   686.946  1668.83   695.085  33.754  9.6761 34.919  9.6375 -1.164734      13.65677 
1 1 1 1  14 8  o 40.693  8.4775 2507.38   736.662  2512.24   1038.31  2502.45   1045.31  40.787  11.955 40.598  12.023 0.1886215      16.95507 
1 1 1 1  14 9  o 23.862  4.2503 692.152   196.221  617.727   344.792  727.803   238.634  22.308  6.9660 25.416  4.8719 -3.107218      8.500633 
1 1 1 1  14 10 o 19.124  3.6876 420.095   139.672  496.422   238.108  380.054   172.459  20.172  5.6675 18.077  4.7194 2.094990       7.375147 
1 1 1 1  14 11 o 30.048  5.6183 1270.39   329.277  1489.58   569.313  1160.22   403.639  30.735  8.8082 29.361  6.9768 1.374302       11.23654 
1 1 1 1  14 12 o 29.365  5.4062 1144.36   307.908  1542.25   532.985  945.051   377.224  32.385  8.2160 26.346  7.0290 6.038950       10.81246 
1 1 1 1  14 13 o 21.056  4.8313 642.654   239.932  476.536   337.082  813.250   341.594  18.306  6.8420 23.806  6.8229 -5.500143      9.662569 
1 1 1 1  14 14 o 14.735  3.8824 358.147   151.079  243.044   190.137  555.276   248.828  12.436  4.9978 17.035  5.9424 -4.599613      7.764710 
1 1 1 1  14 15 o 12.166  3.5282 252.814   146.190  323.853   183.468  129.269   241.948  13.633  5.0571 10.700  4.9213 2.932543       7.056448 
1 1 1 1  14 16 f 9.7559  3.1724 159.442   145.419  206.168   184.232  82.217    236.846  10.331  4.5586 9.1812  4.4132 1.149318       6.344863 
1 1 1 1  15 0  o 18.317  6.7524 456.520   229.035  456.520   229.035  0.0000    0.0000   18.317  6.7524 18.317  6.7524 0.000000       0.000000 
1 1 1 1  15 1  o 46.642  11.648 2615.68   1083.32  0.0000    0.0000   2615.68   1083.32  ?       ?      46.642  11.648 ?              ?        
1 1 1 1  15 2  o 36.839  6.4072 1551.85   468.797  1566.80   660.250  1536.65   665.742  37.046  9.0002 36.633  9.1216 0.4121819      12.81432 
1 1 1 1  15 3  o 37.285  6.6485 1652.84   495.693  1666.73   701.336  1638.97   700.695  37.456  9.3821 37.114  9.4228 0.3421440      13.29708 
1 1 1 1  15 4  o 37.139  7.1431 1819.43   545.537  1707.83   773.680  1929.78   769.350  35.800  10.271 38.478  9.9303 -2.677967      14.28622 
1 1 1 1  15 5  o 16.677  3.4728 298.832   123.726  283.783   174.383  314.088   175.573  16.302  4.9294 17.051  4.8929 -0.7487335     6.945508 
1 1 1 1  15 6  o 24.576  4.8446 729.144   247.102  712.062   348.811  746.353   350.101  24.278  6.8731 24.873  6.8295 -0.5945435     9.689203 
1 1 1 1  15 7  f 17.800  3.7351 352.724   148.361  467.529   205.555  227.887   214.348  20.402  5.0618 15.197  5.4937 5.204626       7.470129 
1 1 1 1  15 8  o 33.813  7.0110 1660.10   506.121  1763.22   713.697  1555.77   717.849  35.101  9.7945 32.525  10.034 2.575691       14.02194 
1 1 1 1  15 9  o 18.131  4.0588 395.592   164.865  384.935   228.338  407.198   238.288  17.915  5.6793 18.348  5.8001 -0.4328823     8.117610 
1 1 1 1  15 10 o 16.967  3.5482 361.558   131.968  223.674   238.308  422.543   158.487  14.717  5.6922 19.217  4.2376 -4.499841      7.096403 
1 1 1 1  15 11 o 37.906  7.7503 2480.19   597.725  3003.13   1035.83  2219.13   731.871  38.452  12.085 37.359  9.7069 1.092861       15.50054 
1 1 1 1  15 12 o 23.440  4.6184 818.680   232.138  612.350   402.582  921.455   284.131  19.831  7.4644 27.049  5.4407 -7.217531      9.236820 
1 1 1 1  15 13 o 15.748  3.7949 308.777   140.231  574.312   247.801  183.679   170.086  19.249  5.8883 12.248  4.7889 7.001124       7.589857 
1 1 1 1  15 14 o 12.937  3.8064 233.079   163.136  299.988   239.695  175.339   222.664  13.826  5.5922 12.049  5.1654 1.777878       7.612743 
1 1 1 1  15 15 o 12.264  3.4705 328.425   147.206  412.432   178.763  151.459   259.457  14.469  5.0374 10.060  4.7752 4.408974       6.940989 
1 1 1 1  15 16 o 7.6625  2.6513 12.639    136.440  50.253    173.180  -48.9160  221.543  7.8098  3.7589 7.5151  3.7401 0.2946615      5.302620 
1 1 1 1  16 0  o 62.239  26.972 8696.54   3465.89  0.0000    0.0000   8696.54   3465.89  62.239  26.972 62.239  26.972 -0.000000      0.000000 
1 1 1 1  16 1  o 22.295  5.9840 555.601   272.412  0.0000    0.0000   555.601   272.412  ?       ?      22.295  5.9840 ?              ?        
1 1 1 1  16 2  o 42.437  8.6391 2642.66   777.631  2905.00   1096.95  2377.65   1102.54  45.061  11.969 39.813  12.461 5.247974       17.27816 
1 1 1 1  16 3  o 52.012  12.624 5578.30   1585.33  5606.13   2241.37  5550.44   2242.62  52.195  17.854 51.830  17.853 0.3654213      25.24880 
1 1 1 1  16 4  o 30.793  5.5924 1108.25   347.523  990.625   492.123  1225.26   490.822  29.045  8.1433 32.542  7.6673 -3.496803      11.18488 
1 1 1 1  16 5  o 42.034  9.6617 3209.87   931.178  3317.50   1318.81  3102.87   1314.97  42.925  13.653 41.143  13.674 1.782509       19.32336 
1 1 1 1  16 6  o 16.460  3.4727 289.237   131.009  150.372   184.606  430.132   185.950  13.272  5.0407 19.648  4.7780 -6.376540      6.945394 
1 1 1 1  16 7  o 23.326  4.7423 671.408   238.368  831.528   337.243  511.552   336.965  26.136  6.4831 20.516  6.9230 5.619745       9.484616 
1 1 1 1  16 8  o 13.096  3.2926 157.885   115.939  276.764   166.146  45.057    161.862  15.561  4.8317 10.632  4.4744 4.929251       6.585271 
1 1 1 1  16 9  o 21.453  4.6749 607.310   222.072  528.141   313.940  686.597   314.174  20.031  6.6826 22.875  6.5393 -2.844831      9.349813 
1 1 1 1  16 10 o 25.065  4.5680 782.281   221.491  1028.98   382.151  657.485   271.799  27.454  6.9526 22.675  5.9270 4.778675       9.136053 
1 1 1 1  16 11 f 32.766  5.9482 1487.25   376.953  2135.77   656.572  1168.39   460.390  37.202  8.9364 28.331  7.8528 8.870872       11.89646 
1 1 1 1  16 12 o 15.255  3.7243 291.970   137.874  219.300   246.875  324.910   166.210  14.248  5.7059 16.262  4.7881 -2.014203      7.448685 
1 1 1 1  16 13 o 13.276  3.6518 280.154   135.107  329.329   228.936  253.874   167.359  13.668  5.4872 12.885  4.8200 0.7822685      7.303563 
1 1 1 1  16 14 o 14.892  4.4189 497.171   220.915  448.233   295.292  559.378   332.925  14.480  6.0659 15.303  6.4275 -0.8239613     8.837838 
1 1 1 1  16 15 o 8.7750  2.9768 2.3752    150.185  0.2091    224.950  4.1171    201.730  8.8715  4.2735 8.6786  4.1450 0.1929731      5.953510 
1 1 1 1  17 0  o 17.138  6.6165 413.092   215.185  0.0000    0.0000   413.092   215.185  17.138  6.6165 17.138  6.6165 -0.000000      0.000000 
1 1 1 1  17 1  o 29.109  7.5254 980.168   441.326  0.0000    0.0000   980.168   441.326  ?       ?      29.109  7.5254 ?              ?        
1 1 1 1  17 2  o 31.338  5.7161 1157.25   361.726  1261.90   508.930  1050.41   514.228  32.897  7.8454 29.780  8.3153 3.117466       11.43218 
1 1 1 1  17 3  o 25.046  4.7844 746.850   245.449  773.508   345.608  719.720   348.647  25.533  6.6881 24.558  6.8432 0.9744434      9.568723 
1 1 1 1  17 4  o 36.310  7.0230 1753.40   524.737  1745.65   743.059  1761.12   741.127  36.206  9.9529 36.414  9.9111 -0.2080040     14.04600 
1 1 1 1  17 5  o 17.596  3.7869 339.544   146.343  276.026   201.175  410.932   213.274  16.085  5.3486 19.106  5.3622 -3.021246      7.573720 
1 1 1 1  17 6  o 11.256  2.8604 116.005   84.053   68.803    120.181  161.200   117.598  10.104  4.0022 12.407  4.0876 -2.303506      5.720706 
1 1 1 1  17 7  o 25.118  5.1692 836.506   278.385  706.044   392.496  968.576   394.907  22.987  7.4626 27.249  7.1549 -4.261827      10.33841 
1 1 1 1  17 8  o 26.407  5.6234 998.591   327.000  1165.95   458.308  825.046   466.702  28.992  7.7535 23.822  8.1469 5.170097       11.24670 
1 1 1 1  17 9  o 9.4898  2.8908 3.1614    100.366  54.599    147.242  -41.4801  137.171  10.409  4.3153 8.5709  3.8478 1.837883       5.781692 
1 1 1 1  17 10 o 32.206  8.5746 2543.10   751.401  2534.04   1059.99  2552.26   1065.31  32.180  12.112 32.232  12.140 -0.5149841E-01 17.14916 
1 1 1 1  17 11 o 10.529  2.9538 89.062    96.723   -64.2427  185.107  146.639   113.441  9.4613  4.3342 11.596  4.0142 -2.134706      5.907557 
1 1 1 1  17 12 o 15.889  3.5609 376.396   153.346  82.731    255.637  541.460   191.656  11.649  5.2394 20.129  4.8237 -8.480212      7.121734 
1 1 1 1  17 13 o 19.227  4.1002 704.920   215.206  264.882   388.624  899.540   258.451  13.509  6.2222 24.946  5.3414 -11.43619      8.200417 
1 1 1 1  17 14 f 7.3740  2.5767 -164.8352 127.094  -206.7122 234.303  -147.3767 151.285  7.9315  3.9300 6.8166  3.3336 1.114950       5.153439 
1 1 1 1  17 15 o 7.5494  2.6638 -68.8555  159.265  8.8747    245.443  -125.3866 209.315  7.9879  3.9690 7.1108  3.5539 0.8771176      5.327600 
1 1 1 1  18 0  o 25.197  8.8490 895.221   404.363  0.0000    0.0000   895.221   404.363  25.197  8.8490 25.197  8.8490 -0.000000      0.000000 
1 1 1 1  18 1  o 10.389  3.7269 97.539    98.431   0.0000    0.0000   97.539    98.431   ?       ?      10.389  3.7269 ?              ?        
1 1 1 1  18 2  o 14.833  4.5980 235.252   150.528  0.0000    0.0000   235.252   150.528  ?       ?      14.833  4.5980 ?              ?        
1 1 1 1  18 3  o 20.909  4.1038 502.449   179.373  582.144   252.356  421.070   255.007  22.570  5.6138 19.249  5.9875 3.321119       8.207628 
1 1 1 1  18 4  o 34.790  6.8689 1641.19   496.241  1652.69   702.136  1629.72   701.446  34.928  9.7036 34.651  9.7246 0.2772484      13.73784 
1 1 1 1  18 5  o 29.823  5.9511 1179.02   370.745  1133.34   526.655  1223.90   522.000  29.148  8.5063 30.498  8.3249 -1.349966      11.90218 
1 1 1 1  18 6  f 19.545  4.1903 464.120   178.348  514.936   258.204  417.754   246.638  20.498  5.9486 18.592  5.9034 1.906160       8.380691 
1 1 1 1  18 7  o 23.425  4.9726 727.058   252.926  802.838   357.207  650.867   358.176  24.724  6.9399 22.125  7.1235 2.599104       9.945201 
1 1 1 1  18 8  o 20.125  4.4620 509.166   199.831  512.269   282.988  506.079   282.221  20.182  6.3123 20.069  6.3081 0.1129913      8.924003 
1 1 1 1  18 9  o 13.609  3.6113 182.827   133.626  223.059   192.833  145.662   185.340  14.403  5.2101 12.814  5.0021 1.589665       7.222622 
1 1 1 1  18 10 o 15.095  3.7846 277.704   149.744  373.990   203.594  164.233   221.017  17.063  5.3569 13.126  5.3475 3.937217       7.569168 
1 1 1 1  18 11 o 18.864  4.0487 415.176   158.364  693.053   287.959  294.694   189.612  22.382  6.2129 15.347  5.1931 7.035220       8.097473 
1 1 1 1  18 12 f 11.890  3.4894 203.943   128.720  243.091   240.773  188.277   152.314  12.258  5.3137 11.523  4.5242 0.7344885      6.978822 
1 1 1 1  18 13 f 10.311  3.2715 14.176    126.614  308.937   240.140  -99.3159  149.009  13.177  5.4910 7.4457  3.5579 5.731598       6.542925 
1 1 1 1  18 14 o 8.5289  2.9344 -48.2991  128.086  185.794   258.741  -124.2873 147.416  10.286  4.8483 6.7715  3.3072 3.514849       5.868841 
1 1 1 1  19 0  o 21.251  7.7353 636.233   302.535  0.0000    0.0000   636.233   302.535  21.251  7.7353 21.251  7.7353 -0.000000      0.000000 
1 1 1 1  19 1  o 26.968  7.2967 879.322   403.105  0.0000    0.0000   879.322   403.105  ?       ?      26.968  7.2967 ?              ?        
1 1 1 1  19 2  o 38.025  11.789 2370.36   989.481  0.0000    0.0000   2370.36   989.481  ?       ?      38.025  11.789 ?              ?        
1 1 1 1  19 3  o 35.790  7.6086 1992.09   590.869  1832.88   832.162  2153.97   839.112  34.051  10.847 37.530  10.673 -3.478928      15.21721 
1 1 1 1  19 4  o 13.595  3.3073 188.751   111.199  246.417   155.886  129.008   158.669  14.946  4.6867 12.244  4.6677 2.701604       6.614570 
1 1 1 1  19 5  o 8.9725  2.6965 18.240    84.578   32.846    114.749  0.8664    125.150  9.1035  3.7948 8.8416  3.8319 0.2619162      5.392937 
1 1 1 1  19 6  f 25.833  5.5181 944.551   309.486  895.097   435.491  995.012   439.901  25.093  7.8277 26.573  7.7798 -1.480297      11.03619 
1 1 1 1  19 7  o 25.528  5.4121 906.875   302.560  753.920   428.324  1059.20   427.446  23.160  7.8053 27.897  7.4994 -4.737396      10.82422 
1 1 1 1  19 8  o 28.469  6.2371 1241.24   391.734  1204.93   549.435  1278.77   558.674  28.039  8.7997 28.899  8.8415 -0.8592377     12.47427 
1 1 1 1  19 9  o 18.254  4.2777 423.465   183.895  520.611   268.324  337.420   252.527  19.945  6.1316 16.563  5.9665 3.381624       8.555476 
1 1 1 1  19 10 o 19.341  4.6736 542.550   218.239  631.190   317.614  463.268   300.380  20.676  6.7131 18.005  6.5042 2.671114       9.347241 
1 1 1 1  19 11 f 7.6000  2.5441 -118.1046 103.900  -178.4919 151.720  -64.7743  142.579  7.1782  3.4706 8.0219  3.7208 -0.8436346     5.088166 
1 1 1 1  19 12 o 11.089  3.2873 138.186   121.264  113.513   203.155  151.843   151.143  10.998  4.8221 11.179  4.4690 -0.1815758     6.574562 
1 1 1 1  19 13 o 10.246  3.2276 158.199   131.616  158.316   220.850  158.134   163.901  10.278  4.7179 10.214  4.4059 0.6456852E-01  6.455229 
1 1 1 1  19 14 o 8.1703  2.7963 12.220    125.318  283.691   217.838  -122.0651 153.209  9.8977  4.5938 6.4428  3.1898 3.454916       5.592629 
1 1 1 1  20 0  o 16.249  6.7486 395.837   218.486  395.837   218.486  0.0000    0.0000   16.249  6.7486 16.249  6.7486 0.000000       0.000000 
1 1 1 1  20 1  o 19.681  5.9410 459.378   253.455  0.0000    0.0000   459.378   253.455  ?       ?      19.681  5.9410 ?              ?        
1 1 1 1  20 2  o 27.621  8.0468 1049.67   471.652  0.0000    0.0000   1049.67   471.652  ?       ?      27.621  8.0468 ?              ?        
1 1 1 1  20 3  f 23.270  4.8412 706.101   243.366  819.537   343.043  591.160   345.312  25.267  6.6848 21.272  7.0043 3.995558       9.682302 
1 1 1 1  20 4  o 13.043  3.3079 174.029   110.226  199.636   153.380  146.679   158.513  13.613  4.6702 12.472  4.6859 1.140817       6.615780 
1 1 1 1  20 5  f 17.171  3.8977 351.727   157.304  232.773   220.173  475.758   224.822  14.693  5.5222 19.650  5.5022 -4.956733      7.795443 
1 1 1 1  20 6  o 14.130  3.5609 208.150   128.302  153.040   177.479  268.479   185.693  12.878  4.9301 15.383  5.1395 -2.505305      7.121815 
1 1 1 1  20 7  o 30.166  6.7923 1490.37   462.351  1413.79   654.518  1566.65   653.210  29.216  9.6443 31.117  9.5671 -1.900417      13.58458 
1 1 1 1  20 8  o 14.521  3.6582 230.161   134.799  300.846   200.320  171.667   182.230  15.905  5.3380 13.137  5.0037 2.767889       7.316449 
1 1 1 1  20 9  o 11.807  3.4212 116.591   129.080  135.589   182.521  97.583    182.573  12.123  4.8881 11.491  4.7881 0.6322451      6.842456 
1 1 1 1  20 10 o 10.307  3.1174 53.680    122.129  162.037   163.677  -82.4250  183.441  11.814  4.6735 8.7992  4.1268 3.014886       6.234798 
1 1 1 1  20 11 o 12.001  3.6688 173.532   162.811  252.568   234.984  100.560   225.790  12.971  5.4206 11.031  4.9456 1.939497       7.337664 
1 1 1 1  20 12 o 9.0671  2.9015 51.643    104.386  -35.6780  226.956  75.071    117.558  9.2016  4.3953 8.9327  3.7891 0.2689285      5.803076 
1 1 1 1  20 13 o 10.145  2.9769 104.025   128.592  -281.5412 215.845  316.169   160.106  7.1874  3.5947 13.103  4.7462 -5.915678      5.953890 
1 1 1 1  21 0  o 33.938  13.528 2117.72   888.427  0.0000    0.0000   2117.72   888.427  33.938  13.528 33.938  13.528 -0.000000      0.000000 
1 1 1 1  21 1  o 25.762  7.7035 914.792   427.629  0.0000    0.0000   914.792   427.629  ?       ?      25.762  7.7035 ?              ?        
1 1 1 1  21 2  o 12.501  4.6610 151.637   156.249  0.0000    0.0000   151.637   156.249  ?       ?      12.501  4.6610 ?              ?        
1 1 1 1  21 3  o 14.818  5.0884 251.468   182.101  0.0000    0.0000   251.468   182.101  ?       ?      14.818  5.0884 ?              ?        
1 1 1 1  21 4  o 19.751  4.3079 490.704   189.402  570.468   265.967  408.634   269.785  21.331  5.9887 18.171  6.1943 3.160139       8.615844 
1 1 1 1  21 5  o 11.052  3.1123 88.651    105.982  146.575   147.282  26.450    152.623  12.143  4.5257 9.9608  4.2736 2.182046       6.224621 
1 1 1 1  21 6  o 26.216  5.7044 1001.42   328.429  1018.46   462.424  984.065   466.542  26.500  8.0304 25.932  8.1040 0.5683594      11.40883 
1 1 1 1  21 7  o 12.749  3.4477 158.726   123.004  137.036   175.902  179.481   172.070  12.356  4.8586 13.141  4.8930 -0.7851200     6.895402 
1 1 1 1  21 8  o 14.422  3.7122 251.027   140.766  296.996   190.116  195.243   209.431  15.381  5.2000 13.464  5.2991 1.917430       7.424322 
1 1 1 1  21 9  o 20.901  5.7653 1062.14   349.794  1128.85   488.608  992.000   500.991  21.800  8.2196 20.002  8.0866 1.797241       11.53064 
1 1 1 1  21 10 o 15.617  4.5449 568.661   235.750  720.418   332.075  414.457   334.742  17.433  6.7260 13.801  6.1145 3.632506       9.089845 
1 1 1 1  21 11 o 9.0258  3.0303 -55.2827  147.264  -28.1774  217.153  -78.3628  200.382  9.3621  4.4215 8.6894  4.1449 0.6727257      6.060522 
1 1 1 1  21 12 o 9.7992  3.2794 152.603   175.400  -12.7608  252.779  306.154   243.583  8.6408  4.2429 10.958  5.0016 -2.316839      6.558830 
1 1 1 1  21 13 o 7.6034  2.6317 24.957    125.894  -3.9825   256.095  34.179    144.568  7.8101  3.9076 7.3968  3.5262 0.4133286      5.263391 
1 1 1 1  22 0  o 20.547  8.2183 660.613   327.539  660.613   327.539  0.0000    0.0000   20.547  8.2183 20.547  8.2183 0.000000       0.000000 
1 1 1 1  22 1  o 20.928  4.4339 547.124   200.590  482.674   275.234  620.137   292.949  19.680  6.2349 22.177  6.3059 -2.497236      8.867807 
1 1 1 1  22 2  f 30.265  9.6177 1489.69   654.535  0.0000    0.0000   1489.69   654.535  ?       ?      30.265  9.6177 ?              ?        
1 1 1 1  22 3  o 22.620  7.1024 719.903   357.872  0.0000    0.0000   719.903   357.872  ?       ?      22.620  7.1024 ?              ?        
1 1 1 1  22 4  o 12.744  3.1328 137.424   112.968  297.316   156.936  -34.5230  162.745  16.045  4.6323 9.4438  4.2188 6.600914       6.265504 
1 1 1 1  22 5  o 12.267  2.8468 87.926    108.522  333.127   149.401  -185.9587 157.898  16.936  4.3785 7.5988  3.6395 9.337300       5.693640 
1 1 1 1  22 6  o 17.276  4.2396 398.376   179.155  411.868   248.897  383.871   258.078  17.557  5.9498 16.996  6.0413 0.5609913      8.479220 
1 1 1 1  22 7  o 11.422  3.1927 95.789    116.428  -28.5101  166.440  214.894   162.926  9.3371  4.2109 13.506  4.8002 -4.168930      6.385400 
1 1 1 1  22 8  o 16.634  4.4461 466.512   202.946  504.592   288.245  429.077   285.789  17.209  6.3476 16.059  6.2274 1.149523       8.892269 
1 1 1 1  22 9  f 14.242  4.0127 389.335   181.478  246.371   267.530  511.195   246.996  12.267  5.4490 16.218  5.8919 -3.951056      8.025380 
1 1 1 1  22 10 o 9.5351  3.0415 -5.6856   126.577  189.702   193.896  -150.7880 167.093  11.614  4.8930 7.4560  3.6139 4.158276       6.082900 
1 1 1 1  22 11 o 10.613  3.3824 196.558   151.612  209.041   214.963  184.202   213.864  10.750  4.8221 10.476  4.7445 0.2733526      6.764834 
1 1 1 1  22 12 o 8.9469  3.0823 50.827    177.347  244.182   258.060  -122.2202 244.133  10.036  4.7635 7.8575  3.9130 2.178750       6.164616 
1 1 1 1  23 0  o 7.0430  4.3145 49.700    116.403  49.700    116.403  0.0000    0.0000   7.0430  4.3145 7.0430  4.3145 0.000000       0.000000 
1 1 1 1  23 1  o 13.582  3.3500 187.572   114.844  110.314   155.584  280.060   170.230  11.614  4.5686 15.550  4.9009 -3.935512      6.700076 
1 1 1 1  23 2  f 16.680  5.6898 335.475   227.633  0.0000    0.0000   335.475   227.633  ?       ?      16.680  5.6898 ?              ?        
1 1 1 1  23 3  o 9.1474  4.1052 -38.1819  155.998  0.0000    0.0000   -38.1819  155.998  ?       ?      9.1474  4.1052 ?              ?        
1 1 1 1  23 4  o 16.175  3.7133 319.411   146.607  445.342   201.155  176.726   214.118  18.931  5.1680 13.419  5.3337 5.512212       7.426685 
1 1 1 1  23 5  o 13.651  3.5215 190.314   133.223  62.121    184.259  330.733   192.846  11.066  4.7204 16.235  5.2270 -5.168696      7.042948 
1 1 1 1  23 6  o 15.841  3.9274 297.689   164.037  138.202   227.799  469.457   236.407  12.853  5.3513 18.829  5.7498 -5.976290      7.854743 
1 1 1 1  23 7  o 17.410  4.5084 510.326   206.846  407.354   281.650  630.892   304.765  15.782  6.1648 19.038  6.5802 -3.256318      9.016883 
1 1 1 1  23 8  o 8.4691  2.8085 -43.2158  120.755  -92.0872  171.192  5.1800    170.357  8.0010  3.8206 8.9371  4.1176 -0.9360847     5.617027 
1 1 1 1  23 9  o 8.9171  2.9586 -36.2393  133.733  -59.2972  189.661  -13.4393  188.597  8.7116  4.1198 9.1227  4.2475 -0.4110575     5.917238 
1 1 1 1  23 10 o 11.829  3.6961 260.893   172.505  125.500   228.438  440.552   263.145  10.190  4.7205 13.469  5.6886 -3.278886      7.392110 
1 1 1 1  23 11 o 8.9438  3.0139 -1.7186   155.219  175.150   213.450  -200.2140 226.124  10.225  4.6731 7.6622  3.8075 2.563266       6.027848 
1 1 1 1  24 0  o 27.430  11.765 1523.24   660.480  0.0000    0.0000   1523.24   660.480  27.430  11.765 27.430  11.765 -0.000000      0.000000 
1 1 1 1  24 1  o 16.631  4.0277 359.789   162.260  309.076   226.794  412.967   232.244  15.624  5.6504 17.639  5.7411 -2.015465      8.055315 
1 1 1 1  24 2  o 19.880  6.6893 569.809   314.593  0.0000    0.0000   569.809   314.593  ?       ?      19.880  6.6893 ?              ?        
1 1 1 1  24 3  o 17.629  6.1006 421.391   262.000  0.0000    0.0000   421.391   262.000  ?       ?      17.629  6.1006 ?              ?        
1 1 1 1  24 4  o 17.195  4.1032 388.712   169.603  302.802   233.369  484.885   246.914  15.478  5.7110 18.912  5.8932 -3.434310      8.206425 
1 1 1 1  24 5  o 9.0115  2.7420 -67.0439  104.379  147.778   148.064  -279.2786 147.169  11.668  4.4942 6.3546  3.1425 5.313874       5.483900 
1 1 1 1  24 6  o 10.185  3.1488 16.614    126.097  -96.4934  171.558  149.524   185.970  8.4572  3.9743 11.913  4.8852 -3.456191      6.297627 
1 1 1 1  24 7  o 10.245  3.2311 76.581    135.482  24.990    192.137  127.599   191.067  9.6291  4.4128 10.862  4.7210 -1.232535      6.462270 
1 1 1 1  24 8  o 12.355  3.5909 200.826   149.635  40.689    198.497  411.611   227.734  9.7510  4.4748 14.959  5.6173 -5.207767      7.181762 
1 1 1 1  24 9  o 10.565  3.3172 167.809   140.109  177.326   197.881  158.242   198.409  10.683  4.7186 10.448  4.6635 0.2343187      6.634304 
1 1 1 1  24 10 o 8.7469  2.8863 11.864    127.908  -120.5509 179.217  149.336   182.608  7.4662  3.6465 10.028  4.4750 -2.561289      5.772548 
1 1 1 1  24 11 o 8.5092  2.8513 32.726    145.160  -309.2393 225.230  275.692   189.848  6.6775  3.3811 10.341  4.5921 -3.663527      5.702576 
1 1 1 1  25 0  o 24.627  10.135 1094.76   494.023  1094.76   494.023  0.0000    0.0000   24.627  10.135 24.627  10.135 0.000000       0.000000 
1 1 1 1  25 1  o 13.259  3.2823 155.178   118.068  10.813    154.796  355.990   182.568  9.6373  4.2178 16.880  5.0303 -7.242802      6.564557 
1 1 1 1  25 2  o 18.164  6.4341 490.153   292.485  0.0000    0.0000   490.153   292.485  ?       ?      18.164  6.4341 ?              ?        
1 1 1 1  25 3  o 16.841  6.3600 492.523   292.829  0.0000    0.0000   492.523   292.829  ?       ?      16.841  6.3600 ?              ?        
1 1 1 1  25 4  o 9.5100  4.3123 -12.7424  177.322  0.0000    0.0000   -12.7424  177.322  ?       ?      9.5100  4.3123 ?              ?        
1 1 1 1  25 5  o 15.647  4.2421 486.589   200.862  255.236   276.104  746.678   292.750  12.354  5.5088 18.940  6.4525 -6.585905      8.484241 
1 1 1 1  25 6  o 13.488  3.8734 269.877   164.835  321.225   230.969  216.579   235.315  14.273  5.5806 12.704  5.3731 1.568995       7.746868 
1 1 1 1  25 7  o 12.304  3.7534 240.638   168.271  256.154   239.888  225.607   236.099  12.494  5.3590 12.115  5.2568 0.3789492      7.506859 
1 1 1 1  25 8  o 9.3016  3.0827 58.411    144.360  50.288    206.745  66.140    201.661  9.2500  4.3519 9.3532  4.3673 -0.1032057     6.165447 
1 1 1 1  25 9  o 8.7044  2.9446 -20.1513  147.978  106.949   206.947  -153.1307 211.679  9.6391  4.4751 7.7697  3.8284 1.869415       5.889186 
1 1 1 1  25 10 o 8.3670  2.8780 -11.6101  159.060  321.816   223.423  -354.2773 226.498  10.244  4.7181 6.4902  3.2972 3.753698       5.756039 
1 1 1 1  26 0  o 14.813  7.3071 456.961   259.271  456.961   259.271  0.0000    0.0000   14.813  7.3071 14.813  7.3071 0.000000       0.000000 
1 1 1 1  26 1  o 7.7950  2.5556 -45.8070  90.359   -79.2002  112.913  13.664    150.684  6.7286  3.1810 8.8615  4.0006 -2.132922      5.111106 
1 1 1 1  26 2  o 12.582  5.2952 260.908   226.709  0.0000    0.0000   260.908   226.709  ?       ?      12.582  5.2952 ?              ?        
1 1 1 1  26 3  o 8.9118  4.1169 -8.8526   171.983  0.0000    0.0000   -8.8526   171.983  ?       ?      8.9118  4.1169 ?              ?        
1 1 1 1  26 4  o 11.194  4.7697 128.718   187.776  0.0000    0.0000   128.718   187.776  ?       ?      11.194  4.7697 ?              ?        
1 1 1 1  26 5  o 9.0543  2.9116 5.3314    114.181  -68.9046  148.662  112.119   178.301  7.7262  3.6518 10.382  4.5357 -2.656159      5.823118 
1 1 1 1  26 6  o 9.3589  3.0571 30.187    136.766  115.980   189.890  -62.2889  197.146  10.197  4.5561 8.5206  4.0773 1.676614       6.114103 
1 1 1 1  26 7  f 9.0358  3.0456 67.589    153.029  108.445   212.544  23.615    220.508  9.3418  4.4004 8.7299  4.2118 0.6118917      6.091229 
1 1 1 1  26 8  o 8.2108  2.7751 -11.6453  129.213  -94.4861  212.511  36.944    162.754  7.9911  3.9171 8.4306  3.9321 -0.4394817     5.550244 
1 1 1 1  26 9  o 7.9068  2.7473 -67.0937  149.788  -326.2546 207.250  216.322   216.732  6.3696  3.2273 9.4439  4.4470 -3.074375      5.494639 
1 1 1 1  27 0  o 6.8490  4.5236 17.928    160.423  0.0000    0.0000   17.928    160.423  6.8490  4.5236 6.8490  4.5236 -0.000000      0.000000 
1 1 1 1  27 1  o 7.0413  3.5303 -417.3850 214.174  0.0000    0.0000   -417.3850 214.174  ?       ?      7.0413  3.5303 ?              ?        
1 1 1 1  27 2  o 12.655  5.3845 270.694   238.655  0.0000    0.0000   270.694   238.655  ?       ?      12.655  5.3845 ?              ?        
1 1 1 1  27 3  o 13.970  5.8482 389.855   274.186  0.0000    0.0000   389.855   274.186  ?       ?      13.970  5.8482 ?              ?        
1 1 1 1  27 4  f 12.498  5.3852 312.346   244.316  0.0000    0.0000   312.346   244.316  ?       ?      12.498  5.3852 ?              ?        
1 1 1 1  27 5  o 8.6965  2.8814 35.138    124.224  19.206    162.634  57.450    192.469  8.3535  3.9076 9.0394  4.2356 -0.6859093     5.762729 
1 1 1 1  27 6  o 8.8267  2.9720 28.117    144.280  22.201    201.085  34.393    207.134  8.7510  4.1682 8.9024  4.2376 -0.1513653     5.943949 
1 1 1 1  27 7  o 8.7141  2.9780 93.378    160.028  201.684   220.468  -27.2273  232.650  9.4460  4.4593 7.9822  3.9481 1.463761       5.955927 
1 1 1 1  27 8  o 11.122  3.6118 334.028   204.395  -127.0301 285.083  821.728   293.205  7.9228  3.9859 14.321  6.0243 -6.398438      7.223529 
1 1 1 1  28 0  o 10.739  6.2159 289.543   217.128  0.0000    0.0000   289.543   217.128  10.739  6.2159 10.739  6.2159 -0.000000      0.000000 
1 1 1 1  28 1  o 9.1489  2.9637 53.064    118.129  -12.3340  149.590  161.415   192.547  7.9489  3.7276 10.349  4.6085 -2.399944      5.927332 
1 1 1 1  28 2  f 8.9671  4.2463 45.995    202.757  0.0000    0.0000   45.995    202.757  ?       ?      8.9671  4.2463 ?              ?        
1 1 1 1  28 3  o 7.5596  3.7122 -100.1968 193.560  0.0000    0.0000   -100.1968 193.560  ?       ?      7.5596  3.7122 ?              ?        
1 1 1 1  28 4  o 10.944  4.9723 241.214   237.260  0.0000    0.0000   241.214   237.260  ?       ?      10.944  4.9723 ?              ?        
1 1 1 1  28 5  o 10.347  4.8279 264.038   245.789  0.0000    0.0000   264.038   245.789  ?       ?      10.347  4.8279 ?              ?        
1 1 1 1  28 6  o 8.3138  2.8624 58.948    153.926  -113.0347 215.712  237.364   219.710  7.2280  3.6118 9.3996  4.4418 -2.171663      5.724881 
1 1 1 1  29 0  o 10.528  6.4960 353.898   268.142  0.0000    0.0000   353.898   268.142  10.528  6.4960 10.528  6.4960 -0.000000      0.000000 
1 1 1 1  29 1  o 9.8567  3.1480 90.163    140.603  -139.1040 187.361  385.722   212.732  7.2679  3.5851 12.446  5.1756 -5.177668      6.296016 
1 1 1 1  29 2  o 7.5441  3.7270 -86.2952  205.183  0.0000    0.0000   -86.2952  205.183  ?       ?      7.5441  3.7270 ?              ?        
1 1 1 1  29 3  o 9.2945  4.5273 304.752   271.072  0.0000    0.0000   304.752   271.072  ?       ?      9.2945  4.5273 ?              ?        
1 1 1 1  29 4  o 7.3203  3.6192 -78.6891  194.782  0.0000    0.0000   -78.6891  194.782  ?       ?      7.3203  3.6192 ?              ?        
1 1 1 2  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  1  1  o 105.518 29.382 16245.94  6429.75  0.0000    0.0000   16245.94  6429.75  ?       ?      105.518 29.382 ?              ?        
1 1 1 2  1  2  o 126.056 12.883 16639.59  3244.03  17562.53  4590.29  15718.70  4585.23  129.709 17.695 122.402 18.730 7.307114       25.76658 
1 1 1 2  1  3  o 91.398  9.3127 8507.74   1700.78  8094.00   2404.69  8921.88   2405.84  89.134  13.489 93.662  12.843 -4.528191      18.62531 
1 1 1 2  1  4  o 147.049 15.722 23385.08  4621.85  22678.86  6536.46  24091.23  6536.10  144.648 22.594 149.451 21.867 -4.803024      31.44319 
1 1 1 2  1  5  o 85.524  11.087 7649.43   1767.30  7057.52   2164.12  8834.45   3062.10  82.093  13.181 88.955  17.832 -6.862228      22.17493 
1 1 1 2  1  6  o 118.548 17.993 15197.09  4266.01  15197.09  4266.01  0.0000    0.0000   118.548 17.993 ?       ?      ?              ?        
1 1 1 2  1  7  o 83.838  12.544 7438.68   2103.40  7438.68   2103.40  0.0000    0.0000   83.838  12.544 ?       ?      ?              ?        
1 1 1 2  1  8  o 108.908 17.374 13456.89  3784.32  13456.89  3784.32  0.0000    0.0000   108.908 17.374 ?       ?      ?              ?        
1 1 1 2  1  9  o 103.563 21.944 15714.98  4403.97  15714.98  4403.97  0.0000    0.0000   103.563 21.944 ?       ?      ?              ?        
1 1 1 2  1  10 o 11.075  3.2318 127.945   76.023   127.945   76.023   0.0000    0.0000   11.075  3.2318 ?       ?      ?              ?        
1 1 1 2  1  11 o 39.822  7.3667 1884.45   565.101  1884.45   565.101  0.0000    0.0000   39.822  7.3667 ?       ?      ?              ?        
1 1 1 2  1  12 o 24.227  4.9285 655.612   230.678  655.612   230.678  0.0000    0.0000   24.227  4.9285 ?       ?      ?              ?        
1 1 1 2  1  13 f 34.427  7.0592 1524.86   469.744  1524.86   469.744  0.0000    0.0000   34.427  7.0592 ?       ?      ?              ?        
1 1 1 2  1  14 o 23.652  5.2407 670.897   241.383  670.897   241.383  0.0000    0.0000   23.652  5.2407 ?       ?      ?              ?        
1 1 1 2  1  15 o 14.251  4.5400 241.057   145.781  241.057   145.781  0.0000    0.0000   14.251  4.5400 ?       ?      ?              ?        
1 1 1 2  1  16 o 16.496  5.0796 385.693   184.062  385.693   184.062  0.0000    0.0000   16.496  5.0796 ?       ?      ?              ?        
1 1 1 2  1  17 o 10.047  4.1452 112.129   134.926  112.129   134.926  0.0000    0.0000   10.047  4.1452 ?       ?      ?              ?        
1 1 1 2  1  18 o 10.123  4.4910 160.958   181.186  160.958   181.186  0.0000    0.0000   10.123  4.4910 ?       ?      ?              ?        
1 1 1 2  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  2  2  o 146.034 33.877 24586.71  9702.85  24586.71  9702.85  0.0000    0.0000   146.034 33.877 ?       ?      ?              ?        
1 1 1 2  2  3  o 83.881  11.836 7935.74   1814.99  8872.68   2224.38  6069.35   3139.46  93.264  11.925 74.499  20.449 18.76579       23.67248 
1 1 1 2  2  4  o 217.500 37.872 68678.35  15743.31 65391.04  19276.94 75262.41  27281.25 221.862 44.983 213.138 60.939 8.724152       75.74348 
1 1 1 2  2  5  o 23.739  4.1861 590.654   199.349  493.092   281.095  689.373   282.757  21.818  6.1676 25.659  5.6617 -3.841055      8.372242 
1 1 1 2  2  6  o 121.167 21.417 18499.61  5177.84  17910.60  7321.92  19088.83  7323.23  118.899 30.609 123.436 29.965 -4.537109      42.83472 
1 1 1 2  2  7  o 24.596  4.3587 637.836   214.380  582.604   303.906  692.543   302.457  23.556  6.3197 25.636  6.0045 -2.080549      8.717381 
1 1 1 2  2  8  o 115.282 24.525 21910.71  6123.08  22812.06  8659.80  21009.55  8658.88  118.406 34.475 112.158 34.890 6.248024       49.04981 
1 1 1 2  2  9  o 33.528  8.1705 1241.78   542.871  1241.78   542.871  0.0000    0.0000   33.528  8.1705 ?       ?      ?              ?        
1 1 1 2  2  10 o 47.869  14.326 3622.41   1478.38  3622.41   1478.38  0.0000    0.0000   47.869  14.326 ?       ?      ?              ?        
1 1 1 2  2  11 o 29.348  8.0948 1092.73   490.547  1092.73   490.547  0.0000    0.0000   29.348  8.0948 ?       ?      ?              ?        
1 1 1 2  2  12 o 14.036  4.8033 204.742   162.234  204.742   162.234  0.0000    0.0000   14.036  4.8033 ?       ?      ?              ?        
1 1 1 2  2  13 o 22.603  6.7926 661.367   331.866  661.367   331.866  0.0000    0.0000   22.603  6.7926 ?       ?      ?              ?        
1 1 1 2  2  14 o 24.111  7.5571 842.526   405.360  842.526   405.360  0.0000    0.0000   24.111  7.5571 ?       ?      ?              ?        
1 1 1 2  2  15 o 8.7095  3.9309 -36.0442  145.358  -36.0442  145.358  0.0000    0.0000   8.7095  3.9309 ?       ?      ?              ?        
1 1 1 2  2  16 o 20.880  8.0342 987.402   472.834  987.402   472.834  0.0000    0.0000   20.880  8.0342 ?       ?      ?              ?        
1 1 1 2  2  17 o 10.590  4.4211 135.670   156.080  135.670   156.080  0.0000    0.0000   10.590  4.4211 ?       ?      ?              ?        
1 1 1 2  2  18 o 11.443  4.7497 248.482   178.668  248.482   178.668  0.0000    0.0000   11.443  4.7497 ?       ?      ?              ?        
1 1 1 2  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  3  3  o 99.928  16.195 11305.01  3168.71  10736.92  4477.68  11874.91  4484.80  97.170  23.334 102.685 22.462 -5.515228      32.38903 
1 1 1 2  3  4  f 137.164 23.888 23251.90  6513.30  22316.89  9215.98  24184.98  9206.42  133.947 34.264 140.382 33.295 -6.434738      47.77582 
1 1 1 2  3  5  o 142.031 26.384 27266.23  7598.10  26079.23  10744.54 28453.58  10746.14 138.250 37.782 145.812 36.837 -7.561966      52.76786 
1 1 1 2  3  6  o 123.214 21.246 18558.81  5188.55  18410.80  7333.93  18707.12  7341.51  122.655 30.117 123.773 29.976 -1.117424      42.49215 
1 1 1 2  3  7  o 106.475 19.834 15286.29  4282.76  15005.89  6055.49  15566.92  6057.99  105.289 28.194 107.661 27.905 -2.371948      39.66834 
1 1 1 2  3  8  o 58.139  9.6473 3830.65   1102.81  3684.30   1559.53  3977.03   1559.69  56.927  13.833 59.351  13.451 -2.423313      19.29461 
1 1 1 2  3  9  o 47.869  8.3344 2714.25   792.805  2633.44   1121.16  2795.07   1121.23  47.074  11.902 48.664  11.671 -1.590103      16.66887 
1 1 1 2  3  10 o 21.555  4.1619 524.733   184.837  485.101   263.109  563.351   259.723  20.752  5.9998 22.357  5.7696 -1.605366      8.323857 
1 1 1 2  3  11 o 36.186  10.558 1914.48   811.431  1914.48   811.431  0.0000    0.0000   36.186  10.558 ?       ?      ?              ?        
1 1 1 2  3  12 o 15.979  5.1649 284.027   188.152  284.027   188.152  0.0000    0.0000   15.979  5.1649 ?       ?      ?              ?        
1 1 1 2  3  13 o 19.947  6.1372 492.780   268.751  492.780   268.751  0.0000    0.0000   19.947  6.1372 ?       ?      ?              ?        
1 1 1 2  3  14 o 10.058  4.1848 52.667    139.184  52.667    139.184  0.0000    0.0000   10.058  4.1848 ?       ?      ?              ?        
1 1 1 2  3  15 o 22.197  7.2617 762.522   371.381  762.522   371.381  0.0000    0.0000   22.197  7.2617 ?       ?      ?              ?        
1 1 1 2  3  16 o 17.202  6.3519 475.358   288.796  475.358   288.796  0.0000    0.0000   17.202  6.3519 ?       ?      ?              ?        
1 1 1 2  3  17 o 9.2120  4.2739 3.3008    188.292  3.3008    188.292  0.0000    0.0000   9.2120  4.2739 ?       ?      ?              ?        
1 1 1 2  3  18 o 10.136  4.7238 153.246   234.137  153.246   234.137  0.0000    0.0000   10.136  4.7238 ?       ?      ?              ?        
1 1 1 2  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 2  4  4  o 123.691 23.055 20756.99  5787.25  20019.08  8179.02  21496.84  8189.81  121.013 32.920 126.368 32.286 -5.355087      46.10976 
1 1 1 2  4  5  o 104.621 17.612 12978.59  3633.09  13430.25  5142.51  12528.53  5133.42  106.672 24.606 102.571 25.204 4.100739       35.22357 
1 1 1 2  4  6  f 47.635  7.5828 2412.08   705.221  2532.29   998.066  2292.22   996.601  48.866  10.523 46.404  10.920 2.462002       15.16553 
1 1 1 2  4  7  o 96.785  17.163 11814.83  3316.40  11742.21  4686.22  11887.69  4693.97  96.449  24.304 97.120  24.242 -0.6709137     34.32689 
1 1 1 2  4  8  o 37.489  6.2985 1541.40   465.267  1535.59   656.161  1547.27   659.830  37.420  8.8977 37.558  8.9172 -0.1381798     12.59701 
1 1 1 2  4  9  o 53.204  9.5499 3544.78   1020.31  3255.11   1441.32  3835.76   1444.55  50.694  13.831 55.714  13.172 -5.019772      19.09973 
1 1 1 2  4  10 o 18.415  3.7178 374.686   143.775  385.457   202.800  363.801   203.862  18.664  5.2257 18.166  5.2897 0.4979115      7.435619 
1 1 1 2  4  11 o 14.646  3.3731 224.602   114.043  257.216   160.801  191.596   161.766  15.440  4.7467 13.851  4.7936 1.589047       6.746101 
1 1 1 2  4  12 o 21.654  6.3065 563.109   289.749  563.109   289.749  0.0000    0.0000   21.654  6.3065 ?       ?      ?              ?        
1 1 1 2  4  13 o 8.0647  3.5512 -16.6149  111.229  -16.6149  111.229  0.0000    0.0000   8.0647  3.5512 ?       ?      ?              ?        
1 1 1 2  4  14 o 16.304  5.5199 316.980   214.227  316.980   214.227  0.0000    0.0000   16.304  5.5199 ?       ?      ?              ?        
1 1 1 2  4  15 o 13.173  5.0504 185.448   186.419  185.448   186.419  0.0000    0.0000   13.173  5.0504 ?       ?      ?              ?        
1 1 1 2  4  16 o 15.016  5.7478 325.980   241.208  325.980   241.208  0.0000    0.0000   15.016  5.7478 ?       ?      ?              ?        
1 1 1 2  4  17 o 13.346  5.6333 328.749   257.812  328.749   257.812  0.0000    0.0000   13.346  5.6333 ?       ?      ?              ?        
1 1 1 2  4  18 o 7.4257  3.6748 -168.2832 202.530  -168.2832 202.530  0.0000    0.0000   7.4257  3.6748 ?       ?      ?              ?        
1 1 1 2  5  0  f 100.456 28.914 12688.25  5038.07  0.0000    0.0000   12688.25  5038.07  100.456 28.914 100.456 28.914 -0.000000      0.000000 
1 1 1 2  5  1  o 125.757 20.906 18476.18  5169.59  18174.53  7311.06  18777.81  7310.76  124.602 29.749 126.912 29.382 -2.309959      41.81276 
1 1 1 2  5  2  o 142.350 36.048 26009.50  10273.66 26009.50  10273.66 0.0000    0.0000   142.350 36.048 ?       ?      ?              ?        
1 1 1 2  5  3  o 209.384 76.291 105372.50 41455.13 105372.50 41455.13 0.0000    0.0000   209.384 76.291 ?       ?      ?              ?        
1 1 1 2  5  4  o 43.692  9.9315 2032.86   848.176  0.0000    0.0000   2032.86   848.176  ?       ?      43.692  9.9315 ?              ?        
1 1 1 2  5  5  o 91.383  15.142 9652.91   2719.09  9670.87   3841.17  9634.88   3849.60  91.489  21.378 91.277  21.450 0.2126312      30.28401 
1 1 1 2  5  6  o 64.050  10.330 4510.95   1294.41  4305.70   1833.30  4714.99   1827.85  62.489  14.882 65.611  14.331 -3.121174      20.66016 
1 1 1 2  5  7  o 71.649  11.997 5940.74   1697.82  5256.52   2403.16  6622.59   2398.99  67.087  17.667 76.211  16.236 -9.124458      23.99422 
1 1 1 2  5  8  o 79.088  16.268 9683.35   2729.96  9993.58   3858.28  9372.33   3863.22  80.737  22.860 77.438  23.154 3.298866       32.53698 
1 1 1 2  5  9  o 70.547  15.566 8636.13   2435.22  8629.53   3440.48  8642.76   3447.37  70.543  22.001 70.551  22.026 -0.8216858E-02 31.13176 
1 1 1 2  5  10 o 31.476  5.8136 1194.54   369.969  1202.70   521.706  1186.27   524.737  31.606  8.1875 31.345  8.2557 0.2604103      11.62718 
1 1 1 2  5  11 o 15.213  3.3818 242.677   117.098  173.873   163.139  315.797   168.179  13.474  4.8018 16.951  4.7632 -3.477079      6.763515 
1 1 1 2  5  12 o 24.209  4.8300 714.308   244.911  645.342   345.948  783.601   346.767  22.994  6.9408 25.424  6.7186 -2.429090      9.659919 
1 1 1 2  5  13 o 17.436  3.8443 361.693   155.746  493.382   218.785  226.396   221.761  20.203  5.3355 14.670  5.5360 5.533381       7.688607 
1 1 1 2  5  14 o 11.541  4.5027 110.839   150.110  110.839   150.110  0.0000    0.0000   11.541  4.5027 ?       ?      ?              ?        
1 1 1 2  5  15 o 9.5067  4.1331 16.675    146.505  16.675    146.505  0.0000    0.0000   9.5067  4.1331 ?       ?      ?              ?        
1 1 1 2  5  16 f 18.301  7.2800 795.000   399.200  795.000   399.200  0.0000    0.0000   18.301  7.2800 ?       ?      ?              ?        
1 1 1 2  5  17 o 12.318  5.2988 255.739   235.715  255.739   235.715  0.0000    0.0000   12.318  5.2988 ?       ?      ?              ?        
1 1 1 2  5  18 o 10.549  4.5205 231.114   170.399  231.114   170.399  0.0000    0.0000   10.549  4.5205 ?       ?      ?              ?        
1 1 1 2  6  0  o 110.435 23.125 15873.13  4442.92  16036.17  6282.93  15710.06  6283.54  111.297 32.504 109.574 32.902 -0.000000      0.000000 
1 1 1 2  6  1  o 150.338 21.643 26515.43  6039.22  26487.38  7395.23  26571.57  10463.86 155.454 23.786 145.222 36.165 10.23189       43.28555 
1 1 1 2  6  2  o 76.380  12.047 6318.56   1793.68  6472.83   2536.59  6164.27   2536.72  77.370  16.868 75.389  17.204 1.981239       24.09377 
1 1 1 2  6  3  o 128.486 25.021 23753.04  6636.20  24185.52  9385.26  23320.62  9384.74  129.956 35.227 127.016 35.543 2.940338       50.04267 
1 1 1 2  6  4  o 108.165 25.872 13915.33  5521.67  13915.33  5521.67  0.0000    0.0000   108.165 25.872 ?       ?      ?              ?        
1 1 1 2  6  5  o 105.551 16.385 13077.06  3792.59  4218.16   5362.95  21939.81  5364.12  68.379  26.846 142.722 18.792 -74.34336      32.77002 
1 1 1 2  6  6  o 104.647 16.187 13992.25  3194.68  15370.44  3912.25  11234.08  5534.53  118.016 16.575 91.279  27.809 26.73784       32.37368 
1 1 1 2  6  7  f 47.636  6.3715 2323.22   560.865  2101.92   687.856  2762.22   968.805  44.591  8.0072 50.680  9.9132 -6.088737      12.74308 
1 1 1 2  6  8  o 45.957  6.1789 2169.86   526.899  1818.71   646.331  2865.61   909.767  40.855  8.1952 51.059  9.2496 -10.20422      12.35782 
1 1 1 2  6  9  o 43.389  6.6369 2250.53   540.513  2429.78   662.531  1893.79   934.672  47.597  6.9598 39.180  11.303 8.416981       13.27371 
1 1 1 2  6  10 o 15.644  3.3140 258.267   113.224  311.675   160.220  204.988   160.025  16.998  4.6007 14.290  4.7711 2.707042       6.627932 
1 1 1 2  6  11 o 28.924  5.5916 1047.61   336.564  1220.98   474.989  872.794   476.964  31.546  7.6151 26.302  8.1898 5.244593       11.18319 
1 1 1 2  6  12 o 32.676  5.5711 1376.82   345.486  1335.22   422.867  1460.35   599.154  33.159  6.6084 32.193  8.9710 0.9660606      11.14224 
1 1 1 2  6  13 o 22.684  4.0505 701.228   197.094  857.481   241.818  392.020   340.174  27.629  4.3762 17.739  6.8173 9.889917       8.101021 
1 1 1 2  6  14 o 13.350  3.1589 202.145   101.374  245.105   122.578  109.170   180.325  14.686  4.0446 12.013  4.8534 2.672647       6.317789 
1 1 1 2  6  15 o 14.488  4.5256 254.693   145.512  254.693   145.512  0.0000    0.0000   14.488  4.5256 ?       ?      ?              ?        
1 1 1 2  6  16 o 15.967  5.3784 435.945   203.377  435.945   203.377  0.0000    0.0000   15.967  5.3784 ?       ?      ?              ?        
1 1 1 2  6  17 o 8.5680  3.8163 45.626    132.130  45.626    132.130  0.0000    0.0000   8.5680  3.8163 ?       ?      ?              ?        
1 1 1 2  6  18 o 8.9353  4.1554 166.790   179.651  166.790   179.651  0.0000    0.0000   8.9353  4.1554 ?       ?      ?              ?        
1 1 1 2  7  0  o 167.089 38.504 41107.18  11407.65 42874.20  16141.63 39344.00  16124.10 172.984 53.327 161.193 55.557 -0.000000      0.000000 
1 1 1 2  7  1  o 159.702 23.589 30922.93  7030.04  30375.62  8607.24  32019.66  12184.21 164.047 26.234 155.357 39.211 8.689804       47.17770 
1 1 1 2  7  2  o 151.885 39.682 57273.89  15950.22 57948.71  22555.43 56598.89  22558.62 153.122 56.201 150.649 56.038 2.473221       79.36448 
1 1 1 2  7  3  o 160.697 32.937 40184.57  11202.79 41143.32  15843.85 39225.98  15842.43 163.184 46.366 158.210 46.792 4.974136       65.87332 
1 1 1 2  7  4  o 42.748  6.9081 1944.84   577.931  1848.00   817.083  2041.79   817.554  41.647  9.9465 43.850  9.5893 -2.203159      13.81618 
1 1 1 2  7  5  o 144.005 24.379 28814.64  7973.44  44553.67  11289.55 13150.13  11262.79 190.436 29.641 97.574  38.715 92.86257       48.75886 
1 1 1 2  7  6  o 111.375 19.884 16981.97  4719.92  23616.26  6681.98  10375.45  6667.98  137.089 25.303 85.661  30.680 51.42760       39.76841 
1 1 1 2  7  7  o 70.991  11.006 6826.05   1563.62  8790.84   1915.66  2904.22   2706.48  90.890  10.538 51.092  19.326 39.79814       22.01225 
1 1 1 2  7  8  o 26.472  3.9496 715.260   194.699  636.692   239.249  869.318   335.020  24.491  5.0521 28.452  6.0723 -3.961111      7.899188 
1 1 1 2  7  9  o 22.561  3.7489 604.480   169.288  741.348   208.815  342.026   289.158  26.790  3.8973 18.332  6.4053 8.457304       7.497789 
1 1 1 2  7  10 o 28.648  4.6225 967.802   254.443  1065.04   313.049  778.516   436.769  31.670  4.9423 25.627  7.8131 6.043312       9.245077 
1 1 1 2  7  11 o 23.774  4.1028 653.582   187.203  680.988   230.293  600.195   321.425  24.888  4.8006 22.659  6.6547 2.228554       8.205532 
1 1 1 2  7  12 f 25.349  4.2387 911.225   243.845  1244.51   299.895  260.998   418.888  33.561  4.4679 17.138  7.2044 16.42360       8.477305 
1 1 1 2  7  13 o 10.745  2.8929 102.627   85.266   124.111   105.208  61.506    145.552  11.046  3.8634 10.444  4.3068 0.6016026      5.785742 
1 1 1 2  7  14 o 21.335  4.1252 596.091   181.932  661.568   224.667  471.366   310.080  23.676  4.9059 18.995  6.6332 4.680964       8.250308 
1 1 1 2  7  15 o 13.743  3.4605 217.376   116.473  219.367   143.163  213.479   200.308  13.675  4.5103 13.812  5.2495 -0.1371899     6.921022 
1 1 1 2  7  16 o 10.995  3.2413 145.343   122.911  201.551   155.583  52.017    200.475  11.968  4.6076 10.022  4.5600 1.946504       6.482590 
1 1 1 2  7  17 o 10.984  4.6685 200.042   179.051  200.042   179.051  0.0000    0.0000   10.984  4.6685 ?       ?      ?              ?        
1 1 1 2  7  18 o 7.3157  3.5479 2.6476    161.623  2.6476    161.623  0.0000    0.0000   7.3157  3.5479 ?       ?      ?              ?        
1 1 1 2  8  0  o 43.250  9.1087 2338.71   685.823  2340.87   970.230  2336.55   969.570  43.276  12.880 43.224  12.884 -0.000000      0.000000 
1 1 1 2  8  1  o 156.576 33.719 41311.84  11509.98 41568.50  16273.27 41054.91  16281.87 157.243 47.635 155.910 47.736 1.333466       67.43784 
1 1 1 2  8  2  o 73.282  11.697 5896.58   1673.68  5827.34   2364.14  5966.15   2369.75  72.824  16.601 73.739  16.483 -0.9150467     23.39375 
1 1 1 2  8  3  o 115.137 20.233 16562.40  4639.76  16823.51  6560.78  16301.16  6562.44  116.202 28.457 114.071 28.769 2.131401       40.46548 
1 1 1 2  8  4  f 79.906  12.773 7036.53   1993.27  7155.49   2819.26  6917.62   2818.55  80.633  17.944 79.179  18.182 1.453285       25.54585 
1 1 1 2  8  5  o 78.182  13.111 7131.83   2019.87  7441.41   2856.55  6822.27   2856.49  80.079  18.243 76.285  18.835 3.794296       26.22171 
1 1 1 2  8  6  o 80.111  13.780 7752.15   2208.13  6320.26   3124.74  9180.44   3120.80  71.743  20.658 88.479  18.242 -16.73625      27.55914 
1 1 1 2  8  7  o 54.786  9.3518 3612.77   1044.61  4800.81   1478.13  2427.38   1476.49  64.720  11.856 44.851  14.465 19.86894       18.70350 
1 1 1 2  8  8  o 48.250  7.5758 2997.81   706.266  3595.33   864.752  1800.76   1223.98  58.032  7.4506 38.468  13.193 19.56449       15.15155 
1 1 1 2  8  9  o 37.669  5.6931 1603.83   400.482  1344.67   491.655  2114.85   690.388  33.729  7.4839 41.609  8.5812 -7.879627      11.38620 
1 1 1 2  8  10 o 36.635  6.1517 1927.92   468.315  2345.93   574.685  1101.56   808.007  45.427  6.3254 27.844  10.553 17.58328       12.30332 
1 1 1 2  8  11 o 25.054  4.2980 810.349   223.722  1001.25   275.828  443.281   382.484  30.413  4.5348 19.696  7.3026 10.71666       8.596066 
1 1 1 2  8  12 o 17.991  3.5689 392.323   133.603  437.234   165.223  307.481   227.092  19.632  4.3248 16.350  5.6785 3.281569       7.137867 
1 1 1 2  8  13 o 24.916  4.4984 773.674   217.044  746.500   267.222  826.353   372.067  24.948  5.5033 24.884  7.1173 0.6355286E-01  8.996790 
1 1 1 2  8  14 o 16.769  3.6194 316.615   129.559  245.250   161.975  443.373   215.871  14.582  4.7969 18.956  5.4211 -4.374206      7.238716 
1 1 1 2  8  15 o 13.031  3.4407 190.499   117.372  159.836   148.259  241.985   192.113  12.059  4.5316 14.003  5.1788 -1.944517      6.881483 
1 1 1 2  8  16 o 9.9400  3.0647 65.516    114.706  95.897    145.886  16.318    185.646  10.188  4.2654 9.6924  4.4017 0.4951620      6.129346 
1 1 1 2  8  17 o 9.0211  2.9811 79.028    132.787  91.404    171.752  60.639    209.361  9.0495  4.1564 8.9927  4.2747 0.5677605E-01  5.962246 
1 1 1 2  8  18 o 7.3015  3.5341 -27.4404  158.410  -27.4404  158.410  0.0000    0.0000   7.3015  3.5341 ?       ?      ?              ?        
1 1 1 2  9  0  o 47.832  14.046 2848.10   1167.48  2848.10   1167.48  0.0000    0.0000   47.832  14.046 47.832  14.046 -0.000000      0.000000 
1 1 1 2  9  1  o 155.605 25.253 32426.35  7380.28  32137.10  9040.39  33004.31  12778.98 162.094 28.948 149.116 41.387 12.97762       50.50626 
1 1 1 2  9  2  f 74.715  12.042 6204.69   1759.44  6201.64   2484.79  6207.76   2491.67  74.703  17.012 74.727  17.049 -0.2433777E-01 24.08454 
1 1 1 2  9  3  o 182.492 41.059 60552.31  16866.04 61143.11  23849.29 59961.23  23855.08 183.705 58.021 181.279 58.111 2.426010       82.11755 
1 1 1 2  9  4  o 136.550 30.079 32610.48  9097.56  32772.63  12864.53 32448.27  12867.26 137.013 42.512 136.087 42.565 0.9262238      60.15825 
1 1 1 2  9  5  o 68.196  11.240 5277.29   1504.78  5197.29   2127.97  5357.30   2128.18  67.629  15.985 68.762  15.806 -1.133247      22.48007 
1 1 1 2  9  6  o 82.501  14.924 8776.81   2477.50  9425.11   3504.30  8128.95   3503.11  86.111  20.620 78.891  21.579 7.220520       29.84712 
1 1 1 2  9  7  o 52.274  8.5407 3228.16   955.388  1564.31   1352.29  4886.27   1349.96  37.730  13.774 66.817  10.102 -29.08653      17.08149 
1 1 1 2  9  8  o 51.485  9.8550 3602.92   1044.17  3955.19   1477.44  3251.36   1475.93  54.495  13.599 48.476  14.267 6.018585       19.70994 
1 1 1 2  9  9  f 29.870  4.7127 1039.67   267.477  1137.57   328.301  846.367   461.295  32.853  4.9966 26.888  7.9921 5.964762       9.425468 
1 1 1 2  9  10 o 33.126  5.3014 1536.22   371.591  2030.15   456.791  569.909   638.920  43.234  5.2827 23.018  9.1930 20.21641       10.60279 
1 1 1 2  9  11 o 20.718  3.7031 520.953   159.854  630.479   196.525  306.802   274.802  24.370  4.0321 17.065  6.2124 7.304447       7.406254 
1 1 1 2  9  12 o 20.476  3.8593 503.981   156.670  505.246   194.295  501.628   264.897  20.874  4.7596 20.078  6.0765 0.7961807      7.718679 
1 1 1 2  9  13 o 24.416  4.6531 844.321   238.917  964.939   294.373  611.515   408.967  28.203  5.4157 20.629  7.5682 7.574459       9.306288 
1 1 1 2  9  14 o 19.962  3.9559 568.675   176.586  690.432   216.419  326.140   305.447  23.908  4.6936 16.017  6.3691 7.890852       7.911752 
1 1 1 2  9  15 o 14.423  3.1878 197.222   113.355  29.508    139.093  528.889   195.601  9.1406  3.9993 19.706  4.9652 -10.56523      6.375547 
1 1 1 2  9  16 o 12.483  2.9971 181.269   126.623  412.192   158.364  -228.0289 210.835  17.031  4.5590 7.9347  3.8919 9.096040       5.994269 
1 1 1 2  9  17 o 9.8745  3.1908 160.194   150.227  249.840   186.900  -3.4462   252.515  10.967  4.7180 8.7816  4.2972 2.185905       6.381663 
1 1 1 2  10 0  o 89.273  26.197 10199.53  4063.55  10199.53  4063.55  0.0000    0.0000   89.273  26.197 89.273  26.197 0.000000       0.000000 
1 1 1 2  10 1  o 143.850 20.898 24555.58  5589.11  24549.38  6846.71  24567.96  9676.46  149.127 22.956 138.573 34.926 10.55428       41.79510 
1 1 1 2  10 2  o 121.595 21.391 18513.23  5182.50  18887.92  7325.87  18137.87  7332.45  123.050 30.032 120.140 30.471 2.909134       42.78284 
1 1 1 2  10 3  o 94.762  16.453 11028.92  3095.50  10832.23  4373.93  11226.28  4381.47  93.795  23.395 95.729  23.141 -1.933388      32.90600 
1 1 1 2  10 4  o 30.256  5.1195 970.073   305.767  925.788   431.319  1014.81   433.528  29.555  7.3321 30.958  7.1467 -1.402592      10.23896 
1 1 1 2  10 5  o 91.031  16.339 10590.04  2979.77  10473.98  4213.69  10706.14  4214.36  90.442  23.186 91.621  23.026 -1.178368      32.67715 
1 1 1 2  10 6  o 73.772  14.204 7609.00   2152.13  7545.32   3043.08  7672.72   3044.07  73.395  20.128 74.150  20.047 -0.7555542     28.40745 
1 1 1 2  10 7  o 83.047  13.579 9399.63   2126.69  13039.82  3687.65  7585.62   2603.20  92.958  20.395 73.136  17.934 19.82167       27.15895 
1 1 1 2  10 8  o 19.942  3.9276 444.533   164.560  358.414   235.223  527.086   230.301  18.134  5.7659 21.750  5.3347 -3.615868      7.855243 
1 1 1 2  10 9  o 18.940  3.8414 397.569   154.913  480.015   221.589  318.755   216.654  20.709  5.3213 17.170  5.5415 3.539576       7.682766 
1 1 1 2  10 10 o 13.386  3.0380 183.589   88.978   176.370   109.797  197.398   151.866  12.905  3.9136 13.867  4.6478 -0.9617882     6.076015 
1 1 1 2  10 11 o 21.076  3.7103 557.874   165.019  694.243   205.385  309.502   277.180  25.361  4.0493 16.792  6.2185 8.568192       7.420655 
1 1 1 2  10 12 o 14.563  3.2478 249.285   106.854  284.593   134.831  189.663   175.210  15.709  4.2073 13.417  4.9489 2.291288       6.495636 
1 1 1 2  10 13 o 28.202  5.0205 1019.15   271.694  931.476   333.509  1192.15   468.479  27.250  6.2521 29.154  7.8569 -1.903511      10.04092 
1 1 1 2  10 14 o 19.910  4.0575 563.290   182.936  685.552   226.974  336.627   309.043  23.607  4.9647 16.213  6.4192 7.394808       8.115088 
1 1 1 2  10 15 o 14.364  3.5415 301.697   138.807  400.048   173.736  128.110   230.812  16.975  4.8661 11.753  5.1469 5.221641       7.083064 
1 1 1 2  10 16 o 15.781  4.1617 505.261   186.974  569.779   235.394  394.973   307.766  17.787  5.7795 13.776  5.9897 4.011701       8.323384 
1 1 1 2  10 17 o 9.2971  3.0794 79.699    142.724  101.013   178.773  42.239    237.007  9.3719  4.2805 9.2223  4.4282 0.1495247      6.158841 
1 1 1 2  11 0  o 53.351  11.175 3593.31   1037.43  3518.69   1470.10  3667.34   1464.20  52.514  16.024 54.188  15.580 0.000000       0.000000 
1 1 1 2  11 1  o 30.123  5.0995 961.331   303.538  887.610   430.722  1034.06   427.827  28.962  7.4066 31.283  7.0115 -2.320448      10.19903 
1 1 1 2  11 2  o 88.493  15.310 9540.17   2687.31  9377.97   3802.31  9702.04   3798.55  87.621  21.789 89.365  21.512 -1.744064      30.61907 
1 1 1 2  11 3  o 48.539  7.8401 2557.12   744.548  2468.23   1049.60  2647.17   1056.34  47.650  11.202 49.429  10.972 -1.778969      15.68025 
1 1 1 2  11 4  o 90.016  16.073 10282.08  2894.14  10364.99  4089.33  10198.88  4096.53  90.460  22.653 89.571  22.807 0.8887558      32.14520 
1 1 1 2  11 5  o 76.882  15.319 8719.64   2457.76  8437.39   3474.58  9002.29   3477.01  75.317  21.811 78.446  21.516 -3.129532      30.63745 
1 1 1 2  11 6  o 22.609  4.1611 548.627   191.091  629.476   270.850  468.499   269.640  24.221  5.6881 20.997  6.0748 3.224796       8.322156 
1 1 1 2  11 7  o 47.712  9.0170 3013.78   877.443  2916.02   1240.39  3111.70   1241.40  46.798  12.857 48.625  12.646 -1.826462      18.03399 
1 1 1 2  11 8  o 20.666  3.6404 473.275   143.639  443.098   253.580  487.532   174.299  20.024  5.9194 21.308  4.2391 -1.284277      7.280706 
1 1 1 2  11 9  o 27.186  4.6155 847.441   278.203  1353.09   396.347  356.370   390.591  35.221  5.6265 19.152  7.3181 16.06968       9.231089 
1 1 1 2  11 10 o 18.833  3.6697 399.258   162.017  656.727   226.564  129.799   231.779  24.108  4.8667 13.559  5.4938 10.54869       7.339383 
1 1 1 2  11 11 o 28.155  4.6888 1176.23   299.193  1576.28   367.581  390.904   515.020  37.342  4.9219 18.969  7.9821 18.37232       9.377563 
1 1 1 2  11 12 o 24.564  4.2902 800.096   216.983  942.914   265.915  515.526   375.359  29.117  4.5663 20.012  7.2644 9.105022       8.580359 
1 1 1 2  11 13 o 23.807  4.4283 688.911   205.044  587.371   251.335  890.985   354.559  21.722  5.7101 25.893  6.7702 -4.171545      8.856635 
1 1 1 2  11 14 o 26.536  5.0346 967.559   263.482  777.055   324.510  1336.12   451.367  23.374  6.6336 29.697  7.5753 -6.323078      10.06925 
1 1 1 2  11 15 o 13.087  3.5731 282.906   137.354  325.597   172.092  207.981   227.984  14.298  4.9445 11.876  5.1595 2.422237       7.146198 
1 1 1 2  11 16 o 13.424  3.9277 371.737   165.662  325.731   201.302  468.276   291.603  13.099  5.1825 13.749  5.9033 -0.6508160     7.855456 
1 1 1 2  11 17 o 10.884  3.5669 363.334   171.588  195.461   209.380  706.638   299.422  9.2974  4.3759 12.471  5.6340 -3.173998      7.133748 
1 1 1 2  12 0  o 89.603  27.772 10950.19  4358.22  0.0000    0.0000   10950.19  4358.22  89.603  27.772 89.603  27.772 -0.000000      0.000000 
1 1 1 2  12 1  o 83.963  14.386 8478.22   2390.45  8609.67   3380.49  8346.76   3380.71  84.707  20.232 83.219  20.457 1.488060       28.77153 
1 1 1 2  12 2  o 67.607  11.242 5240.48   1494.45  5151.67   2116.40  5328.81   2110.57  66.967  16.017 68.247  15.778 -1.280388      22.48351 
1 1 1 2  12 3  o 60.023  9.9070 4066.05   1167.90  4201.56   1649.64  3929.87   1653.68  61.121  13.819 58.925  14.199 2.196342       19.81391 
1 1 1 2  12 4  o 57.358  10.064 4005.04   1148.96  4003.01   1621.65  4007.09   1628.13  57.359  14.209 57.357  14.255 0.1674652E-02  20.12746 
1 1 1 2  12 5  o 83.810  19.820 13915.33  3910.26  14413.77  5526.57  13415.67  5533.33  85.883  28.009 81.738  28.050 4.145271       39.63970 
1 1 1 2  12 6  o 60.435  11.864 5226.34   1487.35  4939.84   2101.95  5513.65   2104.93  58.390  16.981 62.480  16.573 -4.090664      23.72757 
1 1 1 2  12 7  o 17.297  3.6664 326.642   136.739  317.363   188.667  336.910   198.462  17.059  5.1204 17.536  5.2490 -0.4775009     7.332825 
1 1 1 2  12 8  o 39.432  6.6231 2110.95   514.701  1645.01   893.378  2342.45   629.712  33.599  11.273 45.265  6.9558 -11.66641      13.24612 
1 1 1 2  12 9  o 25.941  3.9029 693.562   190.759  1061.14   328.549  506.634   234.295  30.756  5.5452 21.126  5.4937 9.629971       7.805762 
1 1 1 2  12 10 o 32.731  6.0124 1475.17   457.667  2341.58   647.303  609.108   647.174  43.037  7.8079 22.426  9.1450 20.61053       12.02478 
1 1 1 2  12 11 o 20.183  4.1440 492.755   195.583  773.664   279.888  224.685   273.417  25.199  5.6884 15.168  6.0276 10.03138       8.287952 
1 1 1 2  12 12 o 16.283  3.5073 287.088   121.094  209.181   148.824  439.719   208.308  13.640  4.6009 18.927  5.2951 -5.287457      7.014673 
1 1 1 2  12 13 o 13.016  3.3413 177.334   106.183  148.747   128.453  239.019   188.691  11.794  4.2544 14.239  5.1533 -2.445944      6.682579 
1 1 1 2  12 14 o 14.902  3.7409 296.404   132.814  262.426   160.516  370.160   236.495  14.078  4.7780 15.727  5.7574 -1.649647      7.481812 
1 1 1 2  12 15 o 15.378  3.9948 373.411   156.130  347.855   191.055  424.789   270.889  15.190  5.2123 15.565  6.0554 -0.3757076     7.989698 
1 1 1 2  12 16 o 7.7272  2.6565 -77.7941  126.748  -62.2651  158.270  -105.5617 211.639  7.4823  3.5993 7.9721  3.9080 -0.4897976     5.312999 
1 1 1 2  12 17 o 10.177  3.2981 308.117   173.467  462.584   215.454  23.479    292.472  12.052  5.1217 8.3016  4.1567 3.750652       6.596230 
1 1 1 2  13 0  o 35.547  11.039 1609.55   687.472  1609.55   687.472  0.0000    0.0000   35.547  11.039 35.547  11.039 0.000000       0.000000 
1 1 1 2  13 1  o 102.729 20.987 16274.30  4554.12  16164.10  6437.45  16384.71  6443.56  102.298 29.707 103.160 29.653 -0.8621597     41.97370 
1 1 1 2  13 2  o 86.456  17.765 11713.96  3269.96  12716.13  4628.65  10715.45  4620.19  91.215  24.744 81.698  25.498 9.517265       35.53065 
1 1 1 2  13 3  o 35.022  5.9546 1348.77   411.966  1357.28   582.278  1340.23   582.939  35.139  8.3994 34.905  8.4426 0.2343025      11.90914 
1 1 1 2  13 4  o 31.061  5.3821 1058.63   331.809  1091.29   466.811  1025.27   471.726  31.570  7.5037 30.552  7.7176 1.017710       10.76412 
1 1 1 2  13 5  o 30.933  5.4221 1066.18   333.757  1063.41   469.448  1069.01   474.601  30.901  7.6394 30.966  7.6967 -0.6550980E-01 10.84430 
1 1 1 2  13 6  o 48.930  15.930 12801.47  3599.75  13229.04  5087.24  12372.70  5094.41  49.823  22.786 48.037  22.267 1.785561       31.85958 
1 1 1 2  13 7  o 49.361  9.9872 3586.29   1035.93  3567.24   1463.16  3605.45   1466.91  49.217  14.125 49.505  14.123 -0.2876854     19.97437 
1 1 1 2  13 8  o 47.046  11.104 4275.60   1227.77  4091.95   1735.24  4459.70   1737.41  45.715  15.707 48.376  15.701 -2.660191      22.20857 
1 1 1 2  13 9  o 8.8210  2.3854 37.711    61.740   115.504   95.705   -17.7406  80.802   10.776  3.6893 6.8657  3.0248 3.910597       4.770774 
1 1 1 2  13 10 o 27.715  4.8525 977.161   257.292  1043.22   445.148  944.022   315.292  27.496  7.7576 27.935  5.8316 -0.4398861     9.705027 
1 1 1 2  13 11 o 7.0357  2.2188 -82.4173  72.843   39.519    95.630   -250.9530 112.428  8.6028  3.5126 5.4687  2.7119 3.134174       4.437640 
1 1 1 2  13 12 o 20.358  4.5522 540.562   210.536  447.526   302.803  627.628   292.928  18.692  6.5534 22.024  6.3200 -3.332485      9.104354 
1 1 1 2  13 13 o 14.373  3.1548 259.932   116.719  371.990   141.822  24.724    205.471  17.809  4.0706 10.938  4.8210 6.871128       6.309668 
1 1 1 2  13 14 o 10.455  3.1397 71.124    111.711  30.320    142.168  136.980   180.610  9.2827  4.0529 11.627  4.7965 -2.344704      6.279493 
1 1 1 2  13 15 o 10.107  3.1584 94.037    122.289  106.756   149.039  67.830    213.935  10.028  4.2606 10.186  4.6637 -0.1578150     6.316861 
1 1 1 2  13 16 o 7.6821  2.6536 -95.7331  131.245  -88.1483  166.711  -108.0967 212.846  7.4087  3.5953 7.9556  3.9038 -0.5469327     5.307179 
1 1 1 2  14 0  o 18.975  6.9693 487.271   244.444  0.0000    0.0000   487.271   244.444  18.975  6.9693 18.975  6.9693 -0.000000      0.000000 
1 1 1 2  14 1  o 34.957  5.1858 1348.38   336.672  1442.00   411.598  1159.11   585.239  37.491  5.4892 32.423  8.7999 5.068287       10.37163 
1 1 1 2  14 2  o 48.674  8.3692 2773.17   806.852  2768.39   1142.93  2777.92   1139.20  48.619  11.860 48.730  11.812 -0.1113853     16.73838 
1 1 1 2  14 3  o 62.847  12.015 5433.28   1546.39  5479.98   2189.11  5386.77   2184.74  63.159  16.968 62.534  17.015 0.6249962      24.02993 
1 1 1 2  14 4  o 20.791  3.9461 466.081   167.576  478.391   235.808  453.522   238.186  21.058  5.5287 20.524  5.6322 0.5336781      7.892243 
1 1 1 2  14 5  o 39.651  7.6853 2126.61   627.589  2124.50   884.081  2128.76   891.051  39.664  10.837 39.638  10.900 0.2620697E-01  15.37061 
1 1 1 2  14 6  o 20.175  4.0613 448.201   171.910  472.754   243.004  423.603   243.231  20.692  5.6932 19.658  5.7934 1.033499       8.122556 
1 1 1 2  14 7  o 17.685  3.8345 347.458   148.633  331.670   212.283  362.641   208.174  17.346  5.4735 18.024  5.3715 -0.6775265     7.668956 
1 1 1 2  14 8  o 19.709  4.0793 438.743   171.463  484.693   245.978  395.313   239.137  20.638  5.7469 18.779  5.7911 1.859062       8.158688 
1 1 1 2  14 9  o 37.221  8.6571 2563.02   751.477  2312.07   1061.17  2815.47   1064.34  34.877  12.266 39.564  12.220 -4.687111      17.31419 
1 1 1 2  14 10 o 24.547  4.3843 824.871   227.742  491.292   399.385  985.603   277.233  19.503  7.4126 29.591  4.6844 -10.08820      8.768661 
1 1 1 2  14 11 o 20.193  4.2779 522.805   202.896  274.712   288.175  766.686   285.718  15.765  6.2125 24.621  5.8827 -8.855794      8.555779 
1 1 1 2  14 12 o 21.333  3.5630 514.975   204.305  1086.98   285.836  -82.4899  292.129  30.874  4.6290 11.792  5.4176 19.08263       7.125906 
1 1 1 2  14 13 f 13.818  3.7544 210.625   146.807  172.057   218.654  242.283   198.097  13.278  5.3513 14.358  5.2674 -1.080878      7.508764 
1 1 1 2  14 14 o 9.7770  2.9374 80.643    109.171  165.529   135.497  -76.4235  184.312  11.124  4.2951 8.4295  4.0081 2.694965       5.874782 
1 1 1 2  14 15 o 12.641  3.4526 274.181   150.064  435.134   188.479  -4.5197   248.017  15.728  5.1746 9.5545  4.5723 6.173787       6.905193 
1 1 1 2  14 16 o 9.2495  3.0713 114.180   136.109  70.755    165.762  204.049   238.463  8.5662  3.9863 9.9327  4.6734 -1.366550      6.142541 
1 1 1 2  15 0  o 29.960  9.8048 1185.61   520.636  1185.61   520.636  0.0000    0.0000   29.960  9.8048 29.960  9.8048 0.000000       0.000000 
1 1 1 2  15 1  o 77.713  14.199 9497.87   2187.10  9662.09   2677.27  9168.43   3792.03  84.897  16.361 70.528  23.210 14.36889       28.39729 
1 1 1 2  15 2  o 53.200  9.8182 3676.58   1056.24  3801.46   1494.58  3551.98   1492.94  54.261  13.754 52.140  14.015 2.120899       19.63649 
1 1 1 2  15 3  o 27.376  4.9583 845.627   272.906  892.811   386.717  798.815   385.183  28.163  6.9162 26.589  7.1068 1.573528       9.916680 
1 1 1 2  15 4  o 43.990  9.2114 2986.28   867.837  2977.47   1226.78  2995.11   1227.83  43.914  13.029 44.065  13.025 -0.1503105     18.42289 
1 1 1 2  15 5  o 24.824  4.6009 694.284   231.296  664.069   325.363  725.154   328.868  24.272  6.5504 25.375  6.4626 -1.102146      9.201815 
1 1 1 2  15 6  o 27.862  5.4181 971.529   316.209  1160.92   446.996  781.814   447.379  30.791  7.3589 24.933  7.9544 5.857395       10.83626 
1 1 1 2  15 7  o 39.115  8.0840 2275.33   672.213  2290.47   947.149  2259.96   954.195  39.322  11.388 38.908  11.477 0.4132271      16.16810 
1 1 1 2  15 8  o 13.047  3.2235 160.562   109.894  59.386    160.604  249.641   150.696  11.009  4.5300 15.084  4.5872 -4.075207      6.446992 
1 1 1 2  15 9  o 32.921  7.6430 1937.41   582.089  2002.98   823.321  1871.87   823.074  33.624  10.797 32.218  10.820 1.406559       15.28596 
1 1 1 2  15 10 o 20.321  3.9754 511.156   163.171  478.974   281.091  527.511   200.391  19.419  6.3159 21.223  4.8296 -1.804697      7.950839 
1 1 1 2  15 11 o 18.244  3.8105 415.030   148.510  332.776   256.450  456.533   182.164  16.727  6.0140 19.762  4.6810 -3.035128      7.621045 
1 1 1 2  15 12 o 15.608  3.7368 287.331   153.891  96.682    222.791  461.297   212.821  12.225  5.2020 18.991  5.3659 -6.765652      7.473579 
1 1 1 2  15 13 o 14.946  3.9764 295.835   172.012  493.979   252.278  123.687   235.147  17.871  5.9904 12.020  5.2309 5.851661       7.952821 
1 1 1 2  15 14 o 16.148  4.5144 499.918   221.118  656.244   319.239  355.761   306.562  18.081  6.6780 14.215  6.0766 3.866768       9.028859 
1 1 1 2  15 15 o 9.2245  3.1072 72.570    156.793  141.361   234.205  16.698    211.072  9.7677  4.6065 8.6813  4.1712 1.086368       6.214403 
1 1 1 2  15 16 o 8.1286  2.7836 62.829    142.565  125.187   181.085  -38.8300  231.213  8.5578  4.0404 7.6994  3.8300 0.8583965      5.567230 
1 1 1 2  16 0  o 24.791  8.6375 846.217   387.149  0.0000    0.0000   846.217   387.149  24.791  8.6375 24.791  8.6375 -0.000000      0.000000 
1 1 1 2  16 1  o 34.321  9.0211 1466.97   627.360  1466.97   627.360  0.0000    0.0000   34.321  9.0211 ?       ?      ?              ?        
1 1 1 2  16 2  o 30.064  5.5883 1094.90   340.742  1149.06   481.792  1040.69   481.973  30.881  7.7989 29.248  8.0058 1.632462       11.17661 
1 1 1 2  16 3  o 40.565  7.8204 2212.65   651.906  2236.06   923.775  2189.42   920.105  40.800  11.049 40.330  11.071 0.4697647      15.64070 
1 1 1 2  16 4  o 39.037  7.2459 1926.07   573.505  2031.56   811.769  1820.96   810.351  40.253  10.100 37.822  10.392 2.430943       14.49181 
1 1 1 2  16 5  o 17.049  3.6927 321.242   137.800  325.561   194.525  316.891   195.233  17.147  5.2111 16.950  5.2335 0.1974201      7.385461 
1 1 1 2  16 6  o 33.011  6.4576 1438.21   440.885  1405.91   620.990  1471.05   626.052  32.608  9.1495 33.413  9.1154 -0.8053513     12.91520 
1 1 1 2  16 7  o 34.747  7.2956 1830.21   545.732  1680.59   767.628  1983.12   776.003  33.044  10.406 36.451  10.228 -3.406742      14.59111 
1 1 1 2  16 8  o 32.366  7.3759 1801.26   543.726  1868.14   765.221  1733.05   772.723  33.191  10.380 31.542  10.482 1.648321       14.75189 
1 1 1 2  16 9  o 24.290  5.3420 845.475   287.073  846.805   406.764  844.155   405.207  24.301  7.5626 24.279  7.5468 0.2138519E-01  10.68394 
1 1 1 2  16 10 o 15.965  3.8650 304.297   149.352  334.504   202.845  268.534   220.715  16.625  5.3616 15.305  5.5682 1.320023       7.729954 
1 1 1 2  16 11 o 31.217  5.4189 1287.02   325.970  1876.74   560.243  985.206   400.797  36.050  7.9811 26.383  7.3320 9.667574       10.83772 
1 1 1 2  16 12 o 17.571  3.7721 374.434   138.212  467.079   238.868  327.807   169.460  18.806  5.7859 16.336  4.8414 2.470123       7.544249 
1 1 1 2  16 13 o 10.367  3.1945 40.164    139.960  274.438   197.160  -197.8225 198.716  12.939  5.1259 7.7944  3.8137 5.144789       6.389038 
1 1 1 2  16 14 o 11.881  3.6987 212.532   170.928  185.846   243.415  238.491   240.078  11.580  5.1672 12.183  5.2936 -0.6032104     7.397479 
1 1 1 2  16 15 o 8.9750  3.0057 -22.5564  154.136  -286.5077 229.079  195.798   208.355  7.3710  3.6890 10.579  4.7463 -3.207885      6.011340 
1 1 1 2  17 0  o 45.998  15.821 3192.31   1309.31  3192.31   1309.31  0.0000    0.0000   45.998  15.821 45.998  15.821 0.000000       0.000000 
1 1 1 2  17 1  o 34.051  8.7799 1387.29   601.784  0.0000    0.0000   1387.29   601.784  ?       ?      34.051  8.7799 ?              ?        
1 1 1 2  17 2  o 29.371  5.3477 1006.27   316.079  1018.15   445.849  994.252   448.167  29.565  7.5220 29.177  7.6033 0.3879318      10.69536 
1 1 1 2  17 3  o 16.612  3.5066 305.933   125.401  291.394   175.024  321.270   179.759  16.247  4.9443 16.978  4.9739 -0.7318115     7.013216 
1 1 1 2  17 4  o 13.121  3.0348 176.915   91.725   172.328   128.682  181.654   130.782  12.983  4.2758 13.259  4.3079 -0.2758293     6.069656 
1 1 1 2  17 5  o 23.322  4.5358 633.795   218.212  643.322   308.251  624.226   308.948  23.503  6.3897 23.141  6.4395 0.3620739      9.071684 
1 1 1 2  17 6  o 14.684  3.4172 224.254   121.287  322.636   172.350  127.732   170.713  16.906  4.8467 12.462  4.8184 4.444531       6.834315 
1 1 1 2  17 7  o 12.274  3.1469 139.378   104.404  55.639    150.259  217.542   145.170  10.529  4.3617 14.019  4.5373 -3.490510      6.293790 
1 1 1 2  17 8  o 22.269  4.8255 656.893   236.993  739.028   334.733  574.339   335.587  23.708  6.7404 20.829  6.9072 2.879166       9.651011 
1 1 1 2  17 9  o 14.366  3.5126 214.592   127.062  121.017   173.014  324.154   187.210  12.144  4.8047 16.589  5.1253 -4.444378      7.025235 
1 1 1 2  17 10 o 13.757  3.6878 189.911   140.562  246.437   204.083  138.896   193.878  14.808  5.3594 12.705  5.0673 2.102955       7.375679 
1 1 1 2  17 11 o 10.221  3.1657 17.723    123.647  38.867    177.284  -2.3042   172.539  10.559  4.5685 9.8820  4.3835 0.6772585      6.331404 
1 1 1 2  17 12 o 19.509  4.5191 580.054   194.088  750.870   339.474  497.103   236.566  20.744  6.9490 18.274  5.7794 2.470091       9.038217 
1 1 1 2  17 13 o 18.928  5.2303 848.383   303.771  566.595   427.540  1135.66   431.684  15.761  6.9503 22.095  7.8177 -6.334009      10.46052 
1 1 1 2  17 14 o 10.341  3.3565 151.628   155.012  87.917    201.535  243.917   242.561  9.5325  4.4222 11.149  5.0506 -1.616483      6.713059 
1 1 1 2  17 15 o 8.8818  3.0730 203.794   183.878  94.807    265.560  304.170   254.854  8.3006  4.1250 9.4630  4.5560 -1.162364      6.145969 
1 1 1 2  18 0  o 5.6541  3.3413 36.936    64.944   0.0000    0.0000   36.936    64.944   5.6541  3.3413 5.6541  3.3413 -0.000000      0.000000 
1 1 1 2  18 1  o 17.609  3.6399 340.887   136.764  382.011   195.477  301.455   191.415  18.553  5.1069 16.665  5.1881 1.887344       7.279833 
1 1 1 2  18 2  o 9.5926  2.4964 73.369    63.647   44.476    85.893   108.551   94.782   8.5575  3.3855 10.628  3.6698 -2.070315      4.992884 
1 1 1 2  18 3  o 37.661  7.6338 2048.12   605.407  2142.40   856.487  1953.98   855.864  38.711  10.704 36.611  10.887 2.099663       15.26758 
1 1 1 2  18 4  o 38.764  8.2366 2335.14   690.114  2303.56   977.232  2366.57   974.708  38.421  11.681 39.108  11.616 -0.6861992     16.47330 
1 1 1 2  18 5  o 39.317  8.8190 2668.93   782.689  2894.78   1107.87  2443.88   1105.91  41.432  12.402 37.202  12.542 4.230049       17.63805 
1 1 1 2  18 6  o 21.204  4.4667 564.243   203.692  579.299   283.285  548.125   293.093  21.540  6.2251 20.868  6.4072 0.6719589      8.933301 
1 1 1 2  18 7  f 30.895  7.0425 1619.66   497.077  1739.04   701.143  1499.02   704.816  32.336  9.9069 29.454  10.012 2.881668       14.08503 
1 1 1 2  18 8  o 13.448  3.3406 160.623   123.271  318.309   176.371  10.025    172.361  16.550  4.9470 10.347  4.4906 6.202964       6.681175 
1 1 1 2  18 9  o 16.714  3.9468 328.116   159.109  230.880   226.525  422.801   223.533  14.807  5.5933 18.621  5.5700 -3.813923      7.893679 
1 1 1 2  18 10 o 20.255  4.8342 608.372   232.997  561.990   330.192  654.372   328.828  19.479  6.8425 21.031  6.8307 -1.551832      9.668472 
1 1 1 2  18 11 o 19.664  4.7894 586.832   229.728  496.703   316.933  686.609   333.466  18.208  6.6651 21.120  6.8797 -2.911573      9.578810 
1 1 1 2  18 12 o 9.2162  2.9261 30.955    106.668  120.994   181.132  -16.8483  131.980  10.517  4.5836 7.9157  3.6385 2.601015       5.852207 
1 1 1 2  18 13 o 9.6944  3.0475 69.465    120.220  1.8326    192.554  112.669   153.901  9.2384  4.2982 10.150  4.3215 -0.9120970     6.095042 
1 1 1 2  18 14 o 9.0295  3.0538 0.3480    160.820  -181.3423 232.800  166.199   222.421  7.8693  3.9024 10.190  4.6983 -2.320375      6.107628 
1 1 1 2  19 0  o 51.189  27.606 9844.48   3926.72  9844.48   3926.72  0.0000    0.0000   51.189  27.606 51.189  27.606 0.000000       0.000000 
1 1 1 2  19 1  o 45.437  12.496 5805.05   1673.10  6770.81   2363.51  4835.02   2368.73  50.349  18.236 40.526  17.089 9.823280       24.99176 
1 1 1 2  19 2  o 37.522  11.938 2430.52   1008.22  0.0000    0.0000   2430.52   1008.22  ?       ?      37.522  11.938 ?              ?        
1 1 1 2  19 3  o 30.512  6.0374 1242.90   382.937  1251.23   541.799  1234.60   541.310  30.626  8.5295 30.397  8.5469 0.2291412      12.07488 
1 1 1 2  19 4  o 37.179  8.8663 2669.12   782.287  2582.72   1106.84  2755.36   1105.80  36.385  12.542 37.973  12.536 -1.588089      17.73265 
1 1 1 2  19 5  o 21.896  4.6379 613.386   219.056  604.275   311.529  622.298   308.084  21.715  6.5936 22.076  6.5242 -0.3611259     9.275824 
1 1 1 2  19 6  o 24.616  5.2776 843.620   283.170  903.891   400.228  783.207   400.698  25.589  7.4004 23.644  7.5263 1.945248       10.55514 
1 1 1 2  19 7  o 33.326  7.9094 2082.08   624.596  2228.54   881.698  1934.54   884.936  34.853  11.172 31.799  11.199 3.053684       15.81877 
1 1 1 2  19 8  o 20.841  4.4764 551.141   203.659  504.383   287.748  598.075   288.289  19.956  6.3807 21.725  6.2801 -1.769354      8.952806 
1 1 1 2  19 9  f 18.293  4.0210 430.439   175.583  237.036   256.966  599.817   240.476  14.794  5.8547 21.792  5.5134 -6.997972      8.042056 
1 1 1 2  19 10 o 16.753  4.1378 373.140   172.884  310.261   255.724  426.071   234.626  15.646  5.9351 17.860  5.7670 -2.213769      8.275517 
1 1 1 2  19 11 o 9.5866  3.0987 -36.7209  135.056  70.447    195.851  -133.8889 186.490  10.757  4.7250 8.4167  4.0103 2.339891       6.197464 
1 1 1 2  19 12 o 13.814  3.8979 281.974   183.886  16.137    263.865  532.988   256.403  10.537  4.9444 17.090  6.0273 -6.552804      7.795869 
1 1 1 2  19 13 o 11.007  3.4463 221.393   140.028  301.179   277.235  194.068   162.245  11.334  5.2327 10.680  4.4863 0.6541958      6.892644 
1 1 1 2  19 14 o 8.1003  2.8491 -5.1196   171.390  286.674   259.788  -229.9989 228.063  9.3814  4.5372 6.8193  3.4471 2.562134       5.698108 
1 1 1 2  20 0  o 18.156  7.2837 493.149   257.058  0.0000    0.0000   493.149   257.058  18.156  7.2837 18.156  7.2837 -0.000000      0.000000 
1 1 1 2  20 1  o 15.889  3.5706 284.097   127.729  260.425   177.826  309.327   183.584  15.310  5.0257 16.468  5.0733 -1.157554      7.141162 
1 1 1 2  20 2  o 17.335  3.6803 350.450   137.916  323.073   191.128  380.190   199.209  16.687  5.1824 17.984  5.2268 -1.296518      7.360520 
1 1 1 2  20 3  o 13.923  3.4082 203.618   116.638  150.794   158.076  266.747   172.808  12.543  4.6859 15.303  4.9502 -2.760188      6.816303 
1 1 1 2  20 4  o 11.874  2.8022 89.294    96.396   -91.2542  132.890  289.793   140.040  7.7811  3.6031 15.966  4.2927 -8.184900      5.604429 
1 1 1 2  20 5  o 20.820  4.5692 572.294   210.414  541.727   297.308  602.969   297.833  20.256  6.4867 21.383  6.4369 -1.126593      9.138445 
1 1 1 2  20 6  o 26.338  5.6344 983.817   322.132  970.840   455.986  996.745   455.143  26.136  7.9863 26.540  7.9501 -0.4034081     11.26873 
1 1 1 2  20 7  o 18.111  4.1545 399.334   172.072  392.557   241.849  406.281   244.871  17.978  5.8590 18.244  5.8917 -0.2667484     8.309012 
1 1 1 2  20 8  o 20.889  4.7408 592.164   224.876  555.282   318.026  629.044   318.020  20.241  6.7246 21.536  6.6844 -1.295210      9.481629 
1 1 1 2  20 9  o 22.267  5.3881 822.561   290.238  901.851   410.763  743.505   410.155  23.426  7.6357 21.108  7.6039 2.317657       10.77610 
1 1 1 2  20 10 o 9.1911  2.9846 -39.6594  125.533  -70.9527  182.283  -11.4289  173.133  8.9672  4.1754 9.4150  4.2659 -0.4477167     5.969207 
1 1 1 2  20 11 o 10.341  3.1952 82.531    125.149  82.279    179.706  82.769    174.388  10.373  4.5420 10.309  4.4953 0.6321907E-01  6.390377 
1 1 1 2  20 12 o 10.468  3.2409 137.178   120.697  140.782   241.200  135.974   139.406  10.724  4.9255 10.212  4.2134 0.5121708      6.481801 
1 1 1 2  20 13 o 9.2442  3.0692 67.792    142.605  -6.9661   257.959  100.695   171.132  9.1115  4.4333 9.3769  4.2456 -0.2653408     6.138360 
1 1 1 2  21 0  o 12.750  5.9955 257.811   171.942  0.0000    0.0000   257.811   171.942  12.750  5.9955 12.750  5.9955 -0.000000      0.000000 
1 1 1 2  21 1  o 18.504  3.9666 410.218   161.389  333.106   225.062  491.842   231.555  16.840  5.6580 20.169  5.5608 -3.329248      7.933210 
1 1 1 2  21 2  o 17.536  5.5370 371.392   217.212  0.0000    0.0000   371.392   217.212  ?       ?      17.536  5.5370 ?              ?        
1 1 1 2  21 3  o 6.5644  2.1636 -88.0734  70.171   -131.6141 97.060   -40.3962  101.566  5.8683  2.8219 7.2605  3.2805 -1.392241      4.327225 
1 1 1 2  21 4  o 26.412  5.6542 996.720   324.811  1054.33   460.708  939.779   458.008  27.255  7.9565 25.570  8.0359 1.685341       11.30846 
1 1 1 2  21 5  o 18.066  4.1565 412.373   172.645  369.354   240.357  458.224   248.141  17.203  5.8468 18.929  5.9093 -1.725752      8.312944 
1 1 1 2  21 6  o 14.630  3.6515 238.019   133.779  275.629   190.783  201.638   187.641  15.416  5.2092 13.844  5.1184 1.572634       7.302995 
1 1 1 2  21 7  o 11.834  3.3158 121.981   116.743  111.937   165.744  131.870   164.462  11.656  4.6727 12.012  4.7057 -0.3557472     6.631530 
1 1 1 2  21 8  o 12.401  3.3904 145.900   119.906  82.147    157.004  235.125   185.739  10.772  4.4603 14.031  5.1075 -3.258214      6.780876 
1 1 1 2  21 9  o 14.470  4.0280 313.660   172.232  366.112   244.901  262.330   242.266  15.279  5.8051 13.660  5.5857 1.618379       8.056028 
1 1 1 2  21 10 o 11.323  3.5236 156.992   154.696  152.879   223.229  160.793   214.573  11.296  4.9996 11.350  4.9667 -0.5422878E-01 7.047256 
1 1 1 2  21 11 o 9.3393  3.0756 -68.1137  147.516  158.931   211.441  -283.4277 205.907  11.229  4.9216 7.4493  3.6898 3.780049       6.151206 
1 1 1 2  21 12 o 11.753  3.8324 456.803   211.308  557.029   298.380  355.964   299.291  12.581  5.6594 10.925  5.1692 1.656025       7.664788 
1 1 1 2  21 13 o 7.8344  2.6521 57.736    121.620  -59.1966  217.262  111.099   146.770  7.4001  3.6862 8.2687  3.8140 -0.8686318     5.304226 
1 1 1 2  22 0  o 15.352  6.8616 374.366   224.062  374.366   224.062  0.0000    0.0000   15.352  6.8616 15.352  6.8616 0.000000       0.000000 
1 1 1 2  22 1  o 11.911  3.0721 135.992   94.799   114.831   127.247  162.386   142.113  11.226  4.2022 12.595  4.4824 -1.368704      6.144120 
1 1 1 2  22 2  o 22.763  6.8913 688.107   340.660  0.0000    0.0000   688.107   340.660  ?       ?      22.763  6.8913 ?              ?        
1 1 1 2  22 3  o 18.334  4.1327 426.093   170.806  420.394   242.294  431.724   240.824  18.215  5.8583 18.453  5.8306 -0.2376995     8.265360 
1 1 1 2  22 4  o 21.408  4.6195 589.112   216.318  544.588   303.590  635.031   308.304  20.598  6.5506 22.218  6.5153 -1.620228      9.238988 
1 1 1 2  22 5  o 14.446  3.6651 229.901   135.180  195.857   189.223  265.384   193.184  13.719  5.1266 15.172  5.2392 -1.452702      7.330125 
1 1 1 2  22 6  o 7.9851  2.5273 -73.8290  89.385   54.497    127.751  -196.9027 125.109  9.6694  4.0151 6.3007  3.0705 3.368757       5.054578 
1 1 1 2  22 7  o 11.218  3.2518 94.401    117.954  146.185   167.422  43.365    166.210  12.111  4.7469 10.326  4.4456 1.784842       6.503557 
1 1 1 2  22 8  o 18.762  4.8949 675.095   251.293  496.087   353.271  858.448   357.532  16.254  6.7070 21.269  7.1314 -5.015228      9.789796 
1 1 1 2  22 9  o 13.262  3.9279 317.684   176.444  376.053   249.284  259.085   249.775  14.042  5.6947 12.482  5.4115 1.560290       7.855844 
1 1 1 2  22 10 o 8.2962  2.7916 -102.7922 126.018  -207.1031 168.106  31.024    190.402  7.0640  3.4669 9.5284  4.3763 -2.464438      5.583147 
1 1 1 2  22 11 o 9.5487  3.2068 75.949    166.493  189.669   240.772  -28.2551  230.478  10.400  4.8278 8.6975  4.2223 1.702401       6.413684 
1 1 1 2  22 12 o 8.6299  2.9904 56.142    174.720  64.786    249.781  47.861    244.486  8.6873  4.2559 8.5726  4.2020 0.1146574      5.980767 
1 1 1 2  23 0  o 4.5512  3.1822 -100.5336 107.224  0.0000    0.0000   -100.5336 107.224  4.5512  3.1822 4.5512  3.1822 -0.000000      0.000000 
1 1 1 2  23 1  o 15.948  3.7752 297.241   141.781  265.167   194.761  333.401   206.796  15.209  5.2600 16.686  5.4168 -1.477952      7.550486 
1 1 1 2  23 2  o 16.208  5.4793 314.029   211.086  0.0000    0.0000   314.029   211.086  ?       ?      16.208  5.4793 ?              ?        
1 1 1 2  23 3  o 26.329  5.7384 1035.41   334.058  932.601   472.876  1137.84   471.983  24.817  8.1978 27.840  8.0321 -3.022448      11.47686 
1 1 1 2  23 4  o 11.753  3.3155 121.607   116.861  114.140   157.017  130.878   174.968  11.458  4.5633 12.048  4.8112 -0.5901289     6.631091 
1 1 1 2  23 5  o 14.399  3.6832 228.604   143.065  108.122   197.583  361.386   207.424  11.987  4.9867 16.812  5.4218 -4.824197      7.366384 
1 1 1 2  23 6  o 21.910  5.0861 724.405   257.696  698.680   364.049  750.240   364.825  21.499  7.1961 22.322  7.1896 -0.8235588     10.17224 
1 1 1 2  23 7  f 18.043  4.6531 550.403   220.327  471.098   311.579  629.719   311.600  16.802  6.5059 19.284  6.6542 -2.482199      9.306228 
1 1 1 2  23 8  o 10.673  3.2754 127.975   128.495  118.476   169.044  140.974   197.755  10.414  4.4835 10.931  4.7760 -0.5165052     6.550751 
1 1 1 2  23 9  o 9.0462  2.9468 3.5422    119.487  -26.1957  151.981  51.674    193.353  8.2699  3.8378 9.8225  4.4729 -1.552571      5.893683 
1 1 1 2  23 10 o 7.5106  2.6233 -195.6916 143.529  -183.2531 202.927  -208.1432 203.034  7.5789  3.7371 7.4424  3.6824 0.1364999      5.246511 
1 1 1 2  23 11 o 9.5727  3.1168 102.922   144.449  -52.3745  210.445  241.272   198.630  8.2275  4.0034 10.918  4.7781 -2.690511      6.233563 
1 1 1 2  24 0  o 19.179  8.3532 643.097   332.366  0.0000    0.0000   643.097   332.366  19.179  8.3532 19.179  8.3532 -0.000000      0.000000 
1 1 1 2  24 1  o 18.935  4.4292 498.593   195.420  454.050   270.654  547.106   282.456  18.134  6.2041 19.735  6.3229 -1.601000      8.858360 
1 1 1 2  24 2  o 12.144  3.2377 101.362   111.193  -5.6983   139.439  288.339   184.274  8.9819  3.9646 15.307  5.1198 -6.325005      6.475344 
1 1 1 2  24 3  o 14.726  5.2879 265.397   198.206  0.0000    0.0000   265.397   198.206  ?       ?      14.726  5.2879 ?              ?        
1 1 1 2  24 4  o 13.816  3.5660 219.286   127.606  197.969   171.623  245.640   190.824  13.273  4.8976 14.358  5.1845 -1.084887      7.131984 
1 1 1 2  24 5  o 13.479  3.7126 233.406   145.008  189.260   203.337  279.092   206.854  12.691  5.1445 14.266  5.3543 -1.574892      7.425227 
1 1 1 2  24 6  o 11.389  3.2867 127.083   119.241  67.956    160.663  199.595   177.920  10.165  4.3735 12.614  4.9074 -2.448777      6.573436 
1 1 1 2  24 7  o 12.774  3.4835 193.076   147.309  434.243   207.837  -50.3722  208.818  16.305  5.4371 9.2424  4.3561 7.062951       6.966901 
1 1 1 2  24 8  o 8.4977  2.8402 -60.5817  127.792  -9.7392   180.276  -111.9343 181.178  8.9503  4.1624 8.0452  3.8653 0.9050789      5.680304 
1 1 1 2  24 9  o 11.876  3.7285 289.785   182.456  422.921   256.074  152.499   260.034  13.278  5.6100 10.474  4.9126 2.803852       7.456913 
1 1 1 2  24 10 o 10.762  3.4236 149.420   167.298  -117.2300 230.945  443.861   242.681  8.2053  4.0344 13.319  5.5324 -5.113196      6.847198 
1 1 1 2  24 11 o 8.7342  3.0079 72.060    169.950  -119.8051 237.354  273.913   243.454  7.5731  3.7849 9.8952  4.6758 -2.322071      6.015736 
1 1 1 2  25 0  o 19.812  8.5271 682.902   346.751  682.902   346.751  0.0000    0.0000   19.812  8.5271 19.812  8.5271 0.000000       0.000000 
1 1 1 2  25 1  o 12.093  3.3633 142.365   120.026  170.871   163.472  109.023   176.794  12.587  4.7523 11.599  4.7606 0.9872656      6.726608 
1 1 1 2  25 2  o 12.165  3.3918 123.751   124.406  21.680    160.541  277.173   196.824  9.7296  4.2758 14.600  5.2664 -4.869968      6.783609 
1 1 1 2  25 3  o 10.090  4.3186 72.462    155.176  0.0000    0.0000   72.462    155.176  ?       ?      10.090  4.3186 ?              ?        
1 1 1 2  25 4  o 11.872  3.4262 153.106   128.603  151.363   182.372  154.831   181.376  11.847  4.8456 11.897  4.8452 -0.4921627E-01 6.852372 
1 1 1 2  25 5  o 8.1842  2.7177 -49.9789  113.616  -16.6971  157.316  -86.2644  164.262  8.4609  3.9187 7.9074  3.7666 0.5534606      5.435418 
1 1 1 2  25 6  o 12.473  3.5949 181.613   152.634  343.447   213.801  13.398    217.975  14.783  5.4640 10.163  4.6731 4.619980       7.189787 
1 1 1 2  25 7  o 8.7695  2.7721 -3.2599   109.659  -185.1507 171.900  121.551   142.396  7.3036  3.5679 10.235  4.2436 -2.931910      5.544240 
1 1 1 2  25 8  o 8.0936  2.7583 -75.2311  134.893  45.769    189.627  -199.1883 191.930  8.9682  4.2028 7.2191  3.5734 1.749070       5.516588 
1 1 1 2  25 9  o 11.512  3.7323 324.373   194.746  334.532   273.677  313.953   277.180  11.616  5.3019 11.408  5.2546 0.2080765      7.464664 
1 1 1 2  25 10 o 8.7060  2.9407 123.219   143.668  120.438   200.650  126.146   205.802  8.6813  4.1429 8.7307  4.1746 -0.4942894E-01 5.881359 
1 1 1 2  26 0  o 9.0358  5.4050 148.519   173.755  148.519   173.755  0.0000    0.0000   9.0358  5.4050 9.0358  5.4050 0.000000       0.000000 
1 1 1 2  26 1  o 14.119  3.9280 350.855   166.056  411.557   226.280  280.013   244.449  15.243  5.6238 12.995  5.4853 2.248269       7.855934 
1 1 1 2  26 2  o 9.8378  4.4604 61.752    189.629  0.0000    0.0000   61.752    189.629  ?       ?      9.8378  4.4604 ?              ?        
1 1 1 2  26 3  o 9.8660  4.3302 72.906    164.193  0.0000    0.0000   72.906    164.193  ?       ?      9.8660  4.3302 ?              ?        
1 1 1 2  26 4  o 12.352  3.5989 200.657   143.586  204.744   204.152  196.657   201.988  12.419  5.1085 12.286  5.0707 0.1332626      7.197828 
1 1 1 2  26 5  o 10.014  3.1361 63.998    130.584  182.705   181.450  -63.5379  188.076  11.446  4.7716 8.5810  4.0710 2.865067       6.272277 
1 1 1 2  26 6  o 11.222  3.4533 172.395   156.085  345.192   216.813  -13.5089  224.885  13.239  5.3312 9.2044  4.3907 4.034925       6.906536 
1 1 1 2  26 7  o 11.039  3.6134 320.571   191.048  186.270   265.995  463.674   274.573  9.9156  4.7425 12.162  5.4530 -2.246131      7.226789 
1 1 1 2  26 8  o 8.5916  2.8098 16.968    129.848  172.942   158.064  -306.7453 227.712  10.075  4.3364 7.1084  3.5743 2.966477       5.619596 
1 1 1 2  26 9  o 7.9508  3.8113 -175.9470 136.590  36.159    173.991  -516.6167 220.504  7.9508  3.8113 ?       ?      ?              ?        
1 1 1 2  27 0  o 7.9712  5.1497 77.138    191.881  77.138    191.881  0.0000    0.0000   7.9712  5.1497 7.9712  5.1497 0.000000       0.000000 
1 1 1 2  27 1  o 12.713  3.7107 259.116   152.403  237.135   205.837  285.789   226.737  12.388  5.1162 13.038  5.3759 -0.6507416     7.421302 
1 1 1 2  27 2  o 11.471  3.4682 154.904   138.590  61.839    175.602  308.618   225.681  9.6875  4.3510 13.255  5.4022 -3.567115      6.936492 
1 1 1 2  27 3  o 12.947  5.5085 302.222   249.769  0.0000    0.0000   302.222   249.769  ?       ?      12.947  5.5085 ?              ?        
1 1 1 2  27 4  o 10.294  4.6102 133.351   195.643  0.0000    0.0000   133.351   195.643  ?       ?      10.294  4.6102 ?              ?        
1 1 1 2  27 5  o 11.183  3.5581 274.402   170.412  373.854   238.587  170.822   243.486  12.232  5.2960 10.134  4.7532 2.098125       7.116212 
1 1 1 2  27 6  f 11.896  3.7978 362.686   195.050  444.886   270.091  273.092   281.977  12.761  5.5785 11.030  5.1549 1.731384       7.595620 
1 1 1 2  27 7  o 9.4958  3.2440 266.431   187.319  315.637   260.005  213.328   270.101  9.8374  4.7005 9.1541  4.4721 0.6833487      6.488004 
1 1 1 2  28 0  f 11.547  6.9129 400.067   284.704  0.0000    0.0000   400.067   284.704  11.547  6.9129 11.547  6.9129 -0.000000      0.000000 
1 1 1 2  28 1  o 6.5102  2.2914 -258.7581 119.803  -136.3795 159.487  -417.2366 181.492  7.0078  3.4262 6.0125  3.0434 0.9953089      4.582749 
1 1 1 2  28 2  o 8.2171  3.9906 -42.6293  206.399  0.0000    0.0000   -42.6293  206.399  ?       ?      8.2171  3.9906 ?              ?        
1 1 1 2  28 3  o 10.095  4.7216 208.184   237.320  0.0000    0.0000   208.184   237.320  ?       ?      10.095  4.7216 ?              ?        
1 1 1 2  28 4  o 11.945  5.3362 349.498   260.384  0.0000    0.0000   349.498   260.384  ?       ?      11.945  5.3362 ?              ?        
1 1 1 2  28 5  o 10.777  3.5638 363.979   193.055  242.531   271.201  488.743   274.878  9.8334  4.7256 11.721  5.3357 -1.887621      7.127529 
1 1 1 2  28 6  o 7.7175  2.6853 -23.4644  147.046  66.942    201.322  -126.8500 215.289  8.2125  3.9773 7.2225  3.6089 0.9900274      5.370590 
1 1 1 2  29 0  o 10.525  6.4843 363.605   266.307  0.0000    0.0000   363.605   266.307  10.525  6.4843 10.525  6.4843 -0.000000      0.000000 
1 1 1 2  29 1  o 9.9778  3.2868 201.849   156.515  178.433   195.206  244.000   261.905  9.7834  4.4702 10.172  4.8196 -0.3888941     6.573509 
1 1 1 2  29 2  o 7.5395  2.6223 -39.5135  117.090  -91.8235  137.027  102.050   225.418  6.4379  3.1536 8.6411  4.1905 -2.203247      5.244537 
1 1 1 2  29 3  o 8.6714  4.2389 180.951   243.798  0.0000    0.0000   180.951   243.798  ?       ?      8.6714  4.2389 ?              ?        
1 1 1 2  29 4  o 7.4864  3.6759 -49.4137  189.673  0.0000    0.0000   -49.4137  189.673  ?       ?      7.4864  3.6759 ?              ?        
1 1 1 3  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  1  1  o 150.300 42.527 33886.56  13357.66 0.0000    0.0000   33886.56  13357.66 ?       ?      150.300 42.527 ?              ?        
1 1 1 3  1  2  o 204.901 36.087 52953.73  14737.02 54051.37  20843.47 51856.54  20839.10 207.403 50.679 202.398 51.388 5.005219       72.17412 
1 1 1 3  1  3  o 147.427 16.342 23722.51  4815.21  24640.50  6809.39  22804.34  6810.08  150.542 22.616 144.313 23.595 6.228714       32.68354 
1 1 1 3  1  4  o 141.690 14.854 21482.43  4209.40  21594.43  5951.91  21370.34  5954.06  142.087 20.945 141.293 21.070 0.7943726      29.70885 
1 1 1 3  1  5  o 81.419  8.4167 6845.12   1370.48  6769.41   1938.17  6920.83   1938.15  80.954  11.971 81.884  11.835 -0.9298553     16.83331 
1 1 1 3  1  6  o 142.496 15.728 22578.29  4481.72  22201.61  6338.07  22954.97  6338.14  141.174 22.448 143.817 22.035 -2.643295      31.45564 
1 1 1 3  1  7  o 75.211  10.307 6184.14   1434.00  6123.20   1756.38  6305.99   2483.52  76.327  11.506 74.095  17.105 2.232231       20.61489 
1 1 1 3  1  8  o 83.853  12.787 7578.20   2144.53  7578.20   2144.53  0.0000    0.0000   83.853  12.787 ?       ?      ?              ?        
1 1 1 3  1  9  o 35.173  5.6000 1276.74   393.929  1276.74   393.929  0.0000    0.0000   35.173  5.6000 ?       ?      ?              ?        
1 1 1 3  1  10 o 28.805  5.2639 910.035   292.076  910.035   292.076  0.0000    0.0000   28.805  5.2639 ?       ?      ?              ?        
1 1 1 3  1  11 o 16.309  4.0082 291.439   129.811  291.439   129.811  0.0000    0.0000   16.309  4.0082 ?       ?      ?              ?        
1 1 1 3  1  12 o 11.286  3.7077 130.955   96.778   130.955   96.778   0.0000    0.0000   11.286  3.7077 ?       ?      ?              ?        
1 1 1 3  1  13 o 10.604  3.7630 109.721   100.092  109.721   100.092  0.0000    0.0000   10.604  3.7630 ?       ?      ?              ?        
1 1 1 3  1  14 o 18.973  4.7095 426.854   177.872  426.854   177.872  0.0000    0.0000   18.973  4.7095 ?       ?      ?              ?        
1 1 1 3  1  15 o 14.304  4.5140 245.146   144.377  245.146   144.377  0.0000    0.0000   14.304  4.5140 ?       ?      ?              ?        
1 1 1 3  1  16 o 17.755  5.1600 434.546   194.157  434.546   194.157  0.0000    0.0000   17.755  5.1600 ?       ?      ?              ?        
1 1 1 3  1  17 o 7.4281  3.5155 -73.7900  138.595  -73.7900  138.595  0.0000    0.0000   7.4281  3.5155 ?       ?      ?              ?        
1 1 1 3  1  18 o 10.743  4.6440 202.863   182.874  202.863   182.874  0.0000    0.0000   10.743  4.6440 ?       ?      ?              ?        
1 1 1 3  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  2  2  o 92.851  20.381 9247.41   3681.00  0.0000    0.0000   9247.41   3681.00  ?       ?      92.851  20.381 ?              ?        
1 1 1 3  2  3  o 102.642 10.604 10973.71  2174.40  11556.38  3076.55  10392.15  3073.58  105.476 14.584 99.808  15.397 5.667290       21.20800 
1 1 1 3  2  4  o 116.240 12.512 14246.79  2908.69  14367.80  4113.34  14125.76  4113.68  116.761 17.614 115.719 17.774 1.041641       25.02383 
1 1 1 3  2  5  o 144.493 15.920 23211.97  4600.35  22884.04  6504.11  23540.26  6507.63  143.363 22.684 145.624 22.344 -2.262024      31.84052 
1 1 1 3  2  6  o 151.771 24.417 32726.06  7424.41  39589.82  9096.08  19026.24  12850.80 187.982 24.194 115.559 42.420 72.42290       48.83441 
1 1 1 3  2  7  o 109.652 16.486 14762.28  3380.59  14831.80  4140.43  14623.25  5855.15  114.791 18.035 104.513 27.602 10.27805       32.97130 
1 1 1 3  2  8  o 82.462  12.999 9417.32   2174.84  12027.38  2665.48  4218.90   3761.70  105.416 12.643 59.508  22.718 45.90767       25.99850 
1 1 1 3  2  9  o 46.015  6.5068 2293.01   552.621  2125.56   676.939  2627.55   956.830  44.098  7.9688 47.933  10.289 -3.835754      13.01367 
1 1 1 3  2  10 o 17.694  3.9317 337.651   135.524  337.651   135.524  0.0000    0.0000   17.694  3.9317 ?       ?      ?              ?        
1 1 1 3  2  11 o 33.355  6.2978 1294.27   404.731  1294.27   404.731  0.0000    0.0000   33.355  6.2978 ?       ?      ?              ?        
1 1 1 3  2  12 o 28.520  5.5381 938.549   304.505  938.549   304.505  0.0000    0.0000   28.520  5.5381 ?       ?      ?              ?        
1 1 1 3  2  13 o 23.337  5.0376 634.997   228.234  634.997   228.234  0.0000    0.0000   23.337  5.0376 ?       ?      ?              ?        
1 1 1 3  2  14 o 13.990  4.2540 224.548   129.602  224.548   129.602  0.0000    0.0000   13.990  4.2540 ?       ?      ?              ?        
1 1 1 3  2  15 o 30.317  7.0304 1324.56   417.999  1324.56   417.999  0.0000    0.0000   30.317  7.0304 ?       ?      ?              ?        
1 1 1 3  2  16 o 27.189  7.4388 1273.45   416.224  1273.45   416.224  0.0000    0.0000   27.189  7.4388 ?       ?      ?              ?        
1 1 1 3  2  17 o 6.0740  3.0113 -238.8100 138.259  -238.8100 138.259  0.0000    0.0000   6.0740  3.0113 ?       ?      ?              ?        
1 1 1 3  2  18 o 7.9320  3.7546 -18.3919  158.209  -18.3919  158.209  0.0000    0.0000   7.9320  3.7546 ?       ?      ?              ?        
1 1 1 3  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  3  3  o 45.242  4.7711 2063.15   431.674  2029.95   609.461  2096.56   611.504  44.875  6.7907 45.610  6.7036 -0.7349968     9.542104 
1 1 1 3  3  4  o 98.685  10.376 10219.27  2047.95  10240.52  2896.81  10198.03  2895.66  98.792  14.661 98.578  14.687 0.2133713      20.75242 
1 1 1 3  3  5  o 121.466 16.899 16401.60  3791.20  14791.83  4643.94  19618.25  6564.60  114.520 21.051 128.412 26.442 -13.89185      33.79818 
1 1 1 3  3  6  o 108.831 13.588 11993.17  2793.49  9801.13   3419.31  16392.70  4844.16  94.322  18.786 123.341 19.637 -29.01904      27.17585 
1 1 1 3  3  7  o 56.652  7.0958 3163.22   759.618  2651.45   929.546  4192.01   1317.95  49.841  9.6740 63.464  10.383 -13.62300      14.19166 
1 1 1 3  3  8  o 57.818  7.9106 3571.91   843.772  3252.82   1033.10  4211.22   1462.31  54.632  9.8158 61.003  12.408 -6.370731      15.82115 
1 1 1 3  3  9  o 12.674  2.6276 168.205   68.900   180.446   83.692   142.460   121.376  13.099  3.2177 12.249  4.1549 0.8507357      5.255165 
1 1 1 3  3  10 o 33.274  4.5775 1117.38   288.852  752.451   352.373  1864.92   504.331  25.413  6.7995 41.135  6.1302 -15.72152      9.154963 
1 1 1 3  3  11 o 18.970  3.3375 424.597   129.275  509.279   157.847  252.088   225.293  22.127  3.5669 15.812  5.6420 6.314404       6.674899 
1 1 1 3  3  12 o 11.669  3.3268 146.415   81.425   146.415   81.425   0.0000    0.0000   11.669  3.3268 ?       ?      ?              ?        
1 1 1 3  3  13 o 28.375  5.8401 972.937   320.381  972.937   320.381  0.0000    0.0000   28.375  5.8401 ?       ?      ?              ?        
1 1 1 3  3  14 o 8.5143  3.4043 46.688    87.721   46.688    87.721   0.0000    0.0000   8.5143  3.4043 ?       ?      ?              ?        
1 1 1 3  3  15 o 29.099  6.7519 1184.14   385.354  1184.14   385.354  0.0000    0.0000   29.099  6.7519 ?       ?      ?              ?        
1 1 1 3  3  16 o 10.351  4.2230 93.645    138.089  93.645    138.089  0.0000    0.0000   10.351  4.2230 ?       ?      ?              ?        
1 1 1 3  3  17 o 12.900  4.6394 249.883   152.621  249.883   152.621  0.0000    0.0000   12.900  4.6394 ?       ?      ?              ?        
1 1 1 3  3  18 o 10.561  4.4469 194.551   160.030  194.551   160.030  0.0000    0.0000   10.561  4.4469 ?       ?      ?              ?        
1 1 1 3  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  4  3  o 103.752 23.672 12095.35  4803.60  12095.35  4803.60  0.0000    0.0000   103.752 23.672 ?       ?      ?              ?        
1 1 1 3  4  4  o 55.749  8.2621 3713.66   857.646  4496.11   1050.18  2146.77   1486.11  66.404  7.9075 45.093  14.509 21.31116       16.52416 
1 1 1 3  4  5  o 107.197 18.309 13838.08  3881.20  13978.46  5490.66  13697.89  5487.03  107.815 25.807 106.579 25.978 1.235229       36.61756 
1 1 1 3  4  6  o 93.059  15.453 10034.27  2826.87  9837.27   4001.02  10230.63  3994.58  92.032  22.030 94.085  21.675 -2.052589      30.90506 
1 1 1 3  4  7  o 121.003 24.982 22980.41  6423.17  23412.49  9080.02  22547.63  9087.45  122.502 35.197 119.504 35.462 2.997421       49.96343 
1 1 1 3  4  8  o 39.138  6.6053 1702.87   509.858  1693.31   718.721  1712.57   723.397  39.029  9.3334 39.248  9.3492 -0.2184372     13.21066 
1 1 1 3  4  9  o 57.320  10.670 4340.68   1240.65  4185.12   1752.10  4497.10   1756.99  56.108  15.225 58.533  14.954 -2.424870      21.34094 
1 1 1 3  4  10 o 25.674  4.7141 757.784   250.556  537.971   349.858  989.230   358.997  21.796  7.0427 29.552  6.2683 -7.756071      9.428208 
1 1 1 3  4  11 o 27.428  5.2296 900.316   293.682  854.942   414.298  946.144   416.367  26.697  7.4670 28.160  7.3239 -1.462822      10.45925 
1 1 1 3  4  12 o 35.810  7.5582 1945.05   582.912  1878.83   823.831  2011.43   824.894  35.069  10.738 36.551  10.640 -1.481831      15.11639 
1 1 1 3  4  13 o 23.469  7.0827 738.435   360.257  738.435   360.257  0.0000    0.0000   23.469  7.0827 ?       ?      ?              ?        
1 1 1 3  4  14 o 13.061  4.6834 178.455   155.424  178.455   155.424  0.0000    0.0000   13.061  4.6834 ?       ?      ?              ?        
1 1 1 3  4  15 o 18.802  6.3538 490.039   283.836  490.039   283.836  0.0000    0.0000   18.802  6.3538 ?       ?      ?              ?        
1 1 1 3  4  16 o 8.8358  4.0582 -32.0948  163.725  -32.0948  163.725  0.0000    0.0000   8.8358  4.0582 ?       ?      ?              ?        
1 1 1 3  4  17 o 9.4076  4.0058 83.165    132.269  83.165    132.269  0.0000    0.0000   9.4076  4.0058 ?       ?      ?              ?        
1 1 1 3  4  18 o 7.3450  3.5337 -50.6130  152.658  -50.6130  152.658  0.0000    0.0000   7.3450  3.5337 ?       ?      ?              ?        
1 1 1 3  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  5  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  5  5  o 139.274 26.589 27225.30  7581.71  26448.97  10715.83 28003.46  10728.48 136.819 37.872 141.729 37.330 -4.910156      53.17757 
1 1 1 3  5  6  o 67.017  10.897 5016.45   1430.45  5174.35   2024.04  4858.88   2021.88  68.156  15.232 65.877  15.589 2.279747       21.79494 
1 1 1 3  5  7  o 76.649  13.004 6951.25   1968.01  6947.84   2786.94  6954.65   2779.45  76.614  18.416 76.684  18.365 -0.7002258E-01 26.00823 
1 1 1 3  5  8  o 51.252  8.7620 3073.06   890.279  2782.46   1258.10  3364.53   1259.99  48.564  12.780 53.939  11.991 -5.374714      17.52405 
1 1 1 3  5  9  o 48.969  8.7751 2982.12   861.746  2777.42   1215.72  3188.83   1221.69  47.045  12.648 50.893  12.167 -3.847553      17.55013 
1 1 1 3  5  10 o 23.806  4.3420 633.760   214.629  426.318   298.961  854.391   308.318  19.836  6.5166 27.775  5.7400 -7.939114      8.684076 
1 1 1 3  5  11 o 32.356  6.2813 1355.54   420.540  1484.16   594.111  1226.37   595.359  34.101  8.6869 30.611  9.0751 3.489883       12.56260 
1 1 1 3  5  12 o 26.234  5.2199 867.271   286.498  944.061   403.068  788.859   407.303  27.517  7.2300 24.951  7.5312 2.565918       10.43987 
1 1 1 3  5  13 o 22.653  4.9119 693.669   243.866  718.807   344.557  668.437   345.201  23.091  6.9172 22.214  6.9756 0.8772354      9.823757 
1 1 1 3  5  14 o 16.882  3.9632 337.996   156.808  369.503   219.502  305.159   224.088  17.541  5.5691 16.223  5.6404 1.318125       7.926480 
1 1 1 3  5  15 o 14.055  5.0405 235.183   180.039  235.183   180.039  0.0000    0.0000   14.055  5.0405 ?       ?      ?              ?        
1 1 1 3  5  16 o 9.9592  4.4242 69.242    176.380  69.242    176.380  0.0000    0.0000   9.9592  4.4242 ?       ?      ?              ?        
1 1 1 3  5  17 o 10.884  4.8500 154.814   213.649  154.814   213.649  0.0000    0.0000   10.884  4.8500 ?       ?      ?              ?        
1 1 1 3  5  18 o 7.6546  3.7696 -51.3612  204.311  -51.3612  204.311  0.0000    0.0000   7.6546  3.7696 ?       ?      ?              ?        
1 1 1 3  6  0  o 121.835 36.477 19574.56  7742.44  0.0000    0.0000   19574.56  7742.44  121.835 36.477 121.835 36.477 0.000000       0.000000 
1 1 1 3  6  1  o 44.092  6.5868 1957.29   580.846  1957.29   580.846  0.0000    0.0000   44.092  6.5868 ?       ?      ?              ?        
1 1 1 3  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  6  5  o 161.341 44.600 37750.95  14872.50 0.0000    0.0000   37750.95  14872.50 ?       ?      161.341 44.600 ?              ?        
1 1 1 3  6  6  o 113.811 21.982 18486.54  5150.73  17606.49  7278.12  19369.57  7290.37  110.434 31.441 117.188 30.728 -6.753357      43.96321 
1 1 1 3  6  7  o 64.175  10.639 4694.49   1342.62  4434.30   1899.64  4954.20   1897.87  62.222  15.358 66.128  14.728 -3.906445      21.27858 
1 1 1 3  6  8  o 54.505  9.4695 3557.72   1024.85  3603.14   1453.11  3512.76   1445.62  54.876  13.364 54.133  13.419 0.7423058      18.93898 
1 1 1 3  6  9  o 34.900  6.2330 1432.75   437.208  1257.00   618.542  1608.23   618.069  32.574  9.1284 37.226  8.4897 -4.652275      12.46607 
1 1 1 3  6  10 o 39.049  7.2194 1916.75   570.853  1804.29   806.750  2029.52   807.866  37.744  10.369 40.354  10.048 -2.609463      14.43872 
1 1 1 3  6  11 o 38.964  8.0728 2273.34   670.166  2182.56   945.485  2364.99   950.047  38.029  11.473 39.899  11.360 -1.869938      16.14566 
1 1 1 3  6  12 o 31.001  6.5502 1425.68   437.336  1406.14   615.346  1445.63   621.674  30.790  9.2486 31.212  9.2781 -0.4216614     13.10037 
1 1 1 3  6  13 o 22.952  5.0226 732.601   254.314  704.698   359.863  760.440   359.447  22.480  7.1301 23.424  7.0760 -0.9436779     10.04524 
1 1 1 3  6  14 o 29.192  6.7739 1471.42   457.629  1540.84   646.884  1401.86   647.488  30.040  9.5629 28.344  9.5964 1.696043       13.54775 
1 1 1 3  6  15 o 19.361  4.6873 551.122   219.485  504.072   314.158  595.985   306.772  18.547  6.6576 20.176  6.5999 -1.629374      9.374545 
1 1 1 3  6  16 o 15.177  6.3087 529.507   315.885  529.507   315.885  0.0000    0.0000   15.177  6.3087 ?       ?      ?              ?        
1 1 1 3  6  17 o 8.8071  4.1793 -11.8082  198.452  -11.8082  198.452  0.0000    0.0000   8.8071  4.1793 ?       ?      ?              ?        
1 1 1 3  6  18 f 6.7488  3.4034 -198.6724 214.783  -198.6724 214.783  0.0000    0.0000   6.7488  3.4034 ?       ?      ?              ?        
1 1 1 3  7  0  o 102.871 21.755 13900.72  3898.27  13845.40  5512.05  13956.07  5513.92  102.563 30.831 103.178 30.702 -0.000000      0.000000 
1 1 1 3  7  1  o 55.559  7.3296 3193.52   754.264  3097.55   923.439  3385.90   1307.39  55.090  8.3811 56.028  12.027 -0.9376755     14.65910 
1 1 1 3  7  2  o 109.750 27.140 14943.21  5923.88  14943.21  5923.88  0.0000    0.0000   109.750 27.140 ?       ?      ?              ?        
1 1 1 3  7  3  o 128.667 32.660 21292.05  8419.06  21292.05  8419.06  0.0000    0.0000   128.667 32.660 ?       ?      ?              ?        
1 1 1 3  7  4  o 153.813 44.946 37261.44  14694.98 37261.44  14694.98 0.0000    0.0000   153.813 44.946 ?       ?      ?              ?        
1 1 1 3  7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 3  7  6  o 106.355 28.124 15336.77  6073.70  0.0000    0.0000   15336.77  6073.70  ?       ?      106.355 28.124 ?              ?        
1 1 1 3  7  7  o 83.955  16.735 10386.26  2935.18  10914.05  4147.07  9856.48   4154.89  86.675  23.384 81.234  23.945 5.440483       33.46923 
1 1 1 3  7  8  o 24.257  4.3865 635.386   214.228  701.087   303.539  570.182   302.392  25.496  6.0446 23.017  6.3583 2.479208       8.772968 
1 1 1 3  7  9  o 16.478  3.4520 293.850   121.944  281.626   173.656  305.741   171.279  16.184  4.9249 16.773  4.8384 -0.5892830     6.903954 
1 1 1 3  7  10 o 32.727  6.2273 1376.36   421.022  1607.22   598.899  1150.80   591.990  35.762  8.4988 29.691  9.1042 6.070374       12.45454 
1 1 1 3  7  11 o 33.888  6.5897 1516.48   462.567  1365.00   652.408  1669.61   655.943  31.948  9.5064 35.828  9.1282 -3.879278      13.17940 
1 1 1 3  7  12 o 22.194  4.6261 627.981   219.460  605.221   310.626  650.665   310.103  21.772  6.5781 22.616  6.5064 -0.8433151     9.252281 
1 1 1 3  7  13 o 13.649  3.4094 198.471   117.115  232.978   161.538  160.236   170.039  14.422  4.7927 12.877  4.8503 1.544630       6.818742 
1 1 1 3  7  14 o 11.645  3.1521 74.301    114.384  241.758   167.110  -73.3173  156.899  14.557  4.8755 8.7323  3.9966 5.824480       6.304239 
1 1 1 3  7  15 o 10.833  3.2244 63.087    120.739  5.6426    177.853  112.191   164.437  10.135  4.4753 11.531  4.6430 -1.395844      6.448743 
1 1 1 3  7  16 o 11.581  3.4342 112.934   146.380  330.748   213.698  -79.6082  200.919  14.269  5.4224 8.8934  4.2159 5.375541       6.868487 
1 1 1 3  7  17 o 14.537  4.1845 522.216   185.216  391.682   232.264  750.197   306.952  13.029  5.4123 16.044  6.3832 -3.014286      8.368901 
1 1 1 3  7  18 o 6.2890  3.1214 -137.6656 150.169  -137.6656 150.169  0.0000    0.0000   6.2890  3.1214 ?       ?      ?              ?        
1 1 1 3  8  0  o 51.515  10.632 3301.60   951.386  3365.52   1348.53  3238.26   1342.42  52.207  14.902 50.822  15.168 0.000000       0.000000 
1 1 1 3  8  1  o 79.747  10.857 6889.67   1591.68  7060.82   1948.59  6546.51   2759.19  82.768  11.771 76.725  18.247 6.043121       21.71475 
1 1 1 3  8  2  o 162.988 35.876 46469.43  12946.09 45582.68  18307.90 47356.31  18309.17 160.902 50.837 165.074 50.634 -4.171890      71.75106 
1 1 1 3  8  3  o 162.128 52.451 49251.96  19400.71 49251.96  19400.71 0.0000    0.0000   162.128 52.451 ?       ?      ?              ?        
1 1 1 3  8  4  o 96.407  22.470 10685.79  4252.54  10685.79  4252.54  0.0000    0.0000   96.407  22.470 ?       ?      ?              ?        
1 1 1 3  8  5  o 57.518  13.233 3656.30   1490.61  3656.30   1490.61  0.0000    0.0000   57.518  13.233 ?       ?      ?              ?        
1 1 1 3  8  6  o 104.354 28.416 15364.14  6090.42  15364.14  6090.42  0.0000    0.0000   104.354 28.416 ?       ?      ?              ?        
1 1 1 3  8  7  o 65.725  11.811 5556.17   1585.56  4309.05   2242.16  6803.66   2242.48  57.130  17.752 74.321  15.584 -17.19073      23.62176 
1 1 1 3  8  8  o 23.521  3.7149 570.376   163.377  517.999   200.360  674.305   282.235  22.062  4.6856 24.981  5.7659 -2.919382      7.429705 
1 1 1 3  8  9  o 41.079  6.1511 1910.40   472.564  1517.27   579.448  2691.18   816.598  35.375  8.3281 46.784  9.0547 -11.40847      12.30219 
1 1 1 3  8  10 o 26.906  4.2505 787.281   214.854  684.350   264.708  986.023   367.822  24.647  5.5085 29.165  6.4747 -4.517618      8.500953 
1 1 1 3  8  11 o 30.189  5.1440 1145.74   296.363  1140.90   364.984  1155.11   507.757  31.071  6.0912 29.307  8.2910 1.763744       10.28803 
1 1 1 3  8  12 f 28.281  5.1185 1108.75   290.874  1225.29   357.405  880.130   500.581  31.996  5.7986 24.566  8.4365 7.430763       10.23709 
1 1 1 3  8  13 o 27.268  4.7104 1118.80   295.638  1474.98   363.602  423.999   507.835  35.702  5.0922 18.835  7.9259 16.86732       9.420708 
1 1 1 3  8  14 o 16.339  3.6818 320.052   131.651  302.455   163.912  352.039   220.989  15.889  4.7735 16.788  5.6067 -0.8995466     7.363525 
1 1 1 3  8  15 o 19.041  4.1365 572.319   183.294  655.324   225.127  409.099   315.692  22.047  5.1914 16.034  6.4413 6.013174       8.272967 
1 1 1 3  8  16 o 10.028  3.0307 75.018    112.565  139.374   138.272  -51.4404  193.826  10.933  4.3049 9.1238  4.2673 1.809247       6.061487 
1 1 1 3  8  17 o 7.6306  2.6149 -55.6792  123.923  -9.9950   157.660  -129.5302 200.455  7.7647  3.6963 7.4966  3.6998 0.2681489      5.229837 
1 1 1 3  8  18 o 9.4972  3.1700 204.274   157.237  206.597   200.757  200.587   252.896  9.6083  4.4419 9.3862  4.5239 0.2220688      6.340080 
1 1 1 3  9  0  f 125.872 28.408 22552.00  6301.28  22418.00  8911.12  22686.02  8911.59  125.269 40.296 126.475 40.052 -0.000000      0.000000 
1 1 1 3  9  1  o 91.085  9.5175 8688.45   1733.74  8604.77   2451.27  8772.21   2452.49  90.627  13.524 91.544  13.395 -0.9170532     19.03499 
1 1 1 3  9  2  o 144.894 27.862 29695.48  8287.39  29966.66  11719.87 29424.28  11720.40 145.721 39.309 144.066 39.498 1.655731       55.72474 
1 1 1 3  9  3  o 136.730 24.836 24437.95  6827.68  24552.02  9655.11  24323.84  9656.50  137.115 35.068 136.344 35.178 0.7714844      49.67189 
1 1 1 3  9  4  o 72.484  11.997 6014.66   1709.33  6308.28   2417.70  5721.20   2417.02  74.435  16.656 70.534  17.272 3.900757       23.99479 
1 1 1 3  9  5  o 63.800  14.843 4591.21   1858.26  4591.21   1858.26  0.0000    0.0000   63.800  14.843 ?       ?      ?              ?        
1 1 1 3  9  6  o 18.672  5.1005 366.516   195.865  366.516   195.865  0.0000    0.0000   18.672  5.1005 ?       ?      ?              ?        
1 1 1 3  9  7  o 94.932  17.912 17435.37  4699.96  30158.93  6659.17  4806.31   6634.39  135.739 25.465 54.125  25.198 81.61328       35.82441 
1 1 1 3  9  8  o 59.171  12.125 5907.96   1693.80  8373.93   2399.44  3458.55   2391.36  74.329  16.564 44.012  17.712 30.31718       24.25015 
1 1 1 3  9  9  o 47.994  7.1298 2648.52   637.020  2178.83   779.301  3594.34   1105.87  42.413  9.4311 53.576  10.695 -11.16246      14.25951 
1 1 1 3  9  10 o 44.662  7.3312 3295.55   753.496  4315.28   924.884  1282.86   1299.37  60.173  7.6852 29.150  12.487 31.02308       14.66249 
1 1 1 3  9  11 o 42.638  7.8720 2746.43   658.613  2667.03   807.853  2903.80   1137.32  44.358  9.3982 40.917  12.631 3.441521       15.74396 
1 1 1 3  9  12 f 18.864  3.6930 430.942   142.124  451.662   177.879  394.362   236.346  19.751  4.5903 17.976  5.7864 1.774750       7.386073 
1 1 1 3  9  13 o 19.087  3.8036 476.007   163.734  606.476   203.286  235.053   276.262  22.909  4.5967 15.265  6.0613 7.643750       7.607133 
1 1 1 3  9  14 o 24.536  4.2541 952.319   266.132  1351.74   328.109  184.200   455.006  33.610  4.8812 15.462  6.9687 18.14779       8.508181 
1 1 1 3  9  15 o 8.7759  2.6408 -70.5900  83.038   -177.9190 99.561   174.715   150.516  5.4025  2.6548 12.149  4.5659 -6.746843      5.281593 
1 1 1 3  9  16 o 10.362  3.0781 96.070    122.522  223.435   155.863  -109.9256 198.219  12.307  4.6419 8.4170  4.0436 3.890083       6.156167 
1 1 1 3  9  17 o 9.4515  3.0924 101.544   133.447  76.620    166.812  145.849   222.405  8.9700  4.1111 9.9331  4.6207 -0.9631433     6.184838 
1 1 1 3  10 0  o 76.291  15.637 7324.92   2070.43  7268.05   2924.74  7382.04   2931.32  75.877  22.191 76.704  22.036 0.000000       0.000000 
1 1 1 3  10 1  o 76.473  12.195 6430.15   1820.63  6369.59   2571.14  6491.06   2578.41  76.092  17.288 76.855  17.203 -0.7627716     24.38924 
1 1 1 3  10 2  o 82.187  13.483 7687.12   2173.55  7797.58   3071.54  7576.33   3076.20  82.844  18.949 81.529  19.185 1.314987       26.96582 
1 1 1 3  10 3  o 120.465 24.397 22113.06  6182.45  22660.73  8742.27  21565.13  8744.34  122.389 34.325 118.541 34.680 3.847908       48.79474 
1 1 1 3  10 4  o 132.508 32.060 36657.93  10222.12 36877.78  14454.61 36437.97  14457.90 133.066 45.340 131.950 45.338 1.115341       64.11929 
1 1 1 3  10 5  o 81.810  14.349 8274.20   2336.99  8415.18   3305.09  8133.24   3304.92  82.618  20.177 81.002  20.409 1.615791       28.69889 
1 1 1 3  10 6  o 58.043  14.382 4090.69   1661.07  4090.69   1661.07  0.0000    0.0000   58.043  14.382 ?       ?      ?              ?        
1 1 1 3  10 7  o 42.821  7.4804 2166.12   642.761  1782.98   909.946  2547.66   908.060  38.663  11.152 46.979  9.9729 -8.316399      14.96078 
1 1 1 3  10 8  o 32.113  5.4618 1234.07   377.181  1812.38   537.070  671.237   529.832  40.203  6.6794 24.023  8.6436 16.18069       10.92367 
1 1 1 3  10 9  o 41.088  7.0532 2410.92   702.705  828.372   989.968  4018.04   997.626  25.845  10.981 56.330  8.8552 -30.48442      14.10649 
1 1 1 3  10 10 o 16.348  3.2711 307.921   114.360  370.902   140.906  186.368   195.754  18.506  3.9284 14.189  5.2314 4.317791       6.542201 
1 1 1 3  10 11 o 21.998  4.0467 594.669   175.482  623.475   215.688  538.269   301.807  23.312  4.7864 20.685  6.5263 2.626804       8.093390 
1 1 1 3  10 12 o 6.5106  2.1447 -63.9502  64.503   -31.5582  76.017   -147.2430 121.898  6.3149  2.8471 6.7064  3.2083 -0.3914580     4.289410 
1 1 1 3  10 13 o 24.437  3.9674 874.275   239.149  1291.48   293.717  53.657    411.929  34.051  4.3129 14.822  6.6602 19.22851       7.934715 
1 1 1 3  10 14 o 13.055  2.1491 119.233   99.115   436.788   122.653  -478.3869 168.260  20.102  3.0507 6.0084  3.0277 14.09380       4.298146 
1 1 1 3  10 15 o 15.752  3.8900 366.884   146.015  259.913   179.442  576.527   251.206  13.267  4.9855 18.237  5.9726 -4.969390      7.779929 
1 1 1 3  10 16 o 13.834  3.8228 338.328   149.807  321.393   183.517  372.152   259.354  13.904  5.0745 13.765  5.7187 0.1385584      7.645503 
1 1 1 3  10 17 o 10.514  3.3682 202.370   149.309  122.312   192.769  322.418   236.056  9.5078  4.3803 11.520  5.1178 -2.012037      6.736428 
1 1 1 3  11 0  o 55.112  11.512 3847.55   1103.63  3774.01   1558.74  3921.48   1562.81  54.352  16.437 55.872  16.123 0.000000       0.000000 
1 1 1 3  11 1  o 25.225  3.8124 655.846   178.216  634.119   218.229  699.348   308.793  24.695  4.5874 25.755  6.0905 -1.060207      7.624858 
1 1 1 3  11 2  o 34.877  5.8141 1298.01   399.641  1421.86   562.414  1171.70   567.983  36.600  7.9137 33.153  8.5199 3.446716       11.62821 
1 1 1 3  11 3  o 66.007  10.887 4941.12   1410.87  5008.68   1994.19  4873.41   1996.35  66.505  15.310 65.508  15.482 0.9969940      21.77358 
1 1 1 3  11 4  o 65.872  10.973 4980.89   1421.87  4981.50   2010.50  4980.28   2011.16  65.877  15.515 65.866  15.521 0.1116943E-01  21.94642 
1 1 1 3  11 5  o 71.005  13.421 6854.53   1943.17  6950.56   2747.58  6758.42   2748.54  71.614  18.905 70.397  19.056 1.217026       26.84278 
1 1 1 3  11 6  o 29.794  5.2095 976.021   309.743  1090.17   438.692  862.548   437.397  31.580  7.1162 28.008  7.6102 3.572308       10.41900 
1 1 1 3  11 7  o 42.361  11.202 2306.71   963.531  2306.71   963.531  0.0000    0.0000   42.361  11.202 ?       ?      ?              ?        
1 1 1 3  11 8  o 37.419  5.6995 1659.14   488.474  3018.67   696.062  339.910   685.669  52.568  6.6206 22.270  9.2792 30.29764       11.39891 
1 1 1 3  11 9  o 41.909  6.6868 2339.90   691.138  4271.29   980.920  435.857   973.951  59.742  8.2096 24.076  10.557 35.66640       13.37353 
1 1 1 3  11 10 o 24.570  4.8547 747.771   258.590  1006.72   368.799  497.341   362.681  28.812  6.5486 20.327  7.1685 8.485039       9.709335 
1 1 1 3  11 11 o 32.940  5.6796 1550.32   472.273  2719.98   671.597  406.092   664.255  46.041  7.2934 19.839  8.7085 26.20260       11.35919 
1 1 1 3  11 12 o 24.966  4.4912 750.549   215.237  670.214   263.340  912.217   373.572  23.526  5.6646 26.406  6.9712 -2.879564      8.982465 
1 1 1 3  11 13 o 22.231  4.3160 611.704   190.185  563.727   233.693  705.801   327.278  21.460  5.4381 23.001  6.7036 -1.541105      8.631997 
1 1 1 3  11 14 o 20.393  4.2352 534.875   177.534  469.779   219.540  657.882   301.789  19.100  5.4686 21.687  6.4685 -2.586750      8.470345 
1 1 1 3  11 15 o 13.389  3.4617 284.359   140.356  406.783   175.887  69.728    232.889  16.266  4.9578 10.513  4.8326 5.753871       6.923445 
1 1 1 3  11 16 o 8.4226  2.7997 -20.5523  123.788  59.193    164.753  -123.9341 187.587  9.0840  4.1336 7.7612  3.7773 1.322814       5.599477 
1 1 1 3  11 17 o 9.1745  3.0754 218.833   162.683  325.156   203.044  28.203    271.876  10.282  4.6428 8.0668  4.0345 2.215391       6.150844 
1 1 1 3  12 0  o 18.532  4.7148 458.208   160.928  499.358   227.460  416.967   227.714  19.707  6.4980 17.357  6.8332 -0.000000      0.000000 
1 1 1 3  12 1  f 125.879 21.507 22771.34  5190.02  23090.92  6358.42  22133.37  8983.80  135.163 24.420 116.594 35.410 18.56882       43.01369 
1 1 1 3  12 2  o 115.515 24.261 21519.67  6013.20  21510.80  8498.46  21528.57  8509.46  115.514 34.297 115.517 34.324 -0.3082275E-02 48.52199 
1 1 1 3  12 3  o 79.716  14.200 7994.33   2264.69  8369.98   3199.41  7617.11   3206.09  81.926  19.756 77.506  20.404 4.420601       28.40066 
1 1 1 3  12 4  o 24.380  4.3841 637.123   214.300  614.721   302.027  659.835   304.115  23.953  6.2416 24.807  6.1582 -0.8541241     8.768185 
1 1 1 3  12 5  o 50.372  8.8280 3045.90   885.187  3135.53   1251.35  2956.13   1252.34  51.210  12.359 49.533  12.609 1.676914       17.65590 
1 1 1 3  12 6  f 49.796  9.2045 3196.79   926.963  3237.50   1310.91  3156.08   1310.94  50.168  12.970 49.424  13.064 0.7435951      18.40904 
1 1 1 3  12 7  o 37.939  7.2959 1906.24   570.542  2091.23   808.005  1722.28   805.738  40.066  10.089 35.812  10.542 4.253948       14.59177 
1 1 1 3  12 8  o 33.702  6.2430 1521.80   467.477  799.086   662.293  2239.38   659.938  24.948  9.5302 42.457  8.0668 -17.50906      12.48594 
1 1 1 3  12 9  o 21.853  3.7562 514.951   196.556  83.174    279.284  938.713   276.680  14.035  5.8905 29.670  4.6626 -15.63497      7.512471 
1 1 1 3  12 10 o 18.306  3.8690 386.260   161.628  223.158   230.044  545.267   227.138  14.992  5.6426 21.619  5.2951 -6.627429      7.738055 
1 1 1 3  12 11 o 15.194  3.6083 251.041   137.351  385.595   196.571  122.676   191.996  17.926  5.1869 12.462  5.0173 5.463650       7.216512 
1 1 1 3  12 12 o 17.519  4.0873 374.051   169.594  285.418   242.560  458.821   237.215  15.820  5.8248 19.219  5.7354 -3.398763      8.174554 
1 1 1 3  12 13 o 22.139  4.4526 706.104   208.096  761.793   255.832  597.210   357.743  24.496  5.3699 19.782  7.1041 4.714886       8.905276 
1 1 1 3  12 14 o 14.638  3.7900 303.600   139.997  279.179   172.281  351.076   240.213  14.194  4.9450 15.083  5.7448 -0.8887262     7.579975 
1 1 1 3  12 15 o 13.386  3.4763 252.424   121.481  214.668   161.783  301.232   183.942  12.549  4.7302 14.224  5.0955 -1.674304      6.952662 
1 1 1 3  12 16 o 10.995  3.4657 231.936   143.477  135.526   173.293  442.064   255.837  9.5310  4.2977 12.458  5.4381 -2.927009      6.931318 
1 1 1 3  12 17 o 9.4992  3.1721 208.025   151.675  169.175   183.527  291.734   269.395  9.1975  4.2503 9.8010  4.7100 -0.6035357     6.344192 
1 1 1 3  13 0  o 61.274  13.219 4967.39   1415.04  4991.58   2000.17  4943.15   2002.17  61.511  18.633 61.037  18.756 -0.000000      0.000000 
1 1 1 3  13 1  o 18.781  3.1969 379.771   114.802  404.595   141.285  331.531   196.954  19.703  3.7217 17.859  5.1990 1.844316       6.393806 
1 1 1 3  13 2  o 33.630  5.7430 1240.83   382.088  1294.36   539.161  1186.82   541.555  34.394  7.9906 32.867  8.2510 1.527172       11.48597 
1 1 1 3  13 3  o 43.871  7.3999 2177.55   640.297  2127.19   902.094  2228.68   908.978  43.332  10.516 44.410  10.414 -1.077950      14.79989 
1 1 1 3  13 4  o 28.455  5.0084 886.840   286.108  1037.05   402.928  734.087   406.329  30.930  6.7068 25.981  7.4400 4.948851       10.01673 
1 1 1 3  13 5  o 24.908  4.5267 679.787   226.811  700.921   318.577  658.064   322.986  25.309  6.3145 24.508  6.4877 0.8008652      9.053324 
1 1 1 3  13 6  o 19.589  3.8744 428.030   159.311  500.968   224.460  353.990   226.150  21.191  5.3076 17.987  5.6457 3.203745       7.748816 
1 1 1 3  13 7  o 46.938  9.3796 3164.17   919.529  3134.95   1299.25  3193.49   1301.57  46.683  13.282 47.192  13.248 -0.5092888     18.75926 
1 1 1 3  13 8  o 33.396  6.4958 1463.28   449.118  1600.91   636.348  1326.68   633.958  35.174  9.0067 31.618  9.3626 3.555296       12.99150 
1 1 1 3  13 9  o 35.335  7.6395 1994.59   599.796  1683.80   850.104  2302.67   846.386  31.935  10.993 38.735  10.612 -6.800053      15.27898 
1 1 1 3  13 10 o 25.279  4.3313 783.514   264.261  1389.45   376.419  194.637   371.081  34.621  5.4362 15.937  6.7445 18.68391       8.662647 
1 1 1 3  13 11 o 22.008  4.0317 574.941   213.673  130.574   297.062  1051.30   307.569  14.216  6.0262 29.800  5.3575 -15.58429      8.063416 
1 1 1 3  13 12 o 23.966  5.2363 815.509   281.867  656.091   399.850  972.978   397.400  21.449  7.5301 26.482  7.2782 -5.032530      10.47256 
1 1 1 3  13 13 o 10.377  3.0404 64.981    95.913   43.305    114.757  115.210   174.689  9.0926  3.7930 11.661  4.7528 -2.568788      6.080791 
1 1 1 3  13 14 o 7.4562  2.5186 -117.5609 91.560   -156.1071 108.668  -23.2260  170.000  5.8845  2.8663 9.0280  4.1423 -3.143457      5.037290 
1 1 1 3  13 15 o 12.151  3.1750 172.346   139.332  405.991   173.473  -252.3734 233.886  16.169  4.9227 8.1340  4.0111 8.034658       6.349937 
1 1 1 3  13 16 o 10.662  3.4171 201.778   152.757  160.953   192.291  271.615   251.499  10.143  4.5546 11.181  5.0952 -1.037519      6.834135 
1 1 1 3  14 0  o 68.258  22.304 6731.98   2697.24  6731.98   2697.24  0.0000    0.0000   68.258  22.304 68.258  22.304 0.000000       0.000000 
1 1 1 3  14 1  o 70.898  10.563 6031.24   1402.50  5847.71   1718.91  6396.76   2425.81  71.974  11.941 69.821  17.427 2.153015       21.12529 
1 1 1 3  14 2  o 57.276  10.303 4127.23   1183.81  4313.08   1674.93  3941.73   1673.41  58.770  14.370 55.783  14.767 2.986904       20.60512 
1 1 1 3  14 3  o 49.785  8.8905 3044.59   887.189  3271.67   1251.96  2815.54   1257.40  51.925  12.253 47.645  12.885 4.279575       17.78108 
1 1 1 3  14 4  o 48.948  9.0973 3108.40   902.803  3216.44   1273.65  2999.30   1279.89  49.977  12.712 47.920  13.017 2.057026       18.19462 
1 1 1 3  14 5  o 45.826  9.8949 3429.30   994.380  3686.94   1404.04  3170.03   1408.50  48.063  13.850 43.588  14.136 4.474068       19.78970 
1 1 1 3  14 6  o 33.227  6.0776 1313.96   406.971  1326.95   574.598  1300.89   576.494  33.413  8.5601 33.041  8.6298 0.3715134      12.15515 
1 1 1 3  14 7  o 28.735  5.4674 1002.11   321.154  1021.33   454.809  983.001   453.554  29.027  7.7056 28.442  7.7583 0.5842819      10.93474 
1 1 1 3  14 8  o 10.844  2.6899 90.688    82.421   -34.1738  123.399  191.259   110.747  8.3409  3.7032 13.346  3.9024 -5.005362      5.379779 
1 1 1 3  14 9  o 26.437  7.7518 940.063   436.455  940.063   436.455  0.0000    0.0000   26.437  7.7518 ?       ?      ?              ?        
1 1 1 3  14 10 o 13.453  3.4586 189.911   120.352  191.132   172.888  188.763   167.639  13.505  4.9259 13.401  4.8562 0.1042347      6.917168 
1 1 1 3  14 11 o 17.830  4.0065 390.785   171.802  215.430   245.552  558.939   240.457  14.529  5.7317 21.131  5.5997 -6.601589      8.013083 
1 1 1 3  14 12 o 19.208  4.3982 485.694   196.868  368.164   272.867  613.291   284.312  16.998  6.1901 21.418  6.2498 -4.419985      8.796456 
1 1 1 3  14 13 o 15.751  4.1118 321.743   170.878  324.828   252.090  319.121   232.422  15.797  5.9144 15.704  5.7139 0.9281540E-01  8.223664 
1 1 1 3  14 14 f 14.229  3.8312 343.861   150.445  349.318   185.012  333.211   258.483  14.797  5.1262 13.661  5.6951 1.135648       7.662381 
1 1 1 3  14 15 o 7.5984  2.6142 -125.2803 113.353  -184.3269 138.187  -3.8292   198.185  6.2976  3.1011 8.8991  4.2093 -2.601425      5.228312 
1 1 1 3  14 16 o 8.4079  2.8028 11.334    139.581  227.577   176.641  -348.1744 227.758  10.135  4.4685 6.6804  3.3846 3.454980       5.605645 
1 1 1 3  15 0  o 83.276  41.641 21413.94  8466.40  21413.94  8466.40  0.0000    0.0000   83.276  41.641 83.276  41.641 0.000000       0.000000 
1 1 1 3  15 1  o 76.210  13.868 8996.71   2074.73  8942.22   2541.81  9105.48   3591.28  81.387  16.185 71.034  22.524 10.35320       27.73588 
1 1 1 3  15 2  o 54.811  8.3154 3635.57   855.300  3586.17   1047.94  3734.16   1480.26  56.438  9.2840 53.184  13.798 3.253731       16.63075 
1 1 1 3  15 3  o 34.346  6.2577 1421.00   433.903  1553.27   612.429  1287.69   614.840  36.122  8.6007 32.569  9.0919 3.553394       12.51536 
1 1 1 3  15 4  o 36.736  7.0269 1765.65   528.901  1808.79   744.857  1721.77   751.141  37.292  9.8428 36.179  10.031 1.112820       14.05382 
1 1 1 3  15 5  o 27.281  4.9915 849.284   274.486  863.572   385.957  834.661   390.446  27.534  6.9948 27.027  7.1228 0.5068378      9.983081 
1 1 1 3  15 6  o 47.550  12.497 5567.60   1586.00  5594.96   2240.12  5540.10   2245.79  47.745  17.679 47.356  17.668 0.3896942      24.99392 
1 1 1 3  15 7  o 28.373  5.4533 984.855   317.767  941.717   448.097  1028.49   450.695  27.708  7.7712 29.038  7.6526 -1.329964      10.90662 
1 1 1 3  15 8  o 35.038  7.3216 1819.67   549.068  1863.51   775.039  1775.50   777.968  35.570  10.301 34.505  10.407 1.065468       14.64321 
1 1 1 3  15 9  o 30.629  6.7517 1487.07   458.596  1433.72   647.495  1540.77   649.615  29.978  9.5700 31.281  9.5267 -1.303205      13.50343 
1 1 1 3  15 10 o 22.949  4.8099 687.047   245.537  486.001   348.132  886.051   346.359  19.543  7.0091 26.355  6.5887 -6.811975      9.619720 
1 1 1 3  15 11 o 15.732  3.9042 288.751   152.066  283.130   217.342  294.141   212.836  15.630  5.5453 15.834  5.4974 -0.2045259     7.808440 
1 1 1 3  15 12 o 13.112  3.6204 177.418   137.224  205.952   200.865  152.447   187.910  13.656  5.2409 12.567  4.9961 1.089660       7.240705 
1 1 1 3  15 13 o 15.442  3.8739 284.119   174.101  593.295   254.835  13.495    238.417  19.958  5.9420 10.926  4.9719 9.032101       7.747767 
1 1 1 3  15 14 o 11.651  3.5569 142.561   154.865  296.635   231.123  17.023    208.624  13.453  5.4731 9.8489  4.5444 3.604091       7.113822 
1 1 1 3  15 15 o 9.8203  3.2861 169.667   171.136  166.687   253.191  172.174   232.214  9.7991  4.6701 9.8415  4.6244 -0.4235935E-01 6.572298 
1 1 1 3  15 16 o 9.6616  3.2727 267.257   183.867  377.554   252.950  143.691   267.733  10.470  4.8896 8.8534  4.3512 1.616457       6.545300 
1 1 1 3  16 0  o 14.335  5.9510 298.239   169.904  0.0000    0.0000   298.239   169.904  14.335  5.9510 14.335  5.9510 -0.000000      0.000000 
1 1 1 3  16 1  o 40.028  6.4805 2013.47   487.026  2020.64   596.939  1999.19   842.267  41.587  7.4506 38.469  10.605 3.118385       12.96096 
1 1 1 3  16 2  o 36.788  5.8119 1648.59   405.290  1712.88   496.804  1520.68   700.779  39.373  6.3089 34.202  9.7628 5.171513       11.62384 
1 1 1 3  16 3  o 26.771  4.9153 823.075   267.402  699.373   378.109  946.849   378.219  24.677  7.2092 28.865  6.6833 -4.187670      9.830566 
1 1 1 3  16 4  o 47.051  9.9314 3481.03   1006.28  3575.82   1420.45  3385.53   1425.76  47.901  13.967 46.202  14.123 1.698750       19.86280 
1 1 1 3  16 5  o 27.849  5.2173 928.282   296.389  823.306   415.010  1037.56   423.431  26.155  7.5276 29.543  7.2260 -3.388103      10.43457 
1 1 1 3  16 6  o 30.898  5.9610 1207.11   379.574  1298.04   535.084  1115.02   538.531  32.215  8.2644 29.582  8.5927 2.633329       11.92208 
1 1 1 3  16 7  f 37.357  8.1305 2247.70   668.161  2358.12   943.118  2136.44   946.737  38.535  11.422 36.178  11.574 2.357300       16.26097 
1 1 1 3  16 8  o 21.780  4.6617 607.891   220.461  601.504   310.374  614.396   313.204  21.674  6.5814 21.886  6.6037 -0.2119942     9.323326 
1 1 1 3  16 9  o 23.644  5.1750 790.957   270.323  734.012   379.947  849.332   384.686  22.734  7.3386 24.554  7.2984 -1.819670      10.34996 
1 1 1 3  16 10 o 18.588  4.1613 429.847   173.493  440.761   243.227  418.542   247.542  18.822  5.8464 18.353  5.9234 0.4693832      8.322664 
1 1 1 3  16 11 o 19.157  3.0783 352.167   166.931  939.970   241.309  -187.2768 231.170  28.804  4.1888 9.5096  4.5121 19.29472       6.156660 
1 1 1 3  16 12 o 20.814  4.9353 644.062   244.790  753.452   350.407  539.789   342.114  22.495  7.0222 19.132  6.9367 3.362204       9.870660 
1 1 1 3  16 13 o 12.619  3.7865 255.658   169.409  377.647   246.049  145.705   233.597  14.088  5.6770 11.150  5.0122 2.937714       7.573058 
1 1 1 3  16 14 o 12.988  3.7772 249.378   181.349  546.389   255.874  -50.4009  257.063  16.399  5.9909 9.5772  4.6021 6.822219       7.554472 
1 1 1 3  16 15 o 8.6332  2.9614 -33.4562  159.109  -16.5271  232.955  -48.2590  217.834  8.8112  4.2699 8.4552  4.1047 0.3560095      5.922892 
1 1 1 3  17 0  o 59.454  23.771 6832.88   2740.52  6832.88   2740.52  0.0000    0.0000   59.454  23.771 59.454  23.771 0.000000       0.000000 
1 1 1 3  17 1  o 46.330  7.3100 2723.34   642.074  2836.48   787.032  2498.18   1110.26  50.094  7.8556 42.566  12.330 7.528046       14.61999 
1 1 1 3  17 2  o 40.926  8.1792 2384.57   699.179  2376.09   989.448  2393.03   988.131  40.830  11.582 41.022  11.552 -0.1922073     16.35830 
1 1 1 3  17 3  o 27.396  5.2747 926.160   296.919  896.901   421.357  955.020   418.471  26.915  7.5312 27.876  7.3872 -0.9606457     10.54937 
1 1 1 3  17 4  o 15.812  3.3661 272.244   115.713  302.713   162.032  240.533   165.302  16.589  4.6802 15.035  4.8392 1.554303       6.732193 
1 1 1 3  17 5  o 17.939  3.7444 355.004   144.661  294.664   200.345  420.733   209.099  16.510  5.3289 19.367  5.2615 -2.856916      7.488715 
1 1 1 3  17 6  o 37.048  7.9637 2167.71   642.394  2154.82   905.562  2180.78   911.430  36.951  11.247 37.145  11.278 -0.1930962     15.92736 
1 1 1 3  17 7  o 19.020  4.1632 440.431   175.562  388.322   248.791  492.115   247.777  17.970  5.9467 20.070  5.8281 -2.099897      8.326461 
1 1 1 3  17 8  f 17.197  3.8966 343.558   161.698  513.854   231.486  181.288   225.966  20.474  5.5251 13.919  5.4960 6.554799       7.793171 
1 1 1 3  17 9  o 19.046  4.2026 459.333   181.338  563.599   255.695  353.827   257.213  21.102  5.8534 16.990  6.0320 4.112324       8.405191 
1 1 1 3  17 10 o 24.382  5.3940 855.481   292.587  890.592   410.632  819.271   417.003  24.980  7.5668 23.784  7.6893 1.195919       10.78802 
1 1 1 3  17 11 o 25.855  5.2232 1068.72   348.044  1791.05   495.294  364.122   489.179  34.849  7.3381 16.861  7.4350 17.98788       10.44640 
1 1 1 3  17 12 o 17.760  4.4181 498.121   202.638  632.672   282.479  355.474   290.853  20.106  6.3096 15.414  6.1860 4.692208       8.836170 
1 1 1 3  17 13 o 12.592  3.5374 146.018   158.635  441.622   224.488  -148.8248 224.199  16.341  5.6475 8.8423  4.2612 7.498769       7.074737 
1 1 1 3  17 14 o 10.805  3.5261 220.033   182.736  362.312   255.443  70.903    261.521  12.045  5.3389 9.5648  4.6076 2.480639       7.052213 
1 1 1 3  17 15 o 9.7545  3.4121 519.571   246.229  491.361   350.532  547.050   345.955  9.6205  4.7738 9.8885  4.8766 -0.2679710     6.824259 
1 1 1 3  18 0  o 12.693  5.8694 244.659   164.357  244.659   164.357  0.0000    0.0000   12.693  5.8694 12.693  5.8694 0.000000       0.000000 
1 1 1 3  18 1  o 21.928  3.6849 537.230   152.945  539.864   187.524  531.996   264.329  22.278  4.3649 21.578  5.9381 0.6995106      7.369707 
1 1 1 3  18 2  o 17.152  3.1637 332.553   107.147  359.142   131.512  280.059   184.787  18.243  3.7302 16.060  5.1109 2.183250       6.327428 
1 1 1 3  18 3  o 34.476  6.7108 1578.87   478.543  1467.14   677.886  1689.86   675.644  33.055  9.6518 35.897  9.3263 -2.841953      13.42152 
1 1 1 3  18 4  o 25.658  5.0811 821.189   272.437  911.785   385.620  730.909   384.949  27.167  7.0399 24.150  7.3288 3.016100       10.16223 
1 1 1 3  18 5  o 14.109  3.3203 208.688   109.701  182.576   150.011  238.706   160.836  13.375  4.6169 14.843  4.7730 -1.467743      6.640550 
1 1 1 3  18 6  o 29.656  6.3928 1341.82   414.519  1256.21   584.120  1428.67   588.340  28.546  9.0871 30.767  8.9941 -2.220804      12.78552 
1 1 1 3  18 7  o 22.188  4.7717 650.968   231.051  607.510   325.927  694.872   327.591  21.420  6.7847 22.956  6.7115 -1.536652      9.543347 
1 1 1 3  18 8  o 16.753  3.7870 311.321   156.708  501.786   223.019  125.568   220.243  20.450  5.3803 13.057  5.3309 7.392253       7.574048 
1 1 1 3  18 9  o 26.081  5.7654 1016.23   334.712  1094.08   477.074  940.764   469.722  27.147  8.1410 25.016  8.1659 2.130253       11.53076 
1 1 1 3  18 10 o 8.6240  2.8043 -70.2719  110.944  -73.4539  160.630  -67.3693  153.416  8.6925  4.0024 8.5554  3.9290 0.1371546      5.608603 
1 1 1 3  18 11 o 11.481  3.3936 83.759    135.766  -28.9481  188.375  205.585   195.848  9.7180  4.4213 13.243  5.1497 -3.525461      6.787262 
1 1 1 3  18 12 o 11.692  3.5516 185.626   150.209  243.006   216.202  132.085   208.844  12.441  5.1994 10.942  4.8398 1.498668       7.103282 
1 1 1 3  18 13 o 12.240  3.7723 251.141   173.790  288.550   248.272  215.200   243.353  12.670  5.4437 11.810  5.2239 0.8600121      7.544679 
1 1 1 3  18 14 o 11.683  3.7465 330.558   190.518  349.537   252.346  305.398   290.541  12.032  5.3209 11.335  5.2757 0.6966753      7.492961 
1 1 1 3  19 0  o 29.861  10.754 1339.80   588.165  1339.80   588.165  0.0000    0.0000   29.861  10.754 29.861  10.754 0.000000       0.000000 
1 1 1 3  19 1  o 33.930  5.6553 1465.22   362.436  1448.77   443.749  1498.18   628.160  34.902  6.5989 32.958  9.1860 1.943275       11.31053 
1 1 1 3  19 2  o 33.983  5.7920 1527.84   375.121  1532.18   459.401  1519.17   649.802  35.567  6.7042 32.399  9.4468 3.167564       11.58394 
1 1 1 3  19 3  o 17.780  3.6634 356.619   139.725  291.276   196.389  423.599   198.834  16.256  5.2788 19.304  5.0808 -3.047667      7.326711 
1 1 1 3  19 4  f 9.8003  2.4532 42.781    74.926   -109.2120 107.863  184.505   104.156  6.6272  3.1257 12.973  3.7820 -6.346146      4.906434 
1 1 1 3  19 5  o 23.445  4.8781 716.958   245.622  629.933   346.168  805.194   348.569  21.934  6.9969 24.956  6.7989 -3.022337      9.756126 
1 1 1 3  19 6  o 8.6026  2.5947 -14.3607  83.359   79.447    121.003  -99.0931  115.001  10.215  4.0256 6.9900  3.2749 3.225347       5.189400 
1 1 1 3  19 7  o 32.280  7.3442 1799.97   540.714  1656.35   762.241  1945.44   767.152  30.692  10.412 33.868  10.360 -3.175764      14.68844 
1 1 1 3  19 8  o 22.974  4.8497 703.412   250.378  904.062   348.527  489.426   359.923  26.490  6.6020 19.458  7.1058 7.031775       9.699443 
1 1 1 3  19 9  o 22.259  5.2256 766.657   273.810  858.588   387.072  674.580   387.379  23.685  7.3783 20.834  7.4019 2.851072       10.45121 
1 1 1 3  19 10 o 11.453  3.2756 107.537   116.232  120.749   168.258  95.476    160.752  11.746  4.7082 11.161  4.5552 0.5847769      6.551126 
1 1 1 3  19 11 o 14.268  4.0519 322.284   184.167  465.318   260.322  178.966   260.580  16.260  6.0254 12.277  5.4192 3.983336       8.103880 
1 1 1 3  19 12 o 14.990  3.4384 376.965   154.420  7.6364    263.128  570.987   190.716  10.276  4.8575 19.704  4.8679 -9.428021      6.876879 
1 1 1 3  19 13 o 8.8124  2.9098 -21.2342  129.709  -222.5996 171.110  250.796   198.880  6.5962  3.2834 11.029  4.8050 -4.432501      5.819649 
1 1 1 3  19 14 o 7.8120  2.7386 19.815    161.854  83.804    227.893  -45.3138  229.913  8.1282  3.9987 7.4957  3.7431 0.6324658      5.477223 
1 1 1 3  20 0  o 33.223  12.765 1885.29   802.542  1885.29   802.542  0.0000    0.0000   33.223  12.765 33.223  12.765 0.000000       0.000000 
1 1 1 3  20 1  o 22.707  4.6611 649.876   224.649  696.963   316.934  602.330   318.475  23.580  6.5076 21.834  6.6747 1.745384       9.322108 
1 1 1 3  20 2  o 16.099  3.2006 308.310   105.321  340.980   125.480  230.424   193.746  17.564  3.6894 14.633  5.2309 2.930549       6.401132 
1 1 1 3  20 3  o 19.730  4.2215 479.126   181.260  512.956   254.538  444.321   258.183  20.431  5.8996 19.030  6.0397 1.401711       8.442960 
1 1 1 3  20 4  o 30.139  6.6567 1446.31   445.228  1453.95   630.495  1438.70   628.805  30.222  9.4171 30.055  9.4109 0.1663513      13.31337 
1 1 1 3  20 5  o 18.324  4.0884 419.553   170.195  334.415   240.782  504.565   240.603  16.608  5.8426 20.040  5.7206 -3.431599      8.176838 
1 1 1 3  20 6  o 16.786  3.8251 337.097   147.908  276.665   214.713  391.672   204.043  15.552  5.5123 18.021  5.3048 -2.469522      7.650259 
1 1 1 3  20 7  o 8.8051  2.6792 -25.1530  93.010   -155.4580 139.393  79.419    124.873  7.2860  3.4704 10.324  4.0828 -3.038173      5.358393 
1 1 1 3  20 8  o 10.998  3.2032 79.881    114.808  39.234    165.686  117.424   159.232  10.388  4.4547 11.607  4.6040 -1.219295      6.406350 
1 1 1 3  20 9  o 10.799  3.1990 75.080    115.265  70.905    152.617  80.624    175.863  10.494  4.3755 11.104  4.6679 -0.6095266     6.398018 
1 1 1 3  20 10 o 9.4981  3.0179 1.6043    116.619  3.2834    189.478  0.5803    147.964  9.9688  4.4946 9.0275  4.0285 0.9413404      6.035768 
1 1 1 3  20 11 o 13.305  3.8825 233.772   177.312  418.189   254.355  59.436    247.306  15.627  5.9212 10.983  5.0233 4.644266       7.764920 
1 1 1 3  20 12 o 9.9583  3.3107 64.893    168.539  148.129   246.291  -8.4113   231.130  10.652  4.9230 9.2641  4.4280 1.388338       6.621428 
1 1 1 3  20 13 o 10.491  3.4593 165.114   177.338  407.496   271.826  -14.4917  233.992  12.209  5.4533 8.7722  4.2576 3.436724       6.918517 
1 1 1 3  21 0  o 8.3525  4.7926 99.013    127.337  99.013    127.337  0.0000    0.0000   8.3525  4.7926 8.3525  4.7926 0.000000       0.000000 
1 1 1 3  21 1  o 5.1733  1.7142 -73.5795  46.919   -22.6933  59.631   -156.2834 76.021   5.6845  2.5456 4.6621  2.2966 1.022477       3.428430 
1 1 1 3  21 2  o 17.936  3.9050 391.683   155.127  447.678   218.576  334.854   220.198  19.152  5.4473 16.720  5.5966 2.432161       7.809951 
1 1 1 3  21 3  o 11.066  2.9413 99.988    95.351   184.310   128.692  -2.6458   141.979  12.906  4.2772 9.2260  4.0386 3.680058       5.882568 
1 1 1 3  21 4  o 14.651  3.5216 235.760   124.321  191.036   173.612  282.831   178.108  13.604  4.9401 15.698  5.0201 -2.093268      7.043146 
1 1 1 3  21 5  o 15.730  3.7665 292.146   141.421  265.731   201.084  317.999   198.934  15.175  5.3392 16.285  5.3141 -1.110404      7.533046 
1 1 1 3  21 6  o 21.083  4.6247 586.956   217.721  492.358   307.043  682.624   308.772  19.374  6.6081 22.791  6.4717 -3.416725      9.249323 
1 1 1 3  21 7  o 10.997  3.0990 79.546    108.764  -22.5049  153.441  182.602   154.194  9.1430  4.0896 12.851  4.6573 -3.707906      6.198013 
1 1 1 3  21 8  o 11.201  3.2560 67.783    123.268  195.292   179.927  -45.0030  169.221  13.191  4.9845 9.2106  4.1904 3.980816       6.511935 
1 1 1 3  21 9  o 13.506  3.7772 236.194   155.273  144.005   221.332  325.537   217.888  12.060  5.1596 14.951  5.5180 -2.891303      7.554482 
1 1 1 3  21 10 o 14.072  4.0178 348.731   178.220  410.560   241.240  274.440   264.437  15.136  5.7590 13.009  5.6040 2.126657       8.035609 
1 1 1 3  21 11 o 10.606  3.3659 114.165   147.583  91.534    234.133  129.086   190.107  10.556  4.8501 10.655  4.6684 -0.9850502E-01 6.731785 
1 1 1 3  21 12 o 12.480  4.2713 899.142   328.271  741.250   464.596  1056.56   463.896  11.751  5.7663 13.210  6.3027 -1.459362      8.542541 
1 1 1 3  21 13 o 8.9602  3.0832 55.656    138.889  547.323   278.115  -107.7039 160.311  11.286  5.2213 6.6344  3.2807 4.651589       6.166433 
1 1 1 3  22 0  o 18.163  7.4957 511.886   270.011  511.886   270.011  0.0000    0.0000   18.163  7.4957 18.163  7.4957 0.000000       0.000000 
1 1 1 3  22 1  o 29.625  6.5119 1380.20   427.888  1283.73   604.570  1477.03   605.681  28.385  9.2641 30.866  9.1541 -2.481453      13.02385 
1 1 1 3  22 2  o 23.564  4.2660 684.474   192.833  633.037   234.828  790.976   337.899  22.862  5.2469 24.266  6.7281 -1.403444      8.532100 
1 1 1 3  22 3  o 16.718  3.7628 331.670   146.928  439.658   206.762  221.513   208.829  19.035  5.2574 14.400  5.3847 4.634883       7.525618 
1 1 1 3  22 4  o 17.532  3.9909 370.554   162.285  459.388   228.939  280.836   230.077  19.348  5.5975 15.716  5.6901 3.631742       7.981799 
1 1 1 3  22 5  o 17.714  4.0175 381.448   166.328  498.522   236.023  265.951   234.430  20.033  5.6476 15.395  5.7153 4.637219       8.034968 
1 1 1 3  22 6  o 13.932  3.4688 207.988   131.641  56.021    186.272  359.616   186.064  10.976  4.7156 16.888  5.0885 -5.911967      6.937609 
1 1 1 3  22 7  o 11.463  3.0994 75.058    114.083  -98.1003  158.941  259.069   163.846  8.3464  3.8905 14.580  4.8259 -6.233884      6.198824 
1 1 1 3  22 8  o 11.617  3.4441 128.557   135.919  185.747   195.538  75.092    189.063  12.487  5.0508 10.747  4.6835 1.740163       6.888100 
1 1 1 3  22 9  o 9.8402  3.0215 46.996    122.801  193.044   163.447  -142.3011 186.080  11.717  4.6592 7.9629  3.8484 3.754606       6.043054 
1 1 1 3  22 10 o 7.8990  2.7233 -177.9214 139.270  -160.8428 202.639  -193.2108 191.730  8.1137  3.9435 7.6843  3.7569 0.4293842      5.446630 
1 1 1 3  22 11 o 10.113  3.3710 183.815   177.765  124.173   253.199  241.789   249.634  9.6532  4.6196 10.572  4.9105 -0.9190636     6.741956 
1 1 1 3  22 12 o 7.0685  2.5046 -158.7262 151.853  -103.4116 198.254  -237.2413 236.199  7.1556  3.5574 6.9814  3.5265 0.1742525      5.009106 
1 1 1 3  23 0  o 8.0580  4.7038 88.831    125.969  88.831    125.969  0.0000    0.0000   8.0580  4.7038 8.0580  4.7038 0.000000       0.000000 
1 1 1 3  23 1  o 15.027  3.5826 250.462   132.144  153.411   182.556  357.286   191.527  12.820  4.9755 17.233  5.1560 -4.413584      7.165200 
1 1 1 3  23 2  o 28.282  6.3484 1301.68   403.387  1298.62   569.740  1304.76   571.214  28.255  8.9725 28.310  8.9835 -0.5540657E-01 12.69678 
1 1 1 3  23 3  f 27.977  6.2606 1259.11   394.380  1361.36   556.807  1156.18   558.674  29.360  8.7928 26.593  8.9145 2.767431       12.52123 
1 1 1 3  23 4  o 7.9094  2.5540 -56.8406  90.544   -23.3485  127.473  -90.9441  128.631  8.3386  3.7288 7.4802  3.4911 0.8583984      5.108021 
1 1 1 3  23 5  o 15.753  3.6009 292.846   149.237  498.234   205.658  64.394    216.898  19.859  5.1386 11.646  5.0459 8.213314       7.201853 
1 1 1 3  23 6  o 11.212  3.1057 72.454    113.435  -80.8643  160.890  223.999   159.957  8.6182  3.9815 13.806  4.7674 -5.188047      6.211312 
1 1 1 3  23 7  o 15.481  3.9174 322.114   168.087  130.510   236.812  516.655   238.620  12.218  5.2832 18.744  5.7856 -6.525463      7.834883 
1 1 1 3  23 8  o 6.7886  2.3830 -303.9550 124.656  -189.9813 172.824  -427.5537 179.974  7.3500  3.5878 6.2272  3.1372 1.122790       4.765905 
1 1 1 3  23 9  o 11.248  3.4799 150.530   153.516  40.549    219.995  254.913   214.324  9.9831  4.6274 12.514  5.1987 -2.530869      6.959856 
1 1 1 3  23 10 o 10.720  3.4566 201.881   162.787  137.714   217.782  283.125   245.054  10.011  4.6276 11.428  5.1358 -1.416690      6.913158 
1 1 1 3  23 11 o 10.310  3.4574 229.352   191.953  299.877   272.968  160.361   269.983  10.809  5.0581 9.8106  4.7148 0.9982033      6.914725 
1 1 1 3  24 0  o 5.0670  3.4423 -47.2533  105.481  -47.2533  105.481  0.0000    0.0000   5.0670  3.4423 5.0670  3.4423 0.000000       0.000000 
1 1 1 3  24 1  o 17.699  4.1522 414.573   173.139  349.562   244.100  480.397   245.620  16.432  5.8717 18.966  5.8725 -2.533701      8.304372 
1 1 1 3  24 2  o 22.440  5.0867 760.916   258.592  780.506   364.228  741.005   367.199  22.787  7.1669 22.093  7.2204 0.6931553      10.17339 
1 1 1 3  24 3  o 9.5279  2.7828 14.694    95.216   -112.6327 134.507  142.587   134.805  7.4131  3.4945 11.643  4.3317 -4.229692      5.565538 
1 1 1 3  24 4  o 14.270  3.6598 233.698   138.576  312.426   193.362  150.565   198.699  15.836  5.2427 12.705  5.1080 3.131055       7.319633 
1 1 1 3  24 5  o 10.586  3.1833 88.347    119.354  131.905   164.361  39.753    173.602  11.226  4.5967 9.9453  4.4050 1.280791       6.366634 
1 1 1 3  24 6  o 14.882  4.0899 371.277   179.553  460.071   247.508  272.635   260.872  16.377  5.9059 13.386  5.6594 2.990853       8.179820 
1 1 1 3  24 7  o 11.119  3.3882 124.673   137.546  85.248    194.754  163.908   194.285  10.577  4.6762 11.661  4.9044 -1.083651      6.776420 
1 1 1 3  24 8  o 9.5576  3.0509 3.3912    131.499  -162.9079 184.215  176.173   187.771  7.7368  3.7603 11.378  4.8055 -3.641647      6.101819 
1 1 1 3  24 9  o 10.327  3.2912 119.758   143.029  -26.0211  183.927  342.775   227.493  8.2906  3.9592 12.363  5.2585 -4.072192      6.582304 
1 1 1 3  24 10 o 11.051  3.5452 209.846   185.647  526.273   263.225  -103.3273 261.868  13.625  5.7185 8.4768  4.1920 5.148560       7.090476 
1 1 1 3  24 11 o 9.6825  3.2460 225.310   169.934  344.964   242.867  110.541   237.857  10.558  4.8826 8.8069  4.2786 1.751038       6.492042 
1 1 1 3  25 0  o 17.682  7.9910 560.183   303.917  0.0000    0.0000   560.183   303.917  17.682  7.9910 17.682  7.9910 -0.000000      0.000000 
1 1 1 3  25 1  o 22.829  5.5068 924.735   309.941  732.248   438.038  1117.72   438.609  20.139  7.7369 25.519  7.8385 -5.380384      11.01366 
1 1 1 3  25 2  o 14.026  3.7358 268.695   142.187  255.410   191.968  284.842   211.632  13.772  5.1602 14.280  5.4034 -0.5079508     7.471570 
1 1 1 3  25 3  o 15.299  4.0112 341.382   165.314  393.002   227.379  283.500   240.775  16.300  5.6808 14.299  5.6646 2.000354       8.022483 
1 1 1 3  25 4  o 20.244  5.8368 1158.68   372.831  1165.77   524.602  1151.45   529.964  20.373  8.2615 20.116  8.2475 0.2573795      11.67363 
1 1 1 3  25 5  o 9.6874  3.0744 54.538    124.556  94.558    174.548  13.015    177.795  10.168  4.4637 9.2067  4.2287 0.9615412      6.148705 
1 1 1 3  25 6  o 15.709  4.3909 459.187   206.468  362.517   286.496  563.644   297.812  14.359  5.9916 17.059  6.4202 -2.700243      8.781744 
1 1 1 3  25 7  o 9.7519  3.1577 49.206    139.700  87.426    187.072  1.0212    210.049  10.069  4.5088 9.4349  4.4221 0.6338205      6.315392 
1 1 1 3  25 8  o 12.187  3.8138 393.037   183.750  370.566   258.871  415.856   260.864  11.954  5.3319 12.421  5.4546 -0.4667511     7.627691 
1 1 1 3  25 9  o 11.430  3.6561 303.318   189.333  509.141   264.611  87.409    271.017  13.315  5.6675 9.5443  4.6204 3.770500       7.312251 
1 1 1 3  25 10 o 7.5648  2.6607 -95.9779  157.716  -91.3071  222.206  -100.7199 223.893  7.5797  3.7679 7.5499  3.7578 0.2978325E-01  5.321460 
1 1 1 3  26 0  o 8.8219  5.3528 143.007   175.349  143.007   175.349  0.0000    0.0000   8.8219  5.3528 8.8219  5.3528 0.000000       0.000000 
1 1 1 3  26 1  o 12.154  3.4753 225.468   131.544  246.622   178.517  200.335   194.584  12.570  4.9085 11.738  4.9210 0.8316450      6.950568 
1 1 1 3  26 2  o 9.4500  2.9128 64.523    104.489  14.447    144.398  119.565   151.390  8.6070  3.8982 10.293  4.3292 -1.685994      5.825636 
1 1 1 3  26 3  o 9.6223  2.9532 52.896    105.327  -1.2426   139.307  125.149   160.934  8.4803  3.8359 10.764  4.4911 -2.283943      5.906301 
1 1 1 3  26 4  o 10.542  3.2336 94.715    126.531  59.526    175.215  133.067   182.918  9.9777  4.4221 11.105  4.7192 -1.127544      6.467291 
1 1 1 3  26 5  o 11.289  3.3160 123.705   140.230  330.087   194.818  -98.1916  202.008  14.016  5.2088 8.5618  4.1049 5.454308       6.631905 
1 1 1 3  26 6  o 11.285  3.5629 220.566   163.555  194.700   224.114  250.038   239.230  10.991  4.9274 11.579  5.1477 -0.5883789     7.125886 
1 1 1 3  26 7  o 7.9633  2.7529 -62.4922  144.005  -121.7632 195.150  8.3657    213.374  7.4510  3.6722 8.4755  4.1022 -1.024521      5.505754 
1 1 1 3  26 8  o 10.562  3.5148 294.836   192.934  347.305   261.886  232.557   285.319  11.055  5.0976 10.068  4.8405 0.9871578      7.029699 
1 1 1 3  26 9  o 8.2614  2.8575 23.157    157.313  -67.8902  219.932  118.538   225.107  7.6918  3.8106 8.8310  4.2593 -1.139215      5.715080 
1 1 1 3  27 0  o 13.996  7.6899 500.170   310.439  500.170   310.439  0.0000    0.0000   13.996  7.6899 13.996  7.6899 0.000000       0.000000 
1 1 1 3  27 1  o 10.477  3.2129 112.630   127.816  33.401    185.712  183.936   176.182  9.4918  4.3456 11.461  4.7335 -1.969581      6.425774 
1 1 1 3  27 2  o 11.821  3.4708 203.436   135.056  183.796   188.464  224.168   193.637  11.503  4.8339 12.138  4.9820 -0.6345377     6.941689 
1 1 1 3  27 3  o 11.073  4.7711 164.403   191.751  0.0000    0.0000   164.403   191.751  ?       ?      11.073  4.7711 ?              ?        
1 1 1 3  27 4  o 10.843  4.8297 185.846   211.620  0.0000    0.0000   185.846   211.620  ?       ?      10.843  4.8297 ?              ?        
1 1 1 3  27 5  o 8.2525  2.8237 -34.8820  141.735  86.999    208.929  -138.7962 192.916  9.1292  4.3193 7.3758  3.6382 1.753406       5.647383 
1 1 1 3  27 6  o 11.791  3.7495 321.398   188.723  179.466   262.248  473.858   271.799  10.404  4.8969 13.178  5.6793 -2.774229      7.498934 
1 1 1 3  27 7  o 9.9885  3.3007 271.751   184.385  642.882   251.329  -160.8234 271.338  12.609  5.4474 7.3684  3.7288 5.240176       6.601351 
1 1 1 3  28 0  o 8.1747  5.3577 130.405   218.472  0.0000    0.0000   130.405   218.472  8.1747  5.3577 8.1747  5.3577 -0.000000      0.000000 
1 1 1 3  28 1  o 9.5137  3.0676 100.582   134.583  -23.9299  196.972  209.609   184.317  8.3388  4.0124 10.689  4.6414 -2.349926      6.135266 
1 1 1 3  28 2  o 9.6585  2.9379 108.792   118.871  294.378   161.148  -112.7267 176.059  12.066  4.6769 7.2515  3.5567 4.814001       5.875717 
1 1 1 3  28 3  o 8.3874  2.7799 37.185    115.889  8.6341    153.154  75.432    177.259  7.9275  3.7345 8.8473  4.1188 -0.9198041     5.559804 
1 1 1 3  28 4  o 10.155  3.3252 147.474   158.308  66.880    210.021  253.513   240.905  9.2620  4.3663 11.048  5.0162 -1.786203      6.650309 
1 1 1 3  28 5  o 8.1526  2.8001 41.357    143.174  -45.7984  196.763  139.429   208.723  7.4967  3.6933 8.8085  4.2096 -1.311793      5.600119 
1 1 1 3  28 6  o 7.1344  2.5185 -146.1282 146.264  -159.4325 200.513  -130.9989 213.825  6.9928  3.4925 7.2761  3.6296 -0.2833018     5.037019 
1 1 1 3  29 0  o 5.4775  3.9285 -156.2359 203.384  -156.2359 203.384  0.0000    0.0000   5.4775  3.9285 5.4775  3.9285 0.000000       0.000000 
1 1 1 3  29 1  o 9.4246  3.1177 179.529   146.882  205.118   203.947  151.953   211.716  9.6752  4.4743 9.1741  4.3428 0.5011053      6.235325 
1 1 1 3  29 2  o 7.7219  2.5953 14.642    116.130  170.778   157.284  -172.4911 172.191  9.0408  4.0839 6.4030  3.2037 2.637817       5.190547 
1 1 1 3  29 3  o 8.7651  2.9421 159.368   137.492  108.989   182.052  226.254   209.766  8.3003  3.9570 9.2299  4.3550 -0.9295492     5.884140 
1 1 1 3  29 4  o 8.4613  4.0811 72.515    206.714  0.0000    0.0000   72.515    206.714  ?       ?      8.4613  4.0811 ?              ?        
1 1 1 4  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  1  2  o 177.135 30.104 37768.74  10535.16 38741.60  14900.86 36796.38  14897.08 179.748 42.176 174.522 42.967 5.225479       60.20732 
1 1 1 4  1  3  o 162.080 25.057 33643.27  7646.81  29449.70  13243.57 35740.57  9365.78  145.788 42.688 178.372 26.253 -32.58377      50.11470 
1 1 1 4  1  4  o 97.146  14.352 11234.71  2583.50  8090.72   4471.66  12809.96  3165.22  83.466  24.900 110.826 14.280 -27.35957      28.70428 
1 1 1 4  1  5  o 98.475  10.217 10156.54  2012.01  10297.56  2844.81  10015.40  2846.02  99.192  14.340 97.757  14.557 1.434647       20.43350 
1 1 1 4  1  6  o 113.129 11.768 13497.29  2662.67  13515.70  3764.62  13478.85  3766.55  113.212 16.626 113.046 16.659 0.1660309      23.53663 
1 1 1 4  1  7  o 61.263  6.4681 3872.72   792.377  3794.53   1120.34  3950.97   1120.84  60.625  9.2400 61.901  9.0535 -1.275879      12.93613 
1 1 1 4  1  8  o 114.491 15.241 16988.75  3361.75  17245.79  4754.69  16731.81  4753.77  115.627 21.347 113.354 21.760 2.272659       30.48239 
1 1 1 4  1  9  o 46.236  7.2344 2262.68   668.982  2262.68   668.982  0.0000    0.0000   46.236  7.2344 ?       ?      ?              ?        
1 1 1 4  1  10 o 41.945  7.6595 2076.04   618.882  2076.04   618.882  0.0000    0.0000   41.945  7.6595 ?       ?      ?              ?        
1 1 1 4  1  11 o 23.430  4.7813 607.390   216.471  607.390   216.471  0.0000    0.0000   23.430  4.7813 ?       ?      ?              ?        
1 1 1 4  1  12 o 25.904  5.2037 767.336   260.234  767.336   260.234  0.0000    0.0000   25.904  5.2037 ?       ?      ?              ?        
1 1 1 4  1  13 o 16.384  4.2057 304.342   138.515  304.342   138.515  0.0000    0.0000   16.384  4.2057 ?       ?      ?              ?        
1 1 1 4  1  14 o 24.318  5.3440 718.959   252.812  718.959   252.812  0.0000    0.0000   24.318  5.3440 ?       ?      ?              ?        
1 1 1 4  1  15 o 12.318  4.2883 169.257   129.553  169.257   129.553  0.0000    0.0000   12.318  4.2883 ?       ?      ?              ?        
1 1 1 4  1  16 o 10.364  4.0883 104.218   124.926  104.218   124.926  0.0000    0.0000   10.364  4.0883 ?       ?      ?              ?        
1 1 1 4  1  17 o 11.384  4.6286 178.657   165.182  178.657   165.182  0.0000    0.0000   11.384  4.6286 ?       ?      ?              ?        
1 1 1 4  1  18 o 8.2092  3.8002 28.436    147.672  28.436    147.672  0.0000    0.0000   8.2092  3.8002 ?       ?      ?              ?        
1 1 1 4  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  2  2  o 112.745 18.190 14311.60  4011.09  14146.81  5673.35  14476.30  5671.71  112.033 25.846 113.456 25.603 -1.423370      36.38073 
1 1 1 4  2  3  o 117.473 18.363 17744.58  4205.93  9282.62   7284.10  21976.94  5151.47  90.534  32.104 144.412 17.836 -53.87834      36.72623 
1 1 1 4  2  4  o 147.534 17.524 25856.33  5061.44  26795.51  7161.83  24919.19  7154.08  151.779 23.593 143.288 25.918 8.490646       35.04812 
1 1 1 4  2  5  o 101.751 10.659 10924.93  2167.12  10392.09  3062.19  11459.56  3067.35  99.133  15.445 104.369 14.695 -5.236122      21.31847 
1 1 1 4  2  6  o 56.831  5.8779 3276.37   668.047  3227.81   943.882  3325.11   945.644  56.404  8.3672 57.258  8.2577 -0.8545113     11.75580 
1 1 1 4  2  7  o 86.949  9.3029 8058.01   1616.44  7705.62   2285.51  8410.70   2286.47  84.922  13.456 88.975  12.849 -4.052231      18.60572 
1 1 1 4  2  8  o 50.624  7.7992 3226.23   760.435  3997.79   931.899  1688.64   1315.53  61.961  7.5201 39.288  13.666 22.67297       15.59838 
1 1 1 4  2  9  o 57.974  8.7706 4057.02   951.598  4143.26   1165.34  3884.41   1648.57  61.228  9.5164 54.720  14.735 6.507397       17.54111 
1 1 1 4  2  10 o 20.462  3.5760 457.296   139.672  446.742   171.141  478.344   241.697  20.279  4.3500 20.644  5.6770 -0.3642540     7.151998 
1 1 1 4  2  11 o 17.864  3.9504 345.881   137.389  345.881   137.389  0.0000    0.0000   17.864  3.9504 ?       ?      ?              ?        
1 1 1 4  2  12 o 27.193  5.3544 845.963   280.836  845.963   280.836  0.0000    0.0000   27.193  5.3544 ?       ?      ?              ?        
1 1 1 4  2  13 o 14.190  4.1181 225.960   123.741  225.960   123.741  0.0000    0.0000   14.190  4.1181 ?       ?      ?              ?        
1 1 1 4  2  14 o 28.411  5.9418 1003.79   326.770  1003.79   326.770  0.0000    0.0000   28.411  5.9418 ?       ?      ?              ?        
1 1 1 4  2  15 o 26.850  6.0589 954.570   317.632  954.570   317.632  0.0000    0.0000   26.850  6.0589 ?       ?      ?              ?        
1 1 1 4  2  16 f 12.142  4.5647 175.342   150.463  175.342   150.463  0.0000    0.0000   12.142  4.5647 ?       ?      ?              ?        
1 1 1 4  2  17 o 13.607  5.0472 300.885   182.743  300.885   182.743  0.0000    0.0000   13.607  5.0472 ?       ?      ?              ?        
1 1 1 4  2  18 o 11.438  4.8458 275.084   191.884  275.084   191.884  0.0000    0.0000   11.438  4.8458 ?       ?      ?              ?        
1 1 1 4  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  3  3  o 149.946 26.333 28186.44  7861.66  28269.43  11118.55 28103.47  11117.58 150.204 37.205 149.688 37.277 0.5161591      52.66683 
1 1 1 4  3  4  o 66.235  7.0394 4523.67   932.498  4492.67   1318.43  4554.70   1319.07  66.001  9.9879 66.469  9.9225 -0.4672394     14.07889 
1 1 1 4  3  5  f 99.845  10.515 10520.30  2099.77  10482.93  2970.82  10557.62  2968.23  99.655  14.906 100.034 14.836 -0.3788528     21.03054 
1 1 1 4  3  6  o 116.208 12.258 14544.36  2848.90  14708.91  4028.50  14379.73  4029.40  116.918 17.228 115.499 17.443 1.418320       24.51684 
1 1 1 4  3  7  o 134.388 23.058 27322.91  6178.93  29299.04  7567.02  23368.79  10703.92 153.908 24.583 114.868 39.017 39.04021       46.11593 
1 1 1 4  3  8  o 41.782  5.9109 1880.66   457.752  1883.03   560.039  1875.87   794.530  42.628  6.5688 40.935  9.8289 1.693581       11.82186 
1 1 1 4  3  9  o 56.473  8.3919 3719.64   876.540  3494.31   1073.26  4171.01   1519.00  55.205  10.093 57.741  13.410 -2.536255      16.78384 
1 1 1 4  3  10 o 26.485  4.1290 737.929   203.952  624.492   248.834  970.119   356.003  23.713  5.3714 29.257  6.2725 -5.543730      8.258079 
1 1 1 4  3  11 o 23.635  3.7081 557.412   164.508  406.795   199.308  879.361   291.394  19.126  5.1122 28.145  5.3727 -9.018713      7.416230 
1 1 1 4  3  12 o 30.741  5.9687 1097.33   353.735  1097.33   353.735  0.0000    0.0000   30.741  5.9687 ?       ?      ?              ?        
1 1 1 4  3  13 o 22.149  4.8015 570.353   206.559  570.353   206.559  0.0000    0.0000   22.149  4.8015 ?       ?      ?              ?        
1 1 1 4  3  14 o 17.162  4.4925 340.963   156.007  340.963   156.007  0.0000    0.0000   17.162  4.4925 ?       ?      ?              ?        
1 1 1 4  3  15 o 16.142  4.5908 315.539   155.252  315.539   155.252  0.0000    0.0000   16.142  4.5908 ?       ?      ?              ?        
1 1 1 4  3  16 o 13.881  4.8225 263.480   163.796  263.480   163.796  0.0000    0.0000   13.881  4.8225 ?       ?      ?              ?        
1 1 1 4  3  17 o 11.186  4.6033 171.129   165.861  171.129   165.861  0.0000    0.0000   11.186  4.6033 ?       ?      ?              ?        
1 1 1 4  3  18 o 13.170  5.3775 452.030   224.148  452.030   224.148  0.0000    0.0000   13.170  5.3775 ?       ?      ?              ?        
1 1 1 4  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  4  3  o 14.987  2.9923 231.003   93.983   204.322   133.232  257.429   132.595  14.234  4.3098 15.739  4.1522 -1.505141      5.984529 
1 1 1 4  4  4  o 179.807 23.330 41094.12  8080.36  40478.46  11425.53 41710.16  11429.17 178.071 33.306 181.542 32.680 -3.471298      46.66096 
1 1 1 4  4  5  o 78.538  8.1608 6379.04   1281.84  6350.85   1812.63  6407.24   1812.97  78.358  11.566 78.717  11.516 -0.3585281     16.32151 
1 1 1 4  4  6  o 85.902  10.712 7410.30   1737.66  5869.74   2129.58  10479.35  3005.78  72.929  15.098 98.876  15.200 -25.94669      21.42367 
1 1 1 4  4  7  o 149.717 33.905 49701.95  11370.47 46203.92  13926.24 56697.06  19693.35 157.580 42.993 141.855 52.439 15.72556       67.81015 
1 1 1 4  4  8  o 62.056  9.6478 5273.93   1195.03  6712.12   1463.89  2400.87   2069.06  79.056  9.2586 45.055  16.929 34.00041       19.29565 
1 1 1 4  4  9  o 20.501  3.3903 430.997   130.402  392.380   159.039  510.220   227.793  19.224  4.2495 21.778  5.2837 -2.554159      6.780554 
1 1 1 4  4  10 o 18.705  3.3370 367.700   118.903  339.895   144.490  426.029   209.276  17.745  4.1460 19.666  5.2301 -1.920368      6.674041 
1 1 1 4  4  11 o 22.159  3.3716 465.091   144.391  297.988   174.682  825.559   256.560  16.484  4.9223 27.833  4.6089 -11.34900      6.743212 
1 1 1 4  4  12 o 38.081  6.1613 1772.12   442.473  1406.05   541.480  2507.82   767.628  32.900  8.2454 43.261  9.1574 -10.36098      12.32257 
1 1 1 4  4  13 o 25.132  4.4705 856.747   231.163  978.914   282.521  609.301   402.081  29.310  4.8196 20.955  7.5308 8.354563       8.941029 
1 1 1 4  4  14 o 22.023  5.0943 572.416   219.923  572.416   219.923  0.0000    0.0000   22.023  5.0943 ?       ?      ?              ?        
1 1 1 4  4  15 o 12.079  4.3882 157.969   137.010  157.969   137.010  0.0000    0.0000   12.079  4.3882 ?       ?      ?              ?        
1 1 1 4  4  16 o 17.058  5.3920 466.630   205.938  466.630   205.938  0.0000    0.0000   17.058  5.3920 ?       ?      ?              ?        
1 1 1 4  4  17 o 8.7828  3.9416 36.555    143.801  36.555    143.801  0.0000    0.0000   8.7828  3.9416 ?       ?      ?              ?        
1 1 1 4  4  18 o 7.8365  3.7191 22.033    157.250  22.033    157.250  0.0000    0.0000   7.8365  3.7191 ?       ?      ?              ?        
1 1 1 4  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  5  4  o 139.193 25.545 26503.33  7454.57  18697.46  10540.72 34314.04  10543.98 114.647 38.720 163.739 33.331 -49.09209      51.08986 
1 1 1 4  5  5  o 106.832 14.037 11988.32  2771.67  10485.35  3392.80  15003.77  4805.74  97.946  17.982 115.717 21.558 -17.77110      28.07354 
1 1 1 4  5  6  o 91.235  13.986 10502.50  2406.81  12050.83  2947.95  7407.29   4168.06  105.924 13.915 76.547  24.264 29.37680       27.97132 
1 1 1 4  5  7  o 72.085  10.363 5974.14   1379.03  6364.86   1690.73  5197.61   2383.55  77.761  10.871 66.410  17.645 11.35136       20.72549 
1 1 1 4  5  8  o 44.917  6.8866 2568.11   601.224  3265.93   737.282  1183.06   1038.72  56.116  6.5692 33.718  12.106 22.39852       13.77317 
1 1 1 4  5  9  o 69.750  12.010 6734.63   1593.32  5553.48   1950.26  9105.34   2762.98  62.642  15.620 76.858  18.247 -14.21550      24.01975 
1 1 1 4  5  10 o 28.573  4.4936 895.738   238.311  864.594   290.422  959.932   416.955  28.197  5.3456 28.950  7.2245 -0.7532120     8.987127 
1 1 1 4  5  11 o 19.756  3.4002 390.027   128.195  288.487   155.238  607.732   227.307  16.188  4.5860 23.324  5.0213 -7.136637      6.800389 
1 1 1 4  5  12 o 31.302  5.4014 1212.11   320.422  1075.48   391.283  1490.27   558.293  29.471  6.7796 33.132  8.4105 -3.661055      10.80274 
1 1 1 4  5  13 o 23.759  4.4432 737.503   209.308  750.305   258.234  712.987   357.369  24.871  5.3502 22.646  7.0952 2.224550       8.886372 
1 1 1 4  5  14 o 14.456  3.4628 233.323   115.898  227.651   144.018  243.748   195.241  14.159  4.5127 14.753  5.2535 -0.5944672     6.925547 
1 1 1 4  5  15 o 12.074  3.1665 157.880   101.716  177.472   130.587  127.657   162.192  12.465  4.3074 11.683  4.6426 0.7817287      6.332987 
1 1 1 4  5  16 o 10.381  4.2192 131.737   137.174  131.737   137.174  0.0000    0.0000   10.381  4.2192 ?       ?      ?              ?        
1 1 1 4  5  17 o 9.9355  4.1769 124.625   140.820  124.625   140.820  0.0000    0.0000   9.9355  4.1769 ?       ?      ?              ?        
1 1 1 4  5  18 o 5.9003  2.9569 -196.3759 149.487  -196.3759 149.487  0.0000    0.0000   5.9003  2.9569 ?       ?      ?              ?        
1 1 1 4  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  6  5  o 136.304 25.002 25510.46  7264.56  16493.52  10273.36 34528.35  10273.91 107.872 38.140 164.736 32.337 -56.86383      50.00406 
1 1 1 4  6  6  o 105.867 19.532 14922.62  4179.22  14774.95  5905.27  15070.79  5915.36  105.252 27.683 106.481 27.562 -1.228767      39.06425 
1 1 1 4  6  7  o 49.635  8.1980 2742.01   800.498  3000.42   1131.34  2482.93   1132.81  52.147  11.183 47.123  11.990 5.023853       16.39603 
1 1 1 4  6  8  o 51.745  9.0575 3220.09   932.397  3199.86   1322.35  3240.10   1314.90  51.542  12.868 51.948  12.751 -0.4062271     18.11499 
1 1 1 4  6  9  o 24.558  4.5911 679.824   229.312  631.550   325.516  727.381   323.090  23.675  6.6177 25.441  6.3654 -1.765921      9.182194 
1 1 1 4  6  10 o 22.625  4.3738 577.470   205.295  485.795   291.082  668.206   289.587  20.866  6.3816 24.384  5.9829 -3.517731      8.747622 
1 1 1 4  6  11 o 41.112  8.6407 2597.14   762.920  2656.50   1077.43  2537.45   1080.44  41.720  12.164 40.505  12.275 1.214447       17.28135 
1 1 1 4  6  12 o 17.343  3.7860 354.707   148.076  264.310   216.071  434.759   203.332  15.488  5.5254 19.198  5.1772 -3.709260      7.571903 
1 1 1 4  6  13 o 26.615  5.8341 1062.51   345.316  1183.55   488.013  941.144   488.689  28.361  8.1630 24.868  8.3374 3.492300       11.66822 
1 1 1 4  6  14 o 16.133  3.6592 271.616   154.193  523.988   222.355  37.835    214.008  20.711  5.3352 11.555  5.0094 9.155818       7.318422 
1 1 1 4  6  15 o 16.136  4.1051 333.025   170.952  272.562   246.476  389.074   237.308  15.081  5.8013 17.190  5.8097 -2.108816      8.210218 
1 1 1 4  6  16 o 13.683  3.7772 294.800   143.006  237.151   175.804  407.550   245.861  12.558  4.8802 14.808  5.7666 -2.249843      7.554497 
1 1 1 4  6  17 o 15.607  5.7839 544.043   239.885  544.043   239.885  0.0000    0.0000   15.607  5.7839 ?       ?      ?              ?        
1 1 1 4  6  18 o 9.6162  4.4553 269.682   203.594  269.682   203.594  0.0000    0.0000   9.6162  4.4553 ?       ?      ?              ?        
1 1 1 4  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  7  6  o 113.235 32.247 19364.83  7655.00  0.0000    0.0000   19364.83  7655.00  ?       ?      113.235 32.247 ?              ?        
1 1 1 4  7  7  o 20.053  3.7743 425.989   154.454  381.283   216.356  472.453   220.568  19.033  5.4218 21.073  5.2522 -2.040419      7.548553 
1 1 1 4  7  8  o 70.193  14.803 7913.48   2235.81  8072.40   3160.42  7754.27   3163.42  71.122  20.861 69.263  21.007 1.859222       29.60545 
1 1 1 4  7  9  o 27.265  5.1131 880.152   284.587  784.985   403.656  974.207   401.289  25.702  7.4316 28.827  7.0247 -3.124449      10.22619 
1 1 1 4  7  10 o 16.407  3.6956 295.529   136.968  264.821   192.428  327.063   195.001  15.699  5.2316 17.115  5.2211 -1.415164      7.391174 
1 1 1 4  7  11 f 12.905  3.2333 162.936   104.518  177.813   150.082  148.928   145.640  13.280  4.6161 12.531  4.5286 0.7490473      6.466552 
1 1 1 4  7  12 o 23.054  4.8809 695.267   242.698  713.863   343.338  676.695   343.114  23.377  6.8813 22.730  6.9238 0.6471443      9.761753 
1 1 1 4  7  13 o 16.460  3.7120 308.386   147.266  158.893   212.328  446.964   204.429  13.492  5.3276 19.427  5.1704 -5.934144      7.424043 
1 1 1 4  7  14 o 17.078  4.1005 353.674   168.887  426.088   242.209  285.152   235.613  18.436  5.8497 15.719  5.7478 2.717187       8.201036 
1 1 1 4  7  15 o 10.436  3.1791 44.573    121.718  -6.0182   179.356  87.765    165.722  9.8940  4.4238 10.978  4.5670 -1.084119      6.358205 
1 1 1 4  7  16 o 11.771  3.5195 150.093   149.070  29.593    216.847  258.064   205.264  10.280  4.7026 13.261  5.2376 -2.981434      7.038965 
1 1 1 4  7  17 o 11.221  3.6654 303.532   192.746  365.761   278.286  246.155   267.218  11.703  5.3433 10.739  5.0189 0.9632530      7.330774 
1 1 1 4  7  18 o 9.8451  4.6802 279.061   251.059  279.061   251.059  0.0000    0.0000   9.8451  4.6802 ?       ?      ?              ?        
1 1 1 4  8  0  o 169.398 61.099 48155.25  18969.04 0.0000    0.0000   48155.25  18969.04 169.398 61.099 169.398 61.099 0.000000       0.000000 
1 1 1 4  8  1  o 110.806 16.566 13079.47  3671.29  13079.47  3671.29  0.0000    0.0000   110.806 16.566 ?       ?      ?              ?        
1 1 1 4  8  2  o 109.705 26.775 14687.17  5823.15  14687.17  5823.15  0.0000    0.0000   109.705 26.775 ?       ?      ?              ?        
1 1 1 4  8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  8  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 4  8  7  o 61.228  15.407 4664.45   1885.16  0.0000    0.0000   4664.45   1885.16  ?       ?      61.228  15.407 ?              ?        
1 1 1 4  8  8  o 36.834  6.4481 1567.40   472.707  1499.36   665.751  1636.57   671.299  35.975  9.2128 37.694  9.0243 -1.719490      12.89627 
1 1 1 4  8  9  o 53.757  12.842 5886.02   1668.57  5053.78   2357.72  6721.09   2361.73  48.671  18.114 58.843  18.208 -10.17233      25.68357 
1 1 1 4  8  10 o 21.886  4.3400 547.473   197.794  515.666   276.834  580.644   282.704  21.257  6.1568 22.514  6.1185 -1.257330      8.679973 
1 1 1 4  8  11 o 26.838  5.4000 920.852   303.878  888.317   430.568  953.140   428.933  26.318  7.6944 27.359  7.5786 -1.040461      10.79993 
1 1 1 4  8  12 o 26.301  5.5363 961.340   313.800  886.858   443.184  1036.22   444.378  25.161  7.9043 27.441  7.7539 -2.280090      11.07252 
1 1 1 4  8  13 o 10.710  3.0028 90.400    95.343   95.947    126.776  83.177    144.658  10.656  4.1433 10.764  4.3475 -0.1076117     6.005653 
1 1 1 4  8  14 o 20.273  4.7184 591.736   225.491  707.192   319.575  477.262   318.215  22.223  6.6627 18.323  6.6829 3.899817       9.436798 
1 1 1 4  8  15 o 9.2317  2.9666 -9.8897   119.842  -46.3636  180.142  19.069    160.515  9.0521  4.1929 9.4112  4.1981 -0.3590651     5.933294 
1 1 1 4  8  16 o 10.379  3.2695 68.040    140.076  -13.2267  206.498  137.307   190.644  9.5929  4.4591 11.164  4.7828 -1.571308      6.538998 
1 1 1 4  8  17 o 9.9822  3.3291 195.477   173.440  165.940   250.298  222.760   240.555  9.7513  4.6462 10.213  4.7692 -0.4618301     6.658245 
1 1 1 4  9  0  o 23.302  5.5295 704.748   231.646  632.498   328.378  776.316   326.822  21.591  8.1287 25.013  7.4985 0.000000       0.000000 
1 1 1 4  9  1  o 89.475  12.261 8786.53   2021.69  8931.37   2477.01  8497.52   3498.99  92.549  13.382 86.401  20.548 6.148087       24.52175 
1 1 1 4  9  2  o 97.481  22.485 10793.06  4294.39  10793.06  4294.39  0.0000    0.0000   97.481  22.485 ?       ?      ?              ?        
1 1 1 4  9  3  o 81.060  18.810 7475.39   2990.59  7475.39   2990.59  0.0000    0.0000   81.060  18.810 ?       ?      ?              ?        
1 1 1 4  9  4  o 117.968 33.338 20771.65  8214.23  20771.65  8214.23  0.0000    0.0000   117.968 33.338 ?       ?      ?              ?        
1 1 1 4  9  5  o 24.903  6.2536 655.109   311.025  655.109   311.025  0.0000    0.0000   24.903  6.2536 ?       ?      ?              ?        
1 1 1 4  9  6  o 65.233  16.810 5479.08   2206.84  5479.08   2206.84  0.0000    0.0000   65.233  16.810 ?       ?      ?              ?        
1 1 1 4  9  7  o 57.423  14.798 4224.88   1710.10  0.0000    0.0000   4224.88   1710.10  ?       ?      57.423  14.798 ?              ?        
1 1 1 4  9  8  o 32.382  8.3926 1253.04   548.001  0.0000    0.0000   1253.04   548.001  ?       ?      32.382  8.3926 ?              ?        
1 1 1 4  9  9  o 42.510  8.1508 2405.75   710.509  2456.08   1001.69  2354.77   1007.96  43.067  11.437 41.953  11.616 1.113895       16.30160 
1 1 1 4  9  10 f 33.019  6.4861 1445.76   443.660  1450.35   626.590  1441.14   628.273  33.089  9.1576 32.950  9.1880 0.1388779      12.97230 
1 1 1 4  9  11 f 18.603  4.0838 404.085   167.988  385.986   238.418  421.929   236.732  18.230  5.8058 18.976  5.7447 -0.7454681     8.167592 
1 1 1 4  9  12 o 19.261  4.2234 458.859   188.912  285.086   264.896  638.706   269.486  15.947  6.0427 22.575  5.9022 -6.627892      8.446863 
1 1 1 4  9  13 o 8.5192  2.6587 -24.3730  90.131   -75.1500  132.013  19.962    123.355  7.9347  3.6442 9.1037  3.8722 -1.168904      5.317338 
1 1 1 4  9  14 o 13.047  3.3208 190.409   107.975  197.912   132.756  175.746   185.589  13.103  4.3443 12.990  5.0236 0.1123734      6.641552 
1 1 1 4  9  15 o 17.363  3.6750 454.455   157.108  588.860   194.282  200.478   267.067  21.424  4.6664 13.302  5.6786 8.122017       7.349936 
1 1 1 4  9  16 o 10.503  3.2407 116.549   125.050  100.294   157.864  143.930   204.886  10.019  4.3229 10.987  4.8293 -0.9679794     6.481431 
1 1 1 4  9  17 f 13.173  3.6870 406.237   179.921  601.265   224.595  56.880    300.599  16.641  5.6518 9.7056  4.7363 6.935373       7.373977 
1 1 1 4  10 0  o 42.556  8.9683 2261.50   664.567  2226.04   942.656  2296.53   937.050  42.046  12.832 43.067  12.532 0.000000       0.000000 
1 1 1 4  10 1  o 76.541  7.9559 6065.50   1216.75  5768.00   1720.17  6363.40   1721.33  74.597  11.530 78.485  10.966 -3.887596      15.91184 
1 1 1 4  10 2  o 130.563 27.420 27519.68  7683.47  27955.20  10865.29 27084.04  10866.84 131.922 38.676 129.204 38.878 2.717880       54.83936 
1 1 1 4  10 3  f 46.589  10.704 2349.51   976.460  2349.51   976.460  0.0000    0.0000   46.589  10.704 ?       ?      ?              ?        
1 1 1 4  10 4  o 55.303  12.780 3387.83   1385.14  3387.83   1385.14  0.0000    0.0000   55.303  12.780 ?       ?      ?              ?        
1 1 1 4  10 5  o 28.085  6.9102 843.640   385.493  843.640   385.493  0.0000    0.0000   28.085  6.9102 ?       ?      ?              ?        
1 1 1 4  10 6  o 84.782  26.982 12970.33  5150.24  12970.33  5150.24  0.0000    0.0000   84.782  26.982 ?       ?      ?              ?        
1 1 1 4  10 7  o 40.450  7.1056 1921.52   572.518  1860.68   811.221  1981.89   808.112  39.739  10.166 41.161  9.9307 -1.421997      14.21128 
1 1 1 4  10 8  o 26.319  4.9590 807.302   265.709  811.385   380.288  803.408   371.407  26.362  7.0681 26.277  6.9575 0.8526611E-01  9.917909 
1 1 1 4  10 9  o 20.509  3.9798 475.224   181.686  237.177   256.304  715.660   257.587  15.822  5.9558 25.196  5.2806 -9.373613      7.959653 
1 1 1 4  10 10 o 32.911  5.7643 1388.18   433.685  2176.45   614.709  606.970   611.948  42.955  7.1552 22.866  9.0395 20.08978       11.52860 
1 1 1 4  10 11 o 22.491  4.0202 574.291   173.063  484.950   210.997  757.960   302.528  20.248  5.1871 24.734  6.1433 -4.486280      8.040299 
1 1 1 4  10 12 o 12.308  3.1513 154.683   97.878   167.420   120.976  130.544   166.539  12.437  4.1482 12.178  4.7451 0.2587748      6.302674 
1 1 1 4  10 13 o 19.923  3.9225 530.860   171.425  644.772   209.375  299.224   298.568  23.571  4.6065 16.275  6.3501 7.295710       7.844987 
1 1 1 4  10 14 o 13.990  3.5016 224.623   119.452  184.501   150.747  292.323   195.820  12.757  4.6078 15.224  5.2738 -2.467637      7.003191 
1 1 1 4  10 15 o 10.428  3.1296 118.742   117.381  171.835   148.599  30.640    191.421  11.271  4.4549 9.5841  4.3967 1.686854       6.259161 
1 1 1 4  10 16 o 13.404  3.7345 273.110   148.682  119.742   186.378  541.542   246.574  10.379  4.5823 16.429  5.8981 -6.050279      7.468967 
1 1 1 4  10 17 o 8.3064  2.8106 -4.3206   120.283  -93.0647  146.676  177.905   210.181  6.8307  3.3278 9.7821  4.5303 -2.951398      5.621188 
1 1 1 4  11 0  o 14.850  4.1074 304.976   118.646  259.590   169.441  348.635   166.187  13.374  5.9668 16.325  5.6464 0.000000       0.000000 
1 1 1 4  11 1  o 124.559 14.224 17920.70  3542.89  17577.38  5008.86  18264.44  5011.95  123.186 20.330 125.932 19.899 -2.746048      28.44843 
1 1 1 4  11 2  o 85.620  11.819 8126.65   1877.00  7909.11   2298.72  8561.87   3251.42  86.044  13.358 85.195  19.503 0.8487091      23.63894 
1 1 1 4  11 3  f 124.773 29.442 30898.27  8620.63  30637.56  12191.30 31158.98  12191.53 124.053 41.643 125.493 41.633 -1.439857      58.88473 
1 1 1 4  11 4  o 40.144  9.4329 1758.49   744.523  1758.49   744.523  0.0000    0.0000   40.144  9.4329 ?       ?      ?              ?        
1 1 1 4  11 5  o 36.073  8.6743 1435.25   618.132  1435.25   618.132  0.0000    0.0000   36.073  8.6743 ?       ?      ?              ?        
1 1 1 4  11 6  o 27.804  6.9731 848.261   387.068  848.261   387.068  0.0000    0.0000   27.804  6.9731 ?       ?      ?              ?        
1 1 1 4  11 7  o 17.617  5.1593 337.908   193.442  337.908   193.442  0.0000    0.0000   17.617  5.1593 ?       ?      ?              ?        
1 1 1 4  11 8  o 27.947  5.0009 892.501   287.697  1180.36   410.758  615.300   403.080  32.475  6.5502 23.418  7.5586 9.056946       10.00189 
1 1 1 4  11 9  o 32.804  6.3476 1410.42   437.041  1113.08   618.750  1706.46   617.392  28.908  9.3686 36.700  8.5672 -7.792389      12.69516 
1 1 1 4  11 10 o 22.844  4.5392 622.591   224.039  424.451   315.918  823.060   317.768  19.253  6.6969 26.436  6.1295 -7.183155      9.078497 
1 1 1 4  11 11 o 25.317  5.2793 867.965   291.227  1051.39   414.280  688.766   409.475  28.157  7.2969 22.478  7.6314 5.679930       10.55850 
1 1 1 4  11 12 o 23.561  4.3910 726.372   205.366  760.668   250.949  656.833   357.338  25.283  5.1380 21.839  7.1220 3.444218       8.781971 
1 1 1 4  11 13 o 24.330  4.3992 822.549   226.175  961.734   276.701  542.322   392.618  28.913  4.7850 19.747  7.3834 9.166573       8.798352 
1 1 1 4  11 14 o 14.823  3.6336 273.700   128.826  285.635   156.917  249.023   225.635  15.217  4.6908 14.429  5.5505 0.7883911      7.267183 
1 1 1 4  11 15 o 11.723  3.3496 169.026   116.287  137.455   143.175  230.221   199.333  10.812  4.3398 12.635  5.1034 -1.823156      6.699175 
1 1 1 4  11 16 o 9.7991  3.1232 112.505   127.982  121.060   162.029  98.313    208.687  9.7998  4.3014 9.7983  4.5294 0.1478195E-02  6.246420 
1 1 1 4  11 17 o 7.1210  2.4776 -36.4398  123.819  -44.5736  181.863  -29.4117  169.050  7.1346  3.5217 7.1074  3.4859 0.2721167E-01  4.955160 
1 1 1 4  12 0  o 12.438  3.7469 220.648   94.842   216.601   133.916  224.720   134.338  12.295  5.2998 12.580  5.2980 0.000000       0.000000 
1 1 1 4  12 1  o 68.460  7.2240 4903.46   989.050  4833.83   1397.55  4973.33   1399.91  67.954  10.283 68.967  10.149 -1.013580      14.44808 
1 1 1 4  12 2  o 133.271 25.170 29810.20  6792.17  30265.46  8317.56  28898.93  11767.50 146.904 29.337 119.638 40.909 27.26626       50.34040 
1 1 1 4  12 3  o 38.673  6.5134 1651.28   497.547  1807.14   703.143  1494.98   704.134  40.601  8.9043 36.745  9.5084 3.856033       13.02675 
1 1 1 4  12 4  o 49.727  8.4967 2873.29   837.521  3144.30   1184.38  2602.23   1184.48  52.312  11.622 47.143  12.398 5.169121       16.99344 
1 1 1 4  12 5  o 60.479  16.105 4907.56   1982.71  4907.56   1982.71  0.0000    0.0000   60.479  16.105 ?       ?      ?              ?        
1 1 1 4  12 6  o 22.964  6.0852 581.737   283.960  581.737   283.960  0.0000    0.0000   22.964  6.0852 ?       ?      ?              ?        
1 1 1 4  12 7  o 38.491  10.376 1931.33   816.954  1931.33   816.954  0.0000    0.0000   38.491  10.376 ?       ?      ?              ?        
1 1 1 4  12 8  o 24.500  6.8262 717.003   346.940  717.003   346.940  0.0000    0.0000   24.500  6.8262 ?       ?      ?              ?        
1 1 1 4  12 9  o 20.330  4.1147 471.473   175.897  490.406   250.414  453.034   247.129  20.713  5.8094 19.946  5.8287 0.7675743      8.229398 
1 1 1 4  12 10 o 36.016  6.7232 2068.39   623.531  3572.30   886.181  593.809   877.496  50.039  9.1936 21.992  9.8124 28.04712       13.44645 
1 1 1 4  12 11 o 23.641  4.6614 750.498   260.902  1168.38   366.025  318.887   371.989  30.333  6.2417 16.950  6.9250 13.38292       9.322791 
1 1 1 4  12 12 o 24.941  4.1725 682.302   201.518  452.488   245.973  1151.43   351.435  19.156  5.8676 30.726  5.9337 -11.56983      8.344921 
1 1 1 4  12 13 o 21.894  3.8945 705.151   205.856  967.443   253.678  199.371   352.267  28.919  4.3860 14.870  6.4367 14.04912       7.788976 
1 1 1 4  12 14 o 10.964  3.2342 109.251   115.987  127.214   143.163  74.939    197.863  11.017  4.3668 10.910  4.7720 0.1061583      6.468434 
1 1 1 4  12 15 o 15.038  3.6447 317.750   142.033  142.646   184.096  575.255   223.250  11.144  4.7350 18.932  5.5421 -7.787841      7.289378 
1 1 1 4  12 16 o 7.6006  2.6777 -192.4791 146.059  68.639    234.640  -357.6632 186.624  9.0202  4.3501 6.1809  3.1236 2.839351       5.355406 
1 1 1 4  12 17 o 9.6094  3.2033 221.026   160.699  232.085   194.114  196.939   286.482  9.9150  4.5021 9.3039  4.5580 0.6110916      6.406525 
1 1 1 4  13 0  o 43.635  9.4896 2482.87   726.191  2653.35   1028.19  2313.18   1025.79  45.858  12.946 41.412  13.878 -0.000000      0.000000 
1 1 1 4  13 1  o 42.696  6.2299 2032.69   492.311  2143.95   601.869  1807.74   855.805  45.460  6.6197 39.931  10.556 5.529289       12.45975 
1 1 1 4  13 2  o 86.198  14.503 10304.74  2371.48  10173.60  2903.64  10567.47  4109.84  89.995  16.749 82.402  23.681 7.593239       29.00506 
1 1 1 4  13 3  o 74.365  14.666 8008.52   2264.16  8158.78   3200.51  7857.99   3203.49  75.250  20.644 73.480  20.838 1.770363       29.33264 
1 1 1 4  13 4  f 46.962  8.2590 2641.69   772.821  2729.87   1092.30  2553.30   1093.57  47.846  11.547 46.078  11.812 1.768314       16.51793 
1 1 1 4  13 5  o 31.029  5.5380 1097.48   343.707  1099.63   485.685  1095.32   486.466  31.063  7.8224 30.995  7.8416 0.6841087E-01  11.07610 
1 1 1 4  13 6  o 25.230  6.7251 736.772   345.515  736.772   345.515  0.0000    0.0000   25.230  6.7251 ?       ?      ?              ?        
1 1 1 4  13 7  o 49.044  17.600 5444.45   2195.27  5444.45   2195.27  0.0000    0.0000   49.044  17.600 ?       ?      ?              ?        
1 1 1 4  13 8  o 21.327  6.0337 525.995   268.905  525.995   268.905  0.0000    0.0000   21.327  6.0337 ?       ?      ?              ?        
1 1 1 4  13 9  o 34.336  10.005 1705.53   729.120  1705.53   729.120  0.0000    0.0000   34.336  10.005 ?       ?      ?              ?        
1 1 1 4  13 10 o 19.654  3.8015 437.323   175.434  766.901   255.333  142.609   241.450  25.625  5.1606 13.683  5.5834 11.94184       7.603100 
1 1 1 4  13 11 o 15.195  3.6035 257.507   134.253  342.514   183.215  158.938   197.290  17.111  5.0239 13.279  5.1672 3.832028       7.206949 
1 1 1 4  13 12 o 20.446  4.6313 550.047   218.113  666.948   309.774  435.113   307.158  22.480  6.5133 18.412  6.5858 4.067856       9.262633 
1 1 1 4  13 13 o 22.744  4.6492 731.477   215.647  691.444   263.714  812.275   374.648  22.760  5.7819 22.727  7.2822 0.3383636E-01  9.298381 
1 1 1 4  13 14 o 10.530  3.1138 52.075    111.798  -71.8895  138.400  284.863   189.656  7.5427  3.5523 13.516  5.1150 -5.973681      6.227573 
1 1 1 4  13 15 o 13.180  3.7761 298.059   152.100  291.971   185.981  310.356   264.307  13.342  5.0613 13.018  5.6053 0.3236780      7.552281 
1 1 1 4  13 16 o 9.8468  3.1503 134.680   133.849  162.875   167.256  84.464    223.212  10.185  4.4219 9.5090  4.4884 0.6755552      6.300694 
1 1 1 4  14 0  o 18.153  4.7376 447.240   159.380  459.441   225.242  435.005   225.555  18.506  6.6507 17.800  6.7488 0.000000       0.000000 
1 1 1 4  14 1  o 65.623  9.9782 5273.44   1226.97  5333.59   1502.14  5152.84   2126.88  69.003  10.885 62.244  16.727 6.758575       19.95633 
1 1 1 4  14 2  o 23.239  3.7319 578.159   161.788  584.254   197.406  565.692   282.362  23.571  4.3476 22.907  6.0669 0.6639862      7.463892 
1 1 1 4  14 3  o 21.038  3.9457 476.765   170.803  571.484   239.978  379.519   243.158  23.063  5.3121 19.013  5.8357 4.050310       7.891364 
1 1 1 4  14 4  o 31.866  5.7374 1182.47   367.385  1276.61   518.350  1087.45   520.779  33.242  7.9110 30.491  8.3119 2.751791       11.47483 
1 1 1 4  14 5  f 25.494  4.7830 753.724   248.214  706.033   350.053  801.951   352.011  24.654  6.8524 26.334  6.6749 -1.679743      9.566083 
1 1 1 4  14 6  o 45.605  9.0599 2955.73   860.990  2856.92   1216.61  3054.86   1218.64  44.683  12.897 46.526  12.728 -1.843037      18.11985 
1 1 1 4  14 7  o 46.778  15.944 4402.77   1787.40  4402.77   1787.40  0.0000    0.0000   46.778  15.944 ?       ?      ?              ?        
1 1 1 4  14 8  o 19.902  5.9390 464.517   254.356  464.517   254.356  0.0000    0.0000   19.902  5.9390 ?       ?      ?              ?        
1 1 1 4  14 9  o 22.248  6.6786 633.826   320.950  633.826   320.950  0.0000    0.0000   22.248  6.6786 ?       ?      ?              ?        
1 1 1 4  14 10 o 15.734  3.7686 288.786   144.145  212.857   205.638  362.132   202.110  14.188  5.3359 17.279  5.3231 -3.090924      7.537102 
1 1 1 4  14 11 o 22.998  3.7762 604.439   226.830  1260.87   322.587  -37.5415  319.016  33.232  4.8536 12.764  5.7863 20.46747       7.552445 
1 1 1 4  14 12 o 15.859  3.7474 292.427   157.948  74.605    224.827  504.701   221.945  11.938  5.1550 19.779  5.4405 -7.841114      7.494828 
1 1 1 4  14 13 o 19.914  4.3561 575.507   224.262  977.937   322.938  200.666   311.671  25.952  6.2879 13.875  6.0303 12.07696       8.712187 
1 1 1 4  14 14 f 14.409  4.0955 339.553   188.971  518.102   272.725  174.666   262.083  16.713  6.1724 12.105  5.3845 4.607792       8.190973 
1 1 1 4  14 15 o 10.600  3.2958 168.365   134.221  141.390   179.750  202.360   201.790  10.194  4.5003 11.006  4.8163 -0.8123770     6.591596 
1 1 1 4  14 16 o 8.0636  2.7933 41.081    144.136  -28.9314  181.326  161.251   237.559  7.3512  3.6064 8.7760  4.2665 -1.424770      5.586505 
1 1 1 4  15 0  o 76.444  22.654 12408.35  3479.77  12708.54  4921.50  12108.26  4920.77  78.222  31.955 74.665  32.121 0.000000       0.000000 
1 1 1 4  15 1  o 33.014  4.9667 1215.75   306.369  1275.41   375.181  1096.36   530.771  34.998  5.3601 31.030  8.3631 3.967583       9.933372 
1 1 1 4  15 2  o 19.445  3.2319 389.221   117.814  352.732   143.353  465.156   206.798  18.179  4.0468 20.710  5.0403 -2.531040      6.463849 
1 1 1 4  15 3  o 10.549  2.5503 103.451   66.513   143.630   93.438   62.177    94.701   11.763  3.6187 9.3357  3.5946 2.427078       5.100599 
1 1 1 4  15 4  o 22.164  4.2305 552.951   191.921  564.053   269.857  541.587   273.007  22.394  5.9311 21.934  6.0343 0.4608040      8.461100 
1 1 1 4  15 5  o 37.454  7.0063 1777.86   533.262  1844.93   752.778  1710.30   755.523  38.276  9.7934 36.632  10.022 1.643555       14.01256 
1 1 1 4  15 6  o 48.584  12.035 5050.96   1443.97  5075.81   2041.06  5026.06   2043.12  48.760  17.019 48.407  17.020 0.3529892      24.06901 
1 1 1 4  15 7  o 36.924  7.4455 1924.46   577.216  2001.70   815.804  1847.03   816.809  37.817  10.442 36.031  10.616 1.786179       14.89096 
1 1 1 4  15 8  o 29.562  8.5505 1197.40   534.261  1197.40   534.261  0.0000    0.0000   29.562  8.5505 ?       ?      ?              ?        
1 1 1 4  15 9  o 18.278  5.8280 404.005   240.192  404.005   240.192  0.0000    0.0000   18.278  5.8280 ?       ?      ?              ?        
1 1 1 4  15 10 o 16.405  3.9083 312.390   152.162  288.114   215.781  336.402   214.602  15.908  5.5347 16.901  5.5196 -0.9928236     7.816577 
1 1 1 4  15 11 o 20.825  4.1399 531.332   207.793  905.897   297.504  174.554   290.354  27.146  5.6629 14.505  6.0404 12.64185       8.279790 
1 1 1 4  15 12 o 14.900  3.8036 265.199   149.033  170.694   205.325  370.425   216.659  12.996  5.2039 16.803  5.5489 -3.807704      7.607287 
1 1 1 4  15 13 o 16.174  4.3001 394.479   197.040  567.251   284.603  235.429   273.069  18.670  6.3621 13.678  5.7869 4.991692       8.600298 
1 1 1 4  15 14 o 11.749  3.6239 188.494   163.157  112.007   238.007  256.303   224.098  10.906  4.9649 12.592  5.2801 -1.685501      7.247740 
1 1 1 4  15 15 o 10.901  3.5811 306.401   188.271  182.544   256.869  450.175   276.752  9.8609  4.7007 11.942  5.4037 -2.081182      7.162207 
1 1 1 4  15 16 o 7.5935  2.6383 -36.0533  124.931  -65.4911  148.431  35.468    231.360  6.8664  3.3458 8.3205  4.0803 -1.454165      5.276652 
1 1 1 4  16 0  o 12.556  3.7744 229.527   98.622   185.343   138.794  274.586   140.161  11.028  5.3622 14.085  5.3133 -0.000000      0.000000 
1 1 1 4  16 1  o 20.970  3.5720 499.378   143.274  534.871   175.663  428.845   247.629  22.331  4.0837 19.610  5.8617 2.721125       7.143974 
1 1 1 4  16 2  o 35.669  5.5096 1493.80   369.896  1517.51   453.016  1446.37   640.715  37.314  6.0702 34.024  9.1963 3.290211       11.01910 
1 1 1 4  16 3  o 20.622  3.9840 467.817   169.132  491.764   238.597  443.632   239.785  21.136  5.5671 20.108  5.7007 1.027534       7.968046 
1 1 1 4  16 4  o 22.615  4.3516 593.846   202.312  553.591   283.839  635.418   288.442  21.830  6.2070 23.400  6.1006 -1.569933      8.703107 
1 1 1 4  16 5  o 34.669  6.7367 1583.29   482.536  1684.22   680.598  1481.28   684.234  35.967  9.3683 33.372  9.6834 2.595249       13.47337 
1 1 1 4  16 6  o 31.628  6.0483 1272.87   394.535  1105.36   556.315  1442.38   559.613  29.298  8.7923 33.958  8.3080 -4.659594      12.09656 
1 1 1 4  16 7  o 27.970  5.5579 1004.21   324.457  1071.25   457.270  936.232   460.449  29.020  7.7372 26.919  7.9810 2.100727       11.11579 
1 1 1 4  16 8  o 12.919  3.2384 171.384   106.547  122.986   156.684  213.015   145.318  11.947  4.6171 13.891  4.5423 -1.944275      6.476891 
1 1 1 4  16 9  o 13.872  4.8139 213.934   163.187  213.934   163.187  0.0000    0.0000   13.872  4.8139 ?       ?      ?              ?        
1 1 1 4  16 10 o 24.991  7.5113 861.012   405.793  861.012   405.793  0.0000    0.0000   24.991  7.5113 ?       ?      ?              ?        
1 1 1 4  16 11 o 15.180  3.8192 272.460   152.132  401.576   219.532  153.166   211.015  17.524  5.5701 12.836  5.2267 4.688004       7.638374 
1 1 1 4  16 12 o 14.827  3.5866 209.118   148.507  519.243   227.433  -21.3927  196.079  19.613  5.5490 10.041  4.5456 9.571690       7.173131 
1 1 1 4  16 13 f 11.766  3.6005 177.808   157.568  275.483   229.686  90.977    216.562  12.945  5.3802 10.586  4.7861 2.358641       7.200910 
1 1 1 4  16 14 o 9.6975  3.1517 61.235    138.994  20.544    186.588  111.968   208.342  9.1146  4.2374 10.280  4.6665 -1.165889      6.303369 
1 1 1 4  16 15 f 8.4221  2.9133 -49.4910  163.299  -6.8415   235.910  -88.7268  226.272  8.7076  4.2375 8.1366  3.9992 0.5709991      5.826638 
1 1 1 4  17 0  f 28.535  9.6316 1123.18   491.613  0.0000    0.0000   1123.18   491.613  28.535  9.6316 28.535  9.6316 -0.000000      0.000000 
1 1 1 4  17 1  o 15.818  2.9960 275.668   94.232   293.469   115.666  240.533   162.497  16.548  3.5974 15.087  4.7919 1.460969       5.991948 
1 1 1 4  17 2  o 19.306  3.4258 414.103   126.926  410.293   155.430  421.731   219.905  19.362  4.1392 19.250  5.4599 0.1120510      6.851542 
1 1 1 4  17 3  o 31.448  5.9361 1234.07   380.551  1191.04   536.555  1277.64   539.821  30.847  8.4485 32.050  8.3410 -1.203732      11.87219 
1 1 1 4  17 4  o 15.822  3.3849 273.799   116.367  286.976   163.113  260.141   166.063  16.155  4.7395 15.490  4.8340 0.6653414      6.769797 
1 1 1 4  17 5  o 8.0632  2.3854 15.621    64.947   36.456    87.183   -10.3585  97.355   8.3807  3.3786 7.7458  3.3683 0.6349177      4.770800 
1 1 1 4  17 6  o 29.108  5.7756 1106.05   353.783  1282.43   501.319  931.058   499.337  31.663  7.9329 26.553  8.3964 5.110199       11.55125 
1 1 1 4  17 7  o 10.306  2.8693 79.340    86.708   65.137    131.276  90.331    115.484  10.217  4.1364 10.396  3.9776 -0.1785479     5.738526 
1 1 1 4  17 8  o 17.405  4.0200 373.049   161.071  349.414   224.738  398.013   230.967  16.915  5.6541 17.894  5.7160 -0.9796562     8.039992 
1 1 1 4  17 9  o 5.0687  2.5301 -262.7168 104.608  -262.7168 104.608  0.0000    0.0000   5.0687  2.5301 ?       ?      ?              ?        
1 1 1 4  17 10 o 26.833  8.3871 1102.94   499.685  1102.94   499.685  0.0000    0.0000   26.833  8.3871 ?       ?      ?              ?        
1 1 1 4  17 11 o 21.029  7.0057 680.423   345.080  680.423   345.080  0.0000    0.0000   21.029  7.0057 ?       ?      ?              ?        
1 1 1 4  17 12 o 18.525  4.8843 625.917   244.251  565.331   349.891  683.504   341.122  17.605  6.8727 19.446  6.9420 -1.840963      9.768612 
1 1 1 4  17 13 o 12.637  3.8225 249.749   171.678  255.932   247.820  244.043   238.053  12.707  5.4487 12.566  5.3628 0.1416988      7.645069 
1 1 1 4  17 14 o 8.1422  2.8270 -89.2012  157.854  -203.2597 218.777  34.663    227.988  7.4164  3.6951 8.8680  4.2795 -1.451591      5.654029 
1 1 1 4  17 15 o 7.6622  3.7573 -159.3607 152.174  7.2014    196.133  -411.2742 241.206  7.6622  3.7573 ?       ?      ?              ?        
1 1 1 4  18 0  o 26.710  6.5133 1013.55   319.581  1179.69   453.760  850.033   450.172  29.980  8.7181 23.441  9.6793 0.000000       0.000000 
1 1 1 4  18 1  o 45.019  8.0351 3070.81   718.083  3260.10   880.204  2694.12   1241.68  50.565  9.0353 39.473  13.290 11.09235       16.07014 
1 1 1 4  18 2  o 42.295  7.3108 2575.73   616.835  2773.95   755.830  2180.45   1067.36  48.006  7.8723 36.585  12.321 11.42107       14.62160 
1 1 1 4  18 3  o 33.826  6.5050 1499.97   455.204  1300.18   642.941  1700.78   644.575  31.241  9.4694 36.411  8.9214 -5.169395      13.00999 
1 1 1 4  18 4  o 14.198  3.2642 215.937   105.917  192.399   142.719  244.795   158.026  13.485  4.5057 14.911  4.7244 -1.426040      6.528482 
1 1 1 4  18 5  o 30.850  6.3578 1344.85   417.838  1449.15   588.432  1238.78   593.424  32.290  8.8490 29.409  9.1315 2.880663       12.71567 
1 1 1 4  18 6  o 35.607  9.9796 3668.49   1057.30  3592.41   1491.67  3745.31   1498.85  35.183  14.048 36.031  14.178 -0.8479652     19.95917 
1 1 1 4  18 7  f 27.814  6.2016 1223.90   385.716  1188.49   544.223  1259.64   546.755  27.352  8.7781 28.275  8.7627 -0.9224262     12.40324 
1 1 1 4  18 8  o 12.912  3.3064 159.049   112.964  80.097    151.348  258.356   169.741  10.887  4.4290 14.938  4.9104 -4.050653      6.612762 
1 1 1 4  18 9  o 28.221  6.2685 1289.69   405.407  1013.15   570.404  1571.97   576.305  24.646  8.9537 31.796  8.7754 -7.149910      12.53705 
1 1 1 4  18 10 o 15.901  5.6743 319.116   227.892  319.116   227.892  0.0000    0.0000   15.901  5.6743 ?       ?      ?              ?        
1 1 1 4  18 11 o 13.883  5.4937 268.681   226.222  268.681   226.222  0.0000    0.0000   13.883  5.4937 ?       ?      ?              ?        
1 1 1 4  18 12 o 13.810  3.9033 316.306   166.665  381.837   227.163  239.907   245.277  14.941  5.6103 12.680  5.4283 2.260656       7.806565 
1 1 1 4  18 13 o 10.150  3.3003 90.461    153.847  123.674   220.072  58.715    215.156  10.489  4.7748 9.8106  4.5574 0.6788588      6.600647 
1 1 1 4  18 14 o 10.237  3.4099 164.404   181.235  69.591    252.293  265.496   260.515  9.4751  4.5546 10.999  5.0761 -1.523685      6.819872 
1 1 1 4  19 0  o 36.856  13.970 2327.47   966.605  2327.47   966.605  0.0000    0.0000   36.856  13.970 36.856  13.970 0.000000       0.000000 
1 1 1 4  19 1  o 22.535  3.8974 600.151   167.592  620.867   204.146  557.329   293.502  23.618  4.4858 21.451  6.3747 2.166689       7.794829 
1 1 1 4  19 2  o 32.887  5.5307 1382.68   345.173  1393.04   422.944  1362.02   597.305  34.330  6.3953 31.444  9.0252 2.885506       11.06141 
1 1 1 4  19 3  o 12.742  3.0104 167.766   90.189   150.073   124.693  187.176   130.605  12.210  4.2096 13.274  4.3045 -1.063921      6.020745 
1 1 1 4  19 4  o 16.497  3.7321 313.432   139.662  268.690   191.911  363.808   203.634  15.437  5.2245 17.558  5.3308 -2.120593      7.464132 
1 1 1 4  19 5  o 22.230  4.6822 632.555   223.730  629.899   315.983  635.225   316.822  22.186  6.6192 22.275  6.6239 -0.8935356E-01 9.364305 
1 1 1 4  19 6  o 25.548  5.6033 974.032   320.315  1117.14   451.059  828.441   454.955  27.721  7.8047 23.376  8.0420 4.344929       11.20651 
1 1 1 4  19 7  o 16.225  3.7631 299.381   150.517  452.747   214.211  149.816   211.540  19.266  5.3623 13.183  5.2810 6.083215       7.526187 
1 1 1 4  19 8  o 13.620  3.5722 184.117   132.341  266.757   191.393  108.407   183.193  15.205  5.2169 12.034  4.8813 3.170319       7.144454 
1 1 1 4  19 9  o 24.651  5.8956 1068.13   349.138  932.302   492.548  1205.30   494.973  22.835  8.3165 26.467  8.3586 -3.632488      11.79115 
1 1 1 4  19 10 o 12.622  3.5924 149.003   139.699  178.826   195.558  117.925   199.632  13.104  5.1319 12.141  5.0284 0.9627514      7.184757 
1 1 1 4  19 11 o 9.7093  4.3771 51.059    179.627  51.059    179.627  0.0000    0.0000   9.7093  4.3771 ?       ?      ?              ?        
1 1 1 4  19 12 o 8.3633  3.9981 -90.3434  188.576  -90.3434  188.576  0.0000    0.0000   8.3633  3.9981 ?       ?      ?              ?        
1 1 1 4  19 13 o 7.7198  2.6828 -104.6013 142.823  -9.2130   207.819  -189.9788 196.611  8.3275  4.0349 7.1122  3.5369 1.215238       5.365625 
1 1 1 4  19 14 o 7.3322  2.5953 -93.1513  160.725  -90.3847  227.042  -95.9305  227.557  7.3420  3.6742 7.3223  3.6664 0.1967621E-01  5.190645 
1 1 1 4  20 0  o 10.062  5.1933 159.408   134.091  159.408   134.091  0.0000    0.0000   10.062  5.1933 10.062  5.1933 0.000000       0.000000 
1 1 1 4  20 1  o 20.532  4.3175 521.885   191.350  463.789   271.140  579.529   270.083  19.391  6.1931 21.672  6.0173 -2.281290      8.634990 
1 1 1 4  20 2  o 18.979  3.5697 419.510   132.258  413.832   160.817  431.377   232.486  19.087  4.3142 18.872  5.6884 0.2147903      7.139376 
1 1 1 4  20 3  o 10.624  2.2262 122.558   63.510   204.941   76.113   -66.2891  115.237  13.790  2.8538 7.4572  3.4175 6.332760       4.452320 
1 1 1 4  20 4  o 15.338  3.5484 259.336   131.140  148.801   180.715  382.293   190.599  12.765  4.9515 17.911  5.0842 -5.145472      7.096882 
1 1 1 4  20 5  o 12.645  3.2314 158.097   108.321  228.156   152.710  87.152    153.671  14.197  4.6571 11.094  4.4809 3.103306       6.462748 
1 1 1 4  20 6  o 15.272  3.7276 271.127   139.834  329.391   199.303  214.640   196.242  16.474  5.3148 14.070  5.2280 2.404506       7.455115 
1 1 1 4  20 7  f 17.215  3.9049 346.499   164.780  530.020   233.334  163.918   232.735  20.743  5.5253 13.688  5.5194 7.055184       7.809813 
1 1 1 4  20 8  o 9.3084  2.9146 -10.4783  107.641  31.147    157.735  -46.7571  147.258  9.9971  4.3173 8.6196  3.9167 1.377407       5.829226 
1 1 1 4  20 9  o 27.729  7.4265 1871.45   575.409  2136.04   812.325  1605.00   815.185  30.173  10.719 25.285  10.282 4.887375       14.85302 
1 1 1 4  20 10 o 13.195  3.6413 218.331   145.082  111.898   220.482  299.607   192.672  11.698  5.0779 14.692  5.2202 -2.994656      7.282519 
1 1 1 4  20 11 o 12.042  5.1644 175.250   222.714  175.250   222.714  0.0000    0.0000   12.042  5.1644 ?       ?      ?              ?        
1 1 1 4  20 12 o 10.467  4.6424 158.162   193.449  158.162   193.449  0.0000    0.0000   10.467  4.6424 ?       ?      ?              ?        
1 1 1 4  20 13 o 9.8595  3.1490 133.522   146.132  305.844   193.844  -93.3327  222.411  11.702  4.9091 8.0172  3.9453 3.684590       6.297953 
1 1 1 4  21 0  o 5.7306  3.6742 9.5015    95.327   9.5015    95.327   0.0000    0.0000   5.7306  3.6742 5.7306  3.6742 0.000000       0.000000 
1 1 1 4  21 1  o 7.7992  2.2725 2.2943    62.144   77.409    88.619   -70.3840  87.169   9.3915  3.5085 6.2069  2.8892 3.184672       4.545004 
1 1 1 4  21 2  o 9.7700  2.5570 45.879    63.839   -3.6474   74.809   178.579   122.453  6.8241  2.9601 12.716  4.1703 -5.891736      5.114012 
1 1 1 4  21 3  o 23.282  4.9780 736.191   251.701  763.792   354.875  708.249   357.052  23.769  6.9957 22.795  7.0840 0.9742146      9.956075 
1 1 1 4  21 4  o 31.135  7.1776 1681.03   513.269  1669.73   723.144  1692.49   728.630  31.051  10.132 31.219  10.169 -0.1678429     14.35518 
1 1 1 4  21 5  o 14.898  3.5702 246.980   129.652  172.392   182.072  323.711   184.668  13.240  5.0114 16.556  5.0863 -3.316210      7.140326 
1 1 1 4  21 6  o 18.042  4.1672 407.224   173.305  378.990   245.306  435.358   244.874  17.485  5.9068 18.600  5.8797 -1.115477      8.334352 
1 1 1 4  21 7  o 9.8658  2.9427 27.926    104.896  -72.9645  152.659  118.169   144.378  8.4522  3.8955 11.279  4.4117 -2.827059      5.885387 
1 1 1 4  21 8  o 15.645  3.6424 258.118   159.023  544.577   226.109  -22.2565  223.695  20.537  5.4243 10.753  4.8625 9.784022       7.284712 
1 1 1 4  21 9  o 15.394  4.1807 347.150   180.865  354.332   257.241  340.129   254.347  15.504  5.9354 15.285  5.8894 0.2186613      8.361480 
1 1 1 4  21 10 o 10.529  3.1734 15.801    138.204  -263.3290 201.251  264.919   190.124  7.6577  3.7654 13.401  5.1093 -5.743208      6.346878 
1 1 1 4  21 11 o 11.536  3.6755 193.794   178.749  241.548   259.219  150.500   246.816  12.010  5.3476 11.063  5.0439 0.9465303      7.351040 
1 1 1 4  21 12 o 12.660  5.9228 612.790   373.845  612.790   373.845  0.0000    0.0000   12.660  5.9228 ?       ?      ?              ?        
1 1 1 4  21 13 o 8.6313  2.9832 89.079    169.529  146.436   250.148  40.357    230.551  8.9639  4.3625 8.2987  4.0703 0.6651926      5.966474 
1 1 1 4  22 0  o 6.4827  4.0591 31.033    108.639  31.033    108.639  0.0000    0.0000   6.4827  4.0591 6.4827  4.0591 0.000000       0.000000 
1 1 1 4  22 1  o 24.325  5.2655 842.939   280.440  811.183   398.133  874.210   395.088  23.796  7.4945 24.854  7.3984 -1.057928      10.53108 
1 1 1 4  22 2  o 32.959  6.5463 1789.92   439.588  1735.39   537.985  1899.47   762.519  34.642  7.9354 31.276  10.414 3.366585       13.09257 
1 1 1 4  22 3  o 24.637  5.2425 834.433   279.420  846.452   393.823  822.249   396.510  24.851  7.3841 24.424  7.4439 0.4266605      10.48501 
1 1 1 4  22 4  o 10.286  2.9689 62.759    97.696   98.592    135.608  24.093    140.867  10.933  4.2757 9.6399  4.1200 1.293088       5.937706 
1 1 1 4  22 5  o 27.012  6.0333 1149.65   369.683  973.136   519.965  1330.07   525.705  24.614  8.5900 29.410  8.4745 -4.795551      12.06670 
1 1 1 4  22 6  f 24.658  5.7500 1014.71   329.774  936.648   461.067  1096.47   471.861  23.617  8.0975 25.699  8.1660 -2.081697      11.50009 
1 1 1 4  22 7  o 14.211  3.6501 206.199   145.665  380.978   210.488  45.566    201.790  17.242  5.4514 11.180  4.8555 6.062221       7.300211 
1 1 1 4  22 8  o 18.297  4.5920 547.732   212.308  609.862   299.239  484.756   301.270  19.345  6.5240 17.248  6.4641 2.096693       9.184026 
1 1 1 4  22 9  o 11.421  3.5055 147.761   148.952  122.362   213.165  171.995   208.221  11.114  4.9039 11.728  5.0106 -0.6140604     7.010975 
1 1 1 4  22 10 o 14.831  4.2618 463.176   210.129  612.572   286.034  288.023   309.710  16.982  6.3114 12.679  5.7288 4.303267       8.523649 
1 1 1 4  22 11 o 7.0676  2.5230 -340.4513 169.192  -346.6504 246.826  -334.9569 232.375  7.1413  3.6070 6.9939  3.5286 0.1473851      5.045965 
1 1 1 4  22 12 o 9.6417  3.3500 424.362   222.615  501.629   336.476  364.211   296.880  9.8188  4.8358 9.4646  4.6374 0.3541899      6.700030 
1 1 1 4  23 0  o 12.336  5.9493 246.823   170.395  246.823   170.395  0.0000    0.0000   12.336  5.9493 12.336  5.9493 0.000000       0.000000 
1 1 1 4  23 1  o 19.472  4.2771 485.027   185.862  416.084   266.462  550.353   259.379  18.135  6.1561 20.808  5.9395 -2.672327      8.554259 
1 1 1 4  23 2  o 16.774  3.4906 349.361   125.935  397.853   151.275  239.875   227.303  18.665  4.1587 14.883  5.6074 3.782841       6.981281 
1 1 1 4  23 3  o 11.438  2.9450 135.562   84.458   160.064   97.089   59.346    171.234  11.994  3.6885 10.883  4.5921 1.111465       5.890076 
1 1 1 4  23 4  o 15.626  3.6349 280.495   146.091  93.960    203.154  480.266   210.238  11.844  5.0002 19.408  5.2772 -7.563538      7.269831 
1 1 1 4  23 5  o 26.694  7.1654 1735.24   531.481  1902.52   751.217  1567.59   752.039  28.298  10.276 25.091  9.9886 3.207132       14.33076 
1 1 1 4  23 6  o 10.002  2.9628 24.698    110.548  151.172   147.422  -137.7915 167.098  11.887  4.5070 8.1176  3.8471 3.769615       5.925658 
1 1 1 4  23 7  o 10.805  3.2575 85.877    125.057  131.890   176.800  39.804    176.914  11.493  4.7437 10.117  4.4657 1.375397       6.515018 
1 1 1 4  23 8  o 11.513  3.5139 146.338   148.410  209.191   214.657  88.782    205.414  12.339  5.1706 10.688  4.7596 1.650978       7.027738 
1 1 1 4  23 9  o 14.348  3.9775 383.378   181.640  192.997   271.246  538.159   244.574  11.806  5.3454 16.890  5.8915 -5.083944      7.955011 
1 1 1 4  23 10 o 11.274  5.2282 340.062   281.306  0.0000    0.0000   340.062   281.306  ?       ?      11.274  5.2282 ?              ?        
1 1 1 4  23 11 o 11.121  3.7054 429.278   221.583  152.195   313.608  705.507   313.124  9.3162  4.6034 12.926  5.8076 -3.609860      7.410753 
1 1 1 4  24 0  o 7.4379  4.5814 59.252    132.859  59.252    132.859  0.0000    0.0000   7.4379  4.5814 7.4379  4.5814 0.000000       0.000000 
1 1 1 4  24 1  o 18.855  4.3713 485.798   191.933  417.866   272.040  553.128   270.833  17.589  6.2078 20.121  6.1560 -2.531784      8.742631 
1 1 1 4  24 2  o 15.474  3.3813 302.057   115.318  333.079   140.524  238.082   201.796  16.736  4.2038 14.212  5.2974 2.524197       6.762690 
1 1 1 4  24 3  o 25.917  5.1354 1014.08   268.709  982.107   327.394  1080.08   470.358  26.832  6.2218 25.002  8.1719 1.830282       10.27090 
1 1 1 4  24 4  f 17.853  4.3117 431.046   189.411  301.827   257.734  582.795   279.300  15.419  5.9320 20.287  6.2589 -4.868131      8.623394 
1 1 1 4  24 5  o 14.263  3.8580 278.605   156.905  189.647   218.468  373.377   225.492  12.704  5.2608 15.822  5.6445 -3.117580      7.716042 
1 1 1 4  24 6  o 12.485  3.6846 232.661   155.731  144.465   215.379  329.289   225.439  11.186  4.9329 13.784  5.4748 -2.598307      7.369295 
1 1 1 4  24 7  o 16.947  4.6079 542.490   221.788  413.514   298.752  700.847   331.037  15.142  6.1984 18.752  6.8198 -3.610806      9.215709 
1 1 1 4  24 8  o 11.095  3.3645 152.683   138.930  227.731   183.514  51.920    212.642  12.185  4.9054 10.005  4.6062 2.179530       6.729060 
1 1 1 4  24 9  o 9.5505  3.1806 103.713   159.018  14.293    229.674  186.046   220.384  8.8670  4.2830 10.234  4.7033 -1.367060      6.361244 
1 1 1 4  24 10 o 7.3644  2.5439 -134.4000 126.647  -332.5803 182.813  48.482    175.615  6.2206  3.1374 8.5082  4.0054 -2.287563      5.087832 
1 1 1 4  25 0  o 10.810  5.9094 209.929   182.254  209.929   182.254  0.0000    0.0000   10.810  5.9094 10.810  5.9094 0.000000       0.000000 
1 1 1 4  25 1  o 13.138  3.5416 219.194   130.159  257.660   182.918  179.740   185.250  13.881  5.0662 12.395  4.9502 1.486000       7.083139 
1 1 1 4  25 2  o 12.144  3.1976 177.630   96.626   170.286   112.783  197.899   187.353  11.762  4.0050 12.526  4.9858 -0.7631998     6.395195 
1 1 1 4  25 3  o 16.319  3.7359 384.861   141.895  423.806   169.134  292.302   260.741  18.096  4.6486 14.542  5.8497 3.553843       7.471872 
1 1 1 4  25 4  o 10.528  3.2042 106.699   124.505  170.331   173.371  38.934    178.912  11.441  4.7070 9.6163  4.3487 1.824360       6.408351 
1 1 1 4  25 5  o 11.469  3.3939 150.820   137.320  253.672   187.815  32.689    201.282  13.005  5.0468 9.9341  4.5391 3.070693       6.787819 
1 1 1 4  25 6  o 9.8461  3.1590 45.360    134.864  58.197    184.262  30.548    197.923  9.9099  4.4535 9.7822  4.4814 0.1277523      6.317990 
1 1 1 4  25 7  o 9.4348  3.0544 4.5955    139.499  173.119   189.612  -194.2483 205.964  11.049  4.7526 7.8206  3.8381 3.228480       6.108833 
1 1 1 4  25 8  o 8.3759  2.8699 -19.4427  144.599  -104.0659 189.377  98.874    223.926  7.5088  3.6841 9.2431  4.4014 -1.734302      5.739789 
1 1 1 4  25 9  o 9.8486  3.2554 142.778   167.222  -78.5953  238.293  357.565   234.722  8.1524  4.0254 11.545  5.1173 -3.392426      6.510851 
1 1 1 4  26 0  o 18.639  10.233 1212.21   549.198  1212.21   549.198  0.0000    0.0000   18.639  10.233 18.639  10.233 0.000000       0.000000 
1 1 1 4  26 1  o 16.686  4.6800 672.042   244.706  478.314   351.258  854.726   341.100  14.269  6.2956 19.102  6.9264 -4.833545      9.359949 
1 1 1 4  26 2  o 12.487  3.5357 230.264   133.986  218.941   186.150  242.436   193.006  12.293  4.9434 12.681  5.0564 -0.3879766     7.071410 
1 1 1 4  26 3  o 16.672  3.6608 348.387   135.299  192.720   163.332  688.779   241.525  12.133  4.7071 21.211  5.6080 -9.077350      7.321597 
1 1 1 4  26 4  o 8.6404  2.8718 -100.8322 130.807  -262.8573 180.596  77.979    189.720  7.0776  3.4966 10.203  4.5568 -3.125450      5.743685 
1 1 1 4  26 5  o 14.559  4.2105 440.526   201.500  557.199   278.898  313.119   291.444  16.204  6.1858 12.913  5.7141 3.291347       8.421098 
1 1 1 4  26 6  f 10.692  3.4083 172.065   157.501  254.636   216.152  78.599    229.971  11.605  5.0327 9.7798  4.5976 1.825010       6.816595 
1 1 1 4  26 7  o 10.652  3.5004 260.228   182.397  344.197   252.078  167.955   264.250  11.413  5.1615 9.8914  4.7298 1.521844       7.000855 
1 1 1 4  26 8  o 9.9268  3.2097 218.911   162.713  414.175   208.832  -82.7893  259.582  11.945  5.0575 7.9088  3.9535 4.035959       6.419397 
1 1 1 4  27 0  o 14.685  7.7795 536.725   306.827  536.725   306.827  0.0000    0.0000   14.685  7.7795 14.685  7.7795 0.000000       0.000000 
1 1 1 4  27 1  o 12.805  3.5466 239.882   140.934  406.641   205.975  93.085    193.253  15.321  5.4023 10.289  4.5967 5.032308       7.093275 
1 1 1 4  27 2  o 11.199  3.3256 168.523   126.637  193.850   175.424  140.962   183.001  11.602  4.7496 10.795  4.6561 0.8068266      6.651199 
1 1 1 4  27 3  o 11.848  3.4161 178.939   113.883  103.672   132.029  397.693   225.083  9.5797  4.0368 14.117  5.5120 -4.537136      6.832124 
1 1 1 4  27 4  o 7.8950  2.6703 -56.9579  119.687  -27.9031  164.068  -90.0078  174.985  8.0660  3.8196 7.7241  3.7328 0.3419895      5.340686 
1 1 1 4  27 5  o 10.108  3.3197 202.408   167.980  299.869   220.593  67.890    259.159  11.099  4.9382 9.1178  4.4380 1.980875       6.639431 
1 1 1 4  27 6  o 8.6980  2.9836 -38.3632  152.111  -140.7705 192.019  134.167   249.236  7.4881  3.6812 9.9078  4.6964 -2.419760      5.967156 
1 1 1 4  27 7  o 8.5800  2.9337 92.380    162.857  370.168   221.647  -233.5512 240.087  10.300  4.7275 6.8596  3.4753 3.440795       5.867455 
1 1 1 4  28 0  o 6.7504  4.5562 36.418    178.903  36.418    178.903  0.0000    0.0000   6.7504  4.5562 6.7504  4.5562 0.000000       0.000000 
1 1 1 4  28 1  o 11.160  3.5597 308.770   172.631  196.378   248.727  413.232   239.792  10.045  4.7403 12.274  5.3119 -2.229381      7.119427 
1 1 1 4  28 2  o 7.8739  2.6646 -12.2127  116.107  -38.9140  149.739  28.045    183.864  7.3686  3.5332 8.3791  3.9896 -1.010500      5.329191 
1 1 1 4  28 3  o 8.5857  2.7548 63.094    94.916   78.749    106.712  3.7987    207.682  8.4716  3.6024 8.6999  4.1688 -0.2283411     5.509608 
1 1 1 4  28 4  o 9.5642  3.1297 115.980   142.331  28.676    196.107  213.157   206.898  8.6488  4.1186 10.480  4.7134 -1.830769      6.259327 
1 1 1 4  28 5  o 10.045  3.4592 501.323   223.267  469.678   308.996  535.894   322.962  9.9436  4.8413 10.147  4.9423 -0.2033920     6.918451 
1 1 1 4  28 6  o 8.0427  2.7878 -36.5068  150.561  -220.9945 206.038  174.890   220.552  6.8286  3.4290 9.2569  4.3965 -2.428270      5.575615 
1 1 1 4  29 0  o 5.0811  3.6495 -143.4748 178.250  -143.4748 178.250  0.0000    0.0000   5.0811  3.6495 5.0811  3.6495 0.000000       0.000000 
1 1 1 4  29 1  o 9.0362  3.0381 187.252   149.376  131.396   205.384  249.977   217.647  8.5810  4.1207 9.4913  4.4654 -0.9103432     6.076191 
1 1 1 4  29 2  o 6.5628  2.3296 -180.8347 125.883  -330.9235 168.704  7.7071    189.084  5.6139  2.8514 7.5118  3.6847 -1.897970      4.659139 
1 1 1 4  29 3  o 8.0878  2.7397 17.362    124.167  -131.8048 162.846  224.525   191.910  6.5630  3.2561 9.6126  4.4071 -3.049664      5.479480 
1 1 1 5  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  1  2  o 166.565 32.708 40505.39  11284.30 40240.58  15951.21 40770.67  15965.63 165.899 46.309 167.231 46.203 -1.331940      65.41537 
1 1 1 5  1  3  o 127.719 21.383 19212.68  5377.75  18837.25  7609.45  19587.29  7601.12  126.301 30.474 129.137 30.003 -2.836189      42.76521 
1 1 1 5  1  4  o 121.595 18.726 18833.58  4282.75  16279.90  7413.73  20112.59  5246.76  109.003 31.945 134.186 19.550 -25.18325      37.45264 
1 1 1 5  1  5  o 43.539  4.6255 1916.17   402.762  1935.12   569.706  1897.22   569.477  43.756  6.5100 43.321  6.5727 0.4350777      9.251011 
1 1 1 5  1  6  o 75.226  7.7150 5845.91   1159.11  5501.48   1639.49  6190.12   1638.97  72.937  11.239 77.515  10.572 -4.577942      15.42997 
1 1 1 5  1  7  o 88.654  9.2551 8395.13   1640.99  8376.43   2319.65  8413.86   2321.76  88.551  13.098 88.756  13.079 -0.2055511     18.51011 
1 1 1 5  1  8  f 86.882  11.206 9307.28   1875.28  9146.69   2650.91  9468.15   2653.18  85.948  16.011 87.816  15.682 -1.868271      22.41119 
1 1 1 5  1  9  o 63.364  7.2839 4538.62   923.040  4495.80   1305.34  4581.44   1305.41  63.026  10.355 63.702  10.246 -0.6753006     14.56787 
1 1 1 5  1  10 o 25.318  4.1336 721.813   197.204  732.099   242.492  701.724   338.876  25.946  4.8514 24.691  6.6942 1.254871       8.267278 
1 1 1 5  1  11 o 29.181  5.4696 946.941   307.493  946.941   307.493  0.0000    0.0000   29.181  5.4696 ?       ?      ?              ?        
1 1 1 5  1  12 o 34.334  6.5434 1396.29   432.921  1396.29   432.921  0.0000    0.0000   34.334  6.5434 ?       ?      ?              ?        
1 1 1 5  1  13 o 29.067  5.9445 1036.34   333.919  1036.34   333.919  0.0000    0.0000   29.067  5.9445 ?       ?      ?              ?        
1 1 1 5  1  14 o 13.290  4.3184 195.079   131.418  195.079   131.418  0.0000    0.0000   13.290  4.3184 ?       ?      ?              ?        
1 1 1 5  1  15 o 23.488  5.5025 704.647   253.956  704.647   253.956  0.0000    0.0000   23.488  5.5025 ?       ?      ?              ?        
1 1 1 5  1  16 o 18.703  5.5500 529.709   222.594  529.709   222.594  0.0000    0.0000   18.703  5.5500 ?       ?      ?              ?        
1 1 1 5  1  17 o 15.017  5.3464 394.803   202.199  394.803   202.199  0.0000    0.0000   15.017  5.3464 ?       ?      ?              ?        
1 1 1 5  1  18 o 10.234  4.5106 202.740   179.840  202.740   179.840  0.0000    0.0000   10.234  4.5106 ?       ?      ?              ?        
1 1 1 5  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  2  2  o 101.557 23.445 11752.29  4665.45  0.0000    0.0000   11752.29  4665.45  ?       ?      101.557 23.445 ?              ?        
1 1 1 5  2  3  o 198.774 44.002 69853.02  19441.92 69980.64  27484.14 69725.20  27505.93 199.057 62.200 198.491 62.257 0.5665741      88.00412 
1 1 1 5  2  4  o 70.789  7.2758 5151.95   1029.56  5337.40   1456.01  4966.49   1456.04  72.099  10.097 69.479  10.478 2.619835       14.55168 
1 1 1 5  2  5  o 72.990  7.7210 5493.17   1127.07  5546.15   1595.05  5440.34   1592.81  73.350  10.873 72.629  10.965 0.7216339      15.44206 
1 1 1 5  2  6  o 89.676  9.3780 8450.54   1681.97  8444.94   2376.65  8456.15   2380.69  89.649  13.255 89.703  13.270 -0.5474854E-01 18.75606 
1 1 1 5  2  7  o 123.493 15.061 18217.11  3644.69  18550.99  5151.32  17882.44  5157.41  125.793 20.475 121.192 22.092 4.600983       30.12116 
1 1 1 5  2  8  o 72.755  8.4998 6031.53   1206.17  5554.01   1704.80  6510.15   1706.76  68.945  12.836 76.565  11.146 -7.620209      16.99961 
1 1 1 5  2  9  o 73.413  9.1585 6562.95   1316.40  6336.58   1861.44  6789.43   1861.92  71.295  13.550 75.532  12.325 -4.237923      18.31699 
1 1 1 5  2  10 o 41.286  6.7064 2208.12   533.048  2403.08   652.924  1818.49   923.051  46.287  7.0530 36.284  11.409 10.00313       13.41284 
1 1 1 5  2  11 o 13.103  2.7265 150.873   76.036   83.733    92.452   291.212   133.665  9.8494  3.6007 16.357  4.0951 -6.508035      5.452966 
1 1 1 5  2  12 o 23.451  4.8546 616.471   220.190  616.471   220.190  0.0000    0.0000   23.451  4.8546 ?       ?      ?              ?        
1 1 1 5  2  13 o 14.819  4.2653 250.479   133.238  250.479   133.238  0.0000    0.0000   14.819  4.2653 ?       ?      ?              ?        
1 1 1 5  2  14 o 16.871  4.4521 327.581   152.406  327.581   152.406  0.0000    0.0000   16.871  4.4521 ?       ?      ?              ?        
1 1 1 5  2  15 o 6.8862  3.2336 -95.0129  113.226  -95.0129  113.226  0.0000    0.0000   6.8862  3.2336 ?       ?      ?              ?        
1 1 1 5  2  16 o 18.484  5.4351 527.455   214.288  527.455   214.288  0.0000    0.0000   18.484  5.4351 ?       ?      ?              ?        
1 1 1 5  2  17 o 8.1978  3.7012 12.248    129.001  12.248    129.001  0.0000    0.0000   8.1978  3.7012 ?       ?      ?              ?        
1 1 1 5  2  18 o 9.1405  4.1712 125.477   169.284  125.477   169.284  0.0000    0.0000   9.1405  4.1712 ?       ?      ?              ?        
1 1 1 5  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  3  3  o 143.710 26.205 27171.38  7583.29  26598.51  10725.07 27744.11  10723.72 141.880 37.302 145.540 36.815 -3.659775      52.40995 
1 1 1 5  3  4  o 108.442 11.340 12438.59  2459.42  12381.76  3475.64  12495.58  3480.67  108.184 16.063 108.700 16.010 -0.5157394     22.67974 
1 1 1 5  3  5  o 127.623 13.924 17868.53  3553.36  17493.04  5029.55  18242.74  5020.88  126.144 19.936 129.103 19.445 -2.958481      27.84870 
1 1 1 5  3  6  o 69.440  7.2351 4991.92   1004.67  4894.28   1419.98  5089.80   1421.68  68.738  10.329 70.143  10.134 -1.404884      14.47026 
1 1 1 5  3  7  o 88.938  9.5146 8531.06   1692.00  8319.36   2390.82  8743.49   2394.89  87.751  13.623 90.124  13.287 -2.372574      19.02923 
1 1 1 5  3  8  o 66.054  7.2146 4752.23   952.964  4658.83   1346.68  4845.91   1348.71  65.351  10.303 66.758  10.102 -1.407181      14.42921 
1 1 1 5  3  9  o 47.132  6.7642 2439.81   589.854  2178.95   721.968  2963.50   1022.94  44.046  8.5035 50.218  10.522 -6.171101      13.52847 
1 1 1 5  3  10 o 22.210  3.6745 518.085   153.163  465.287   186.806  626.373   267.531  20.696  4.6290 23.724  5.7078 -3.027998      7.348927 
1 1 1 5  3  11 o 28.661  4.3679 858.272   234.573  639.537   285.764  1310.12   410.720  23.546  6.0390 33.775  6.3123 -10.22890      8.735843 
1 1 1 5  3  12 o 25.181  4.1923 690.907   198.659  569.211   241.562  945.194   349.183  22.188  5.4766 28.174  6.3489 -5.986013      8.384670 
1 1 1 5  3  13 o 30.576  6.3103 1181.85   373.099  1181.85   373.099  0.0000    0.0000   30.576  6.3103 ?       ?      ?              ?        
1 1 1 5  3  14 o 22.887  5.0911 617.412   227.023  617.412   227.023  0.0000    0.0000   22.887  5.0911 ?       ?      ?              ?        
1 1 1 5  3  15 f 23.402  5.6064 713.638   258.959  713.638   258.959  0.0000    0.0000   23.402  5.6064 ?       ?      ?              ?        
1 1 1 5  3  16 o 16.825  5.3165 454.787   200.226  454.787   200.226  0.0000    0.0000   16.825  5.3165 ?       ?      ?              ?        
1 1 1 5  3  17 o 13.875  5.1456 339.447   189.929  339.447   189.929  0.0000    0.0000   13.875  5.1456 ?       ?      ?              ?        
1 1 1 5  3  18 o 7.9981  3.7825 47.963    159.920  47.963    159.920  0.0000    0.0000   7.9981  3.7825 ?       ?      ?              ?        
1 1 1 5  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  4  4  o 153.057 17.119 26649.10  5240.02  26344.50  7410.14  26953.77  7410.87  152.063 24.365 154.052 24.053 -1.988266      34.23774 
1 1 1 5  4  5  o 101.243 10.494 10711.02  2124.96  10696.77  3003.44  10725.29  3006.85  101.175 14.843 101.311 14.840 -0.1356812     20.98865 
1 1 1 5  4  6  o 105.632 11.645 12315.81  2460.20  12369.44  3479.34  12262.19  3479.15  105.886 16.430 105.379 16.508 0.5070419      23.29041 
1 1 1 5  4  7  o 76.295  8.0736 6158.90   1231.84  6075.20   1742.67  6242.48   1741.49  75.745  11.504 76.844  11.331 -1.099281      16.14714 
1 1 1 5  4  8  o 44.263  6.7691 2456.89   574.884  3059.95   704.236  1252.31   995.305  54.344  6.4794 34.181  11.887 20.16273       13.53824 
1 1 1 5  4  9  o 70.355  12.174 6869.96   1634.11  5519.35   1999.71  9584.66   2835.07  61.856  16.032 78.853  18.326 -16.99720      24.34871 
1 1 1 5  4  10 o 28.107  4.4025 858.543   230.352  813.120   281.826  949.965   399.825  27.323  5.3487 28.892  6.9943 -1.568541      8.805072 
1 1 1 5  4  11 o 19.787  3.5896 410.833   136.013  348.217   164.963  543.773   240.366  17.723  4.6102 21.850  5.5033 -4.127256      7.179165 
1 1 1 5  4  12 o 34.022  5.7544 1444.61   370.245  1213.46   452.412  1913.37   644.263  30.749  7.4377 37.295  8.7825 -6.546181      11.50873 
1 1 1 5  4  13 o 22.205  4.1883 621.789   182.271  615.741   221.348  634.531   321.252  22.719  5.0064 21.692  6.7159 1.027853       8.376589 
1 1 1 5  4  14 o 17.353  3.3188 289.146   123.518  127.808   151.242  612.287   214.042  11.855  4.5481 22.850  4.8344 -10.99521      6.637574 
1 1 1 5  4  15 o 15.612  4.8468 304.032   167.189  304.032   167.189  0.0000    0.0000   15.612  4.8468 ?       ?      ?              ?        
1 1 1 5  4  16 o 7.4271  3.4418 -34.7420  121.591  -34.7420  121.591  0.0000    0.0000   7.4271  3.4418 ?       ?      ?              ?        
1 1 1 5  4  17 o 8.2845  3.7947 13.703    141.841  13.703    141.841  0.0000    0.0000   8.2845  3.7947 ?       ?      ?              ?        
1 1 1 5  4  18 o 11.078  4.9539 430.980   225.020  430.980   225.020  0.0000    0.0000   11.078  4.9539 ?       ?      ?              ?        
1 1 1 5  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  5  4  o 52.221  6.8729 2803.08   665.112  2969.92   1151.72  2719.60   814.692  52.704  11.268 51.739  7.8731 0.9648781      13.74585 
1 1 1 5  5  5  o 84.622  12.694 9032.78   2046.97  4315.72   3539.40  11403.44  2509.16  64.100  22.409 105.145 11.932 -41.04570      25.38770 
1 1 1 5  5  6  o 30.795  3.4794 957.018   214.291  948.195   302.483  965.907   303.627  30.651  4.9342 30.938  4.9070 -0.2865162     6.958841 
1 1 1 5  5  7  o 117.307 18.034 17120.41  3973.95  13151.97  4868.10  25047.21  6880.16  98.850  24.695 135.763 26.289 -36.91348      36.06861 
1 1 1 5  5  8  o 22.332  3.3855 478.205   142.195  348.129   173.883  740.797   247.059  18.132  4.7413 26.532  4.8340 -8.400433      6.771061 
1 1 1 5  5  9  o 32.894  4.4786 1071.83   278.826  769.940   340.349  1687.95   486.222  26.170  6.5251 39.618  6.1364 -13.44793      8.957241 
1 1 1 5  5  10 o 12.705  2.8577 160.633   78.393   150.612   96.107   180.555   135.510  12.047  3.6632 13.363  4.3872 -1.315761      5.715472 
1 1 1 5  5  11 o 28.040  4.6266 984.586   255.350  1153.85   312.536  644.732   442.852  32.841  4.7583 23.238  7.9361 9.602781       9.253252 
1 1 1 5  5  12 o 25.965  4.3605 936.495   240.606  1192.05   294.934  428.013   416.030  32.874  4.4858 19.057  7.4788 13.81712       8.720959 
1 1 1 5  5  13 o 21.175  4.1040 553.640   172.009  536.756   209.574  588.489   301.092  21.205  5.0195 21.145  6.4944 0.5946541E-01  8.208067 
1 1 1 5  5  14 o 32.342  6.3862 1689.66   424.683  1702.38   519.834  1664.14   736.408  34.968  7.6461 29.717  10.231 5.250872       12.77249 
1 1 1 5  5  15 o 19.712  4.1135 547.038   178.863  621.269   218.751  397.303   310.683  22.376  5.0124 17.048  6.5238 5.327909       8.227087 
1 1 1 5  5  16 o 9.5468  4.0737 82.679    137.329  82.679    137.329  0.0000    0.0000   9.5468  4.0737 ?       ?      ?              ?        
1 1 1 5  5  17 o 7.5349  3.5553 -40.2073  139.829  -40.2073  139.829  0.0000    0.0000   7.5349  3.5553 ?       ?      ?              ?        
1 1 1 5  5  18 f 9.7226  4.4042 261.160   184.413  261.160   184.413  0.0000    0.0000   9.7226  4.4042 ?       ?      ?              ?        
1 1 1 5  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  6  5  o 80.065  13.127 7429.21   2098.65  5291.82   2966.72  9570.13   2969.17  67.440  20.319 92.691  16.627 -25.25055      26.25489 
1 1 1 5  6  6  o 59.295  8.7897 4166.04   966.967  4864.59   1183.75  2765.15   1676.35  68.724  8.6124 49.867  15.325 18.85693       17.57944 
1 1 1 5  6  7  o 40.347  5.9867 1841.87   448.069  2019.52   548.060  1483.78   778.099  44.264  6.1908 36.430  10.249 7.833454       11.97330 
1 1 1 5  6  8  o 46.739  6.4093 2281.92   556.475  1857.49   682.217  3125.74   961.940  40.769  8.6355 52.709  9.4733 -11.93996      12.81858 
1 1 1 5  6  9  o 33.851  5.3788 1386.36   346.175  1480.31   424.297  1199.33   598.688  36.896  5.7500 30.807  9.0920 6.088654       10.75764 
1 1 1 5  6  10 o 35.814  5.9867 1779.33   432.442  2092.15   530.179  1157.56   747.467  43.047  6.1581 28.581  10.268 14.46595       11.97332 
1 1 1 5  6  11 o 27.765  4.3496 821.806   226.569  644.768   276.612  1182.71   394.946  23.646  5.8751 31.885  6.4155 -8.238699      8.699147 
1 1 1 5  6  12 o 15.751  3.2027 305.446   113.687  387.734   137.453  127.257   202.268  18.694  3.8059 12.808  5.1521 5.885962       6.405401 
1 1 1 5  6  13 o 15.581  3.3019 272.373   105.011  267.511   125.114  283.961   193.164  15.414  4.0175 15.747  5.2413 -0.3329525     6.603861 
1 1 1 5  6  14 o 28.024  5.2331 1058.40   285.741  984.888   349.408  1206.84   496.488  27.635  6.4409 28.413  8.2497 -0.7785034     10.46628 
1 1 1 5  6  15 o 14.641  3.5698 254.938   123.903  234.162   156.803  289.475   202.169  14.022  4.7226 15.260  5.3545 -1.237669      7.139608 
1 1 1 5  6  16 f 18.364  4.5025 631.983   201.238  620.413   246.201  655.274   349.304  19.370  5.8572 17.358  6.8399 2.011766       9.005041 
1 1 1 5  6  17 o 8.8380  2.8730 59.092    115.153  55.755    150.101  63.866    179.523  8.6464  3.9387 9.0297  4.1836 -0.3832130     5.745940 
1 1 1 5  6  18 o 11.037  4.9017 379.975   216.358  379.975   216.358  0.0000    0.0000   11.037  4.9017 ?       ?      ?              ?        
1 1 1 5  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  7  5  o 82.282  19.755 8037.38   3209.97  8037.38   3209.97  0.0000    0.0000   82.282  19.755 ?       ?      ?              ?        
1 1 1 5  7  6  o 99.940  18.755 13617.69  3844.20  11766.66  5437.68  15467.14  5435.35  91.686  27.482 108.195 25.530 -16.50955      37.51096 
1 1 1 5  7  7  o 44.017  6.7924 2424.87   576.042  3013.82   704.857  1240.46   999.571  53.927  6.5353 34.107  11.910 19.81995       13.58483 
1 1 1 5  7  8  o 30.975  4.5441 997.906   260.548  899.883   318.528  1196.10   452.929  28.952  5.7039 32.999  7.0753 -4.046980      9.088121 
1 1 1 5  7  9  o 43.874  6.9170 2331.56   566.831  2069.89   694.487  2853.72   981.034  41.256  8.6912 46.492  10.763 -5.236198      13.83408 
1 1 1 5  7  10 o 37.781  5.7107 1600.52   404.484  1226.81   495.319  2348.59   700.789  31.715  7.8509 43.846  8.2953 -12.13101      11.42139 
1 1 1 5  7  11 o 16.070  3.1243 305.905   106.546  371.122   131.627  181.965   181.456  18.450  3.6959 13.691  5.0384 4.759648       6.248614 
1 1 1 5  7  12 o 17.302  3.3557 371.159   122.451  440.563   147.990  220.489   218.049  19.947  3.8489 14.657  5.4980 5.290130       6.711392 
1 1 1 5  7  13 o 21.351  3.8639 600.124   173.805  712.080   211.602  367.956   304.717  25.336  4.1760 17.365  6.5023 7.970102       7.727801 
1 1 1 5  7  14 o 13.426  3.3332 199.647   105.666  199.375   126.535  200.272   192.071  13.213  4.2319 13.640  5.1509 -0.4264507     6.666404 
1 1 1 5  7  15 o 12.322  3.3693 151.483   115.572  76.393    143.291  291.262   195.501  10.088  4.2259 14.555  5.2489 -4.466690      6.738629 
1 1 1 5  7  16 o 9.2808  2.9093 11.177    115.710  111.943   144.321  -170.1654 193.608  10.438  4.2946 8.1235  3.9259 2.314613       5.818640 
1 1 1 5  7  17 o 7.2236  2.4949 -91.3761  117.180  -42.2336  142.749  -192.9071 205.184  7.2275  3.4614 7.2197  3.5941 0.7854462E-02  4.989831 
1 1 1 5  8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  8  6  o 71.192  17.935 6361.81   2552.39  6361.81   2552.39  0.0000    0.0000   71.192  17.935 ?       ?      ?              ?        
1 1 1 5  8  7  f 28.482  7.0764 883.072   401.312  0.0000    0.0000   883.072   401.312  ?       ?      28.482  7.0764 ?              ?        
1 1 1 5  8  8  o 27.136  7.0212 828.899   383.964  0.0000    0.0000   828.899   383.964  ?       ?      27.136  7.0212 ?              ?        
1 1 1 5  8  9  o 39.292  7.2947 1944.19   580.554  1930.14   819.360  1958.35   822.706  39.143  10.319 39.441  10.313 -0.2980194     14.58934 
1 1 1 5  8  10 o 33.988  6.6655 1541.26   468.940  1542.45   663.193  1540.07   663.170  34.003  9.4251 33.973  9.4278 0.3015137E-01  13.33099 
1 1 1 5  8  11 o 22.740  4.6643 622.896   225.230  567.365   318.623  678.359   318.424  21.726  6.6821 23.755  6.5094 -2.028538      9.328571 
1 1 1 5  8  12 o 17.438  3.8775 365.126   152.014  315.017   218.347  412.259   211.763  16.384  5.5726 18.491  5.3933 -2.106165      7.755079 
1 1 1 5  8  13 o 13.253  3.3395 186.031   112.164  219.008   160.288  154.387   157.012  14.001  4.7745 12.505  4.6704 1.495421       6.679000 
1 1 1 5  8  14 f 23.800  5.6272 947.501   318.978  1081.58   450.429  812.612   451.781  25.720  7.9505 21.879  7.9654 3.841389       11.25431 
1 1 1 5  8  15 o 20.210  4.5104 621.605   195.330  550.615   238.472  766.330   340.495  19.384  5.7429 21.036  6.9566 -1.652927      9.020832 
1 1 1 5  8  16 o 11.406  3.3562 175.319   124.276  184.095   151.608  157.342   216.977  11.526  4.5173 11.286  4.9650 0.2405434      6.712489 
1 1 1 5  8  17 o 12.128  3.7494 359.763   167.247  303.144   207.102  465.912   283.569  11.718  5.0015 12.538  5.5873 -0.8198786     7.498878 
1 1 1 5  9  0  o 64.206  18.604 5141.22   2073.09  5141.22   2073.09  0.0000    0.0000   64.206  18.604 64.206  18.604 -0.000000      0.000000 
1 1 1 5  9  1  o 174.433 52.340 50063.91  19715.73 0.0000    0.0000   50063.91  19715.73 ?       ?      174.433 52.340 ?              ?        
1 1 1 5  9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  9  7  o 37.232  9.1054 1579.58   672.399  0.0000    0.0000   1579.58   672.399  ?       ?      37.232  9.1054 ?              ?        
1 1 1 5  9  8  o 44.174  13.096 3006.69   1239.76  0.0000    0.0000   3006.69   1239.76  ?       ?      44.174  13.096 ?              ?        
1 1 1 5  9  9  o 21.243  4.3297 518.785   194.235  543.373   272.665  493.452   276.761  21.741  6.0495 20.745  6.1960 0.9957752      8.659476 
1 1 1 5  9  10 o 29.943  5.7140 1113.34   350.151  1090.88   494.087  1136.00   496.295  29.618  8.1053 30.268  8.0562 -0.6502457     11.42798 
1 1 1 5  9  11 o 32.976  7.3314 1801.02   543.578  1604.92   768.200  1997.67   769.271  30.752  10.453 35.199  10.283 -4.446501      14.66275 
1 1 1 5  9  12 o 18.469  4.1492 429.218   176.459  529.305   246.842  324.612   252.351  20.487  5.7755 16.450  5.9586 4.037222       8.298311 
1 1 1 5  9  13 o 12.660  3.2144 160.454   110.022  52.612    171.293  236.188   143.547  10.907  4.5973 14.413  4.4938 -3.505329      6.428749 
1 1 1 5  9  14 o 10.408  2.8767 63.384    100.986  -128.3691 162.769  183.386   128.764  8.1582  3.8453 12.659  4.2795 -4.500637      5.753311 
1 1 1 5  9  15 o 10.151  2.9317 -30.9079  110.938  -244.7713 144.343  277.745   173.406  6.3594  3.1387 13.942  4.9525 -7.583113      5.863331 
1 1 1 5  9  16 o 10.416  3.3099 97.430    144.050  74.808    202.573  120.569   204.882  10.143  4.6032 10.689  4.7573 -0.5459337     6.619769 
1 1 1 5  9  17 o 10.417  3.3399 120.838   165.638  424.872   235.644  -176.0982 232.876  12.987  5.4279 7.8472  3.8934 5.139724       6.679854 
1 1 1 5  10 0  o 149.776 58.541 42535.81  16761.69 42535.81  16761.69 0.0000    0.0000   149.776 58.541 149.776 58.541 -0.000000      0.000000 
1 1 1 5  10 1  o 105.484 19.128 14505.37  4057.41  15116.66  5741.42  13895.50  5734.68  108.133 26.706 102.835 27.392 5.297806       38.25608 
1 1 1 5  10 2  o 77.397  18.363 6989.87   2799.73  6989.87   2799.73  0.0000    0.0000   77.397  18.363 ?       ?      ?              ?        
1 1 1 5  10 3  o 31.083  7.4295 1025.15   455.587  1025.15   455.587  0.0000    0.0000   31.083  7.4295 ?       ?      ?              ?        
1 1 1 5  10 4  o 28.997  7.0248 892.754   403.099  892.754   403.099  0.0000    0.0000   28.997  7.0248 ?       ?      ?              ?        
1 1 1 5  10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 5  10 7  o 58.132  17.520 5482.22   2205.58  0.0000    0.0000   5482.22   2205.58  ?       ?      58.132  17.520 ?              ?        
1 1 1 5  10 8  o 38.671  10.308 1923.98   811.779  0.0000    0.0000   1923.98   811.779  ?       ?      38.671  10.308 ?              ?        
1 1 1 5  10 9  o 25.562  6.9586 770.067   365.306  0.0000    0.0000   770.067   365.306  ?       ?      25.562  6.9586 ?              ?        
1 1 1 5  10 10 o 34.850  7.5441 1916.33   575.435  1864.47   811.015  1968.91   816.588  34.304  10.679 35.396  10.659 -1.092281      15.08829 
1 1 1 5  10 11 o 26.655  5.6149 996.858   322.652  1075.86   457.932  918.970   454.684  27.822  7.8747 25.487  8.0061 2.334240       11.22982 
1 1 1 5  10 12 o 10.744  3.0541 75.282    99.476   54.408    130.713  104.009   153.341  9.9907  4.0961 11.496  4.5313 -1.505661      6.108211 
1 1 1 5  10 13 o 11.352  3.2593 87.859    117.142  129.617   159.528  38.998    172.566  12.016  4.6546 10.688  4.5637 1.328604       6.518674 
1 1 1 5  10 14 o 10.019  3.0497 30.597    111.669  -12.2180  162.423  68.976    153.778  9.5000  4.2314 10.538  4.3929 -1.038219      6.099401 
1 1 1 5  10 15 o 10.924  3.3327 141.766   131.910  104.573   176.647  188.649   198.329  10.272  4.5003 11.577  4.9167 -1.305540      6.665349 
1 1 1 5  10 16 o 11.351  3.5922 217.130   167.678  214.959   238.665  219.245   235.630  11.326  5.0807 11.376  5.0796 -0.5011559E-01 7.184459 
1 1 1 5  10 17 o 11.406  3.6133 487.354   185.891  540.098   227.320  380.885   322.969  12.904  5.3569 9.9067  4.8503 2.997706       7.226515 
1 1 1 5  11 0  o 109.800 25.494 17742.47  4966.17  17692.40  7024.35  17792.51  7022.11  109.535 36.106 110.064 36.002 0.000000       0.000000 
1 1 1 5  11 1  f 59.696  8.0542 3787.78   889.936  3748.57   1091.25  3865.64   1537.73  60.271  9.0529 59.122  13.324 1.148472       16.10836 
1 1 1 5  11 2  o 68.842  16.190 5443.06   2191.68  5443.06   2191.68  0.0000    0.0000   68.842  16.190 ?       ?      ?              ?        
1 1 1 5  11 3  o 43.129  9.9966 2016.00   845.456  2016.00   845.456  0.0000    0.0000   43.129  9.9966 ?       ?      ?              ?        
1 1 1 5  11 4  o 69.388  18.150 6345.60   2547.56  6345.60   2547.56  0.0000    0.0000   69.388  18.150 ?       ?      ?              ?        
1 1 1 5  11 5  o 19.133  5.2471 387.421   206.806  387.421   206.806  0.0000    0.0000   19.133  5.2471 ?       ?      ?              ?        
1 1 1 5  11 6  o 40.647  10.078 1934.12   815.194  1934.12   815.194  0.0000    0.0000   40.647  10.078 ?       ?      ?              ?        
1 1 1 5  11 7  o 18.065  5.2738 359.951   202.409  359.951   202.409  0.0000    0.0000   18.065  5.2738 ?       ?      ?              ?        
1 1 1 5  11 8  o 28.023  5.1644 931.575   299.932  1192.39   425.533  674.084   422.817  32.110  6.8359 23.936  7.7431 8.173407       10.32886 
1 1 1 5  11 9  o 35.962  7.0695 1801.20   547.352  1301.05   774.246  2300.91   773.899  30.184  10.485 41.740  9.4857 -11.55600      14.13902 
1 1 1 5  11 10 o 21.771  4.0546 536.208   201.639  194.672   279.177  908.677   291.545  15.299  6.0874 28.242  5.3576 -12.94234      8.109280 
1 1 1 5  11 11 o 13.333  2.7441 203.096   98.032   336.275   119.002  -78.1347  172.928  17.470  3.5275 9.1973  4.2044 8.272231       5.488143 
1 1 1 5  11 12 o 17.734  3.5144 410.843   137.621  505.132   166.938  210.839   243.134  21.044  4.1139 14.424  5.6992 6.620233       7.028837 
1 1 1 5  11 13 o 13.747  3.4610 216.397   115.629  221.720   139.504  204.714   206.681  13.758  4.4474 13.736  5.3044 0.2196789E-01  6.922096 
1 1 1 5  11 14 o 13.939  3.5159 259.053   137.430  355.529   168.719  68.834    236.910  16.382  4.8243 11.495  5.1159 4.887217       7.031802 
1 1 1 5  11 15 o 9.8930  2.9197 67.770    107.563  164.617   131.492  -128.1057 187.002  11.471  4.2761 8.3151  3.9768 3.155727       5.839497 
1 1 1 5  11 16 o 9.4867  3.0226 111.054   123.710  154.849   151.717  24.168    213.698  10.042  4.2834 8.9312  4.2658 1.111161       6.045225 
1 1 1 5  11 17 o 8.3883  2.8489 99.682    141.319  144.426   177.935  23.243    232.570  8.7534  4.0923 8.0233  3.9645 0.7300911      5.697726 
1 1 1 5  12 0  o 108.135 25.992 18009.20  5038.28  18041.92  7120.67  17976.38  7129.75  108.335 36.704 107.935 36.812 -0.000000      0.000000 
1 1 1 5  12 1  o 112.238 12.859 14561.79  2886.21  14331.58  4081.28  14792.10  4082.16  111.214 18.349 113.261 18.021 -2.047737      25.71837 
1 1 1 5  12 2  o 115.593 22.089 17581.49  4920.47  17581.49  4920.47  0.0000    0.0000   115.593 22.089 ?       ?      ?              ?        
1 1 1 5  12 3  o 89.104  31.301 17450.90  6909.68  17450.90  6909.68  0.0000    0.0000   89.104  31.301 ?       ?      ?              ?        
1 1 1 5  12 4  o 77.452  22.648 9357.69   3730.14  9357.69   3730.14  0.0000    0.0000   77.452  22.648 ?       ?      ?              ?        
1 1 1 5  12 5  o 56.533  14.912 4214.44   1710.25  4214.44   1710.25  0.0000    0.0000   56.533  14.912 ?       ?      ?              ?        
1 1 1 5  12 6  o 35.097  9.1950 1521.63   653.172  1521.63   653.172  0.0000    0.0000   35.097  9.1950 ?       ?      ?              ?        
1 1 1 5  12 7  o 40.930  10.882 2157.29   906.175  2157.29   906.175  0.0000    0.0000   40.930  10.882 ?       ?      ?              ?        
1 1 1 5  12 8  o 18.381  5.4094 375.011   212.187  375.011   212.187  0.0000    0.0000   18.381  5.4094 ?       ?      ?              ?        
1 1 1 5  12 9  o 23.256  4.6608 655.852   229.517  777.252   326.243  536.888   322.953  25.418  6.4168 21.094  6.7613 4.323435       9.321524 
1 1 1 5  12 10 o 21.308  4.3687 561.495   209.827  796.834   298.123  330.474   295.375  25.538  5.9477 17.078  6.4005 8.459894       8.737312 
1 1 1 5  12 11 o 6.7629  2.2468 -96.5154  76.799   -67.7910  98.494   -141.0639 122.660  6.7253  3.1099 6.8004  3.2436 -0.7507849E-01 4.493571 
1 1 1 5  12 12 o 21.648  3.7892 644.035   188.155  867.139   229.184  182.751   329.544  28.105  4.0772 15.190  6.3880 12.91528       7.578326 
1 1 1 5  12 13 o 15.830  3.3397 332.866   129.234  441.838   154.693  81.089    235.138  19.459  4.1040 12.200  5.2700 7.259015       6.679462 
1 1 1 5  12 14 o 13.930  3.5118 238.046   118.606  190.995   146.273  328.365   202.660  12.517  4.5362 15.342  5.3623 -2.824717      7.023586 
1 1 1 5  12 15 o 17.404  3.6827 587.399   194.805  859.732   237.931  33.613    339.290  23.840  5.1413 10.967  5.2742 12.87334       7.365466 
1 1 1 5  12 16 o 10.484  3.1449 168.080   125.318  -4.0521   173.792  354.522   180.872  8.0984  3.8622 12.870  4.9644 -4.771878      6.289773 
1 1 1 5  13 0  o 45.926  10.025 2772.59   805.925  2744.83   1137.20  2800.60   1142.32  45.608  14.220 46.244  14.135 -0.000000      0.000000 
1 1 1 5  13 1  o 53.144  5.7633 2984.45   612.485  2924.64   865.264  3044.53   867.107  52.583  8.2276 53.705  8.0729 -1.121590      11.52670 
1 1 1 5  13 2  o 94.442  17.301 14076.14  3221.91  14020.54  3944.89  14187.53  5583.71  101.406 20.161 87.479  28.122 13.92746       34.60208 
1 1 1 5  13 3  o 61.359  16.072 4943.77   1995.86  4943.77   1995.86  0.0000    0.0000   61.359  16.072 ?       ?      ?              ?        
1 1 1 5  13 4  o 14.721  4.4335 224.392   141.268  224.392   141.268  0.0000    0.0000   14.721  4.4335 ?       ?      ?              ?        
1 1 1 5  13 5  o 41.084  10.945 2191.53   915.489  2191.53   915.489  0.0000    0.0000   41.084  10.945 ?       ?      ?              ?        
1 1 1 5  13 6  o 33.138  8.6577 1335.65   580.116  1335.65   580.116  0.0000    0.0000   33.138  8.6577 ?       ?      ?              ?        
1 1 1 5  13 7  o 35.672  10.353 1840.04   782.018  1840.04   782.018  0.0000    0.0000   35.672  10.353 ?       ?      ?              ?        
1 1 1 5  13 8  o 36.545  10.313 1848.45   786.647  1848.45   786.647  0.0000    0.0000   36.545  10.313 ?       ?      ?              ?        
1 1 1 5  13 9  o 28.904  5.0069 1035.41   328.431  1640.67   466.202  439.065   462.759  37.746  6.1755 20.061  7.8830 17.68494       10.01387 
1 1 1 5  13 10 o 23.719  4.5086 710.136   245.333  1120.41   348.904  308.914   345.034  30.389  5.9536 17.048  6.7724 13.34119       9.017183 
1 1 1 5  13 11 o 19.062  4.2426 454.955   180.525  462.117   255.538  447.819   255.063  19.202  5.9971 18.921  6.0029 0.2809200      8.485266 
1 1 1 5  13 12 o 28.163  6.4288 1300.70   412.410  1271.17   579.536  1331.01   587.007  27.837  9.0696 28.488  9.1139 -0.6511440     12.85769 
1 1 1 5  13 13 o 15.711  3.6189 316.069   138.473  397.165   174.039  176.165   228.593  17.994  4.7619 13.429  5.4507 4.564739       7.237825 
1 1 1 5  13 14 o 18.064  4.7470 712.036   218.750  588.687   267.230  962.557   380.838  17.026  6.1372 19.101  7.2436 -2.075165      9.493939 
1 1 1 5  13 15 o 10.846  3.3352 151.939   136.230  187.032   166.889  81.859    235.836  11.341  4.6365 10.351  4.7954 0.9905605      6.670328 
1 1 1 5  13 16 o 9.9086  3.2071 149.496   131.310  110.662   154.466  250.684   249.340  9.1836  4.1058 10.634  4.9280 -1.449947      6.414263 
1 1 1 5  14 0  o 31.415  7.1034 1302.97   400.569  1079.48   567.127  1525.46   565.857  27.453  10.778 35.376  9.2560 0.000000       0.000000 
1 1 1 5  14 1  o 73.823  9.0092 6506.86   1304.14  6554.64   1843.82  6459.03   1844.85  74.705  12.341 72.941  13.129 1.763985       18.01843 
1 1 1 5  14 2  o 50.582  7.6194 3030.35   719.148  3159.86   879.556  2769.18   1249.06  54.054  8.1359 47.110  12.885 6.944729       15.23880 
1 1 1 5  14 3  o 13.135  2.6241 187.760   71.785   217.080   87.835   128.785   124.574  14.359  3.1455 11.911  4.2012 2.447745       5.248250 
1 1 1 5  14 4  o 35.596  9.4243 1596.79   681.492  1596.79   681.492  0.0000    0.0000   35.596  9.4243 ?       ?      ?              ?        
1 1 1 5  14 5  f 21.402  5.8363 511.917   256.708  511.917   256.708  0.0000    0.0000   21.402  5.8363 ?       ?      ?              ?        
1 1 1 5  14 6  o 15.670  4.9554 265.499   173.923  265.499   173.923  0.0000    0.0000   15.670  4.9554 ?       ?      ?              ?        
1 1 1 5  14 7  o 41.182  12.667 2766.07   1144.97  2766.07   1144.97  0.0000    0.0000   41.182  12.667 ?       ?      ?              ?        
1 1 1 5  14 8  o 25.678  7.3394 839.718   395.783  839.718   395.783  0.0000    0.0000   25.678  7.3394 ?       ?      ?              ?        
1 1 1 5  14 9  o 31.943  10.299 1745.32   748.500  1745.32   748.500  0.0000    0.0000   31.943  10.299 ?       ?      ?              ?        
1 1 1 5  14 10 o 7.8038  2.5086 -66.2276  87.540   -4.2868   122.882  -130.0543 124.739  8.6151  3.7645 6.9924  3.3168 1.622768       5.017216 
1 1 1 5  14 11 o 29.500  5.9408 1300.69   405.138  1858.63   571.671  737.736   574.241  36.709  8.0116 22.291  8.7742 14.41767       11.88160 
1 1 1 5  14 12 o 16.237  4.0463 327.536   171.367  473.943   244.726  186.679   240.042  18.797  5.8686 13.676  5.5724 5.121267       8.092696 
1 1 1 5  14 13 o 16.834  4.5473 491.294   217.427  631.637   314.867  363.378   300.605  18.700  6.6702 14.967  6.1823 3.733057       9.094617 
1 1 1 5  14 14 o 9.6730  3.1100 -31.8373  130.051  149.263   209.407  -145.5433 165.930  11.664  5.0052 7.6817  3.6928 3.982554       6.220020 
1 1 1 5  14 15 o 10.682  3.5040 202.109   180.052  150.255   260.947  249.232   248.755  10.253  4.8436 11.110  5.0647 -0.8576078     7.007991 
1 1 1 5  14 16 o 8.7585  2.9669 173.742   158.298  280.261   198.282  -13.4697  262.867  9.7307  4.4680 7.7862  3.9047 1.944523       5.933806 
1 1 1 5  15 0  o 57.780  14.787 5512.34   1570.73  5723.22   2221.16  5301.39   2221.54  59.709  20.638 55.850  21.182 0.000000       0.000000 
1 1 1 5  15 1  o 47.834  5.5168 2552.15   527.733  2586.45   746.106  2517.80   746.549  48.195  7.7405 47.474  7.8627 0.7208672      11.03350 
1 1 1 5  15 2  o 21.089  3.5760 499.087   143.290  528.729   174.831  438.429   250.095  22.259  4.0775 19.919  5.8758 2.339380       7.151976 
1 1 1 5  15 3  o 26.404  4.1919 792.306   209.814  828.529   256.811  719.592   363.854  28.005  4.5851 24.804  7.0190 3.201435       8.383845 
1 1 1 5  15 4  o 26.579  4.8952 806.839   262.872  831.580   370.816  781.844   372.707  27.010  6.8534 26.148  6.9916 0.8617477      9.790359 
1 1 1 5  15 5  o 27.325  7.3951 913.320   413.997  913.320   413.997  0.0000    0.0000   27.325  7.3951 ?       ?      ?              ?        
1 1 1 5  15 6  o 30.367  8.2984 1164.53   518.339  1164.53   518.339  0.0000    0.0000   30.367  8.2984 ?       ?      ?              ?        
1 1 1 5  15 7  o 40.756  14.371 3565.36   1457.64  3565.36   1457.64  0.0000    0.0000   40.756  14.371 ?       ?      ?              ?        
1 1 1 5  15 8  o 8.0369  3.5283 -15.0322  109.064  -15.0322  109.064  0.0000    0.0000   8.0369  3.5283 ?       ?      ?              ?        
1 1 1 5  15 9  o 10.032  3.9652 73.932    117.726  73.932    117.726  0.0000    0.0000   10.032  3.9652 ?       ?      ?              ?        
1 1 1 5  15 10 o 15.769  3.8691 293.415   149.330  314.352   210.521  272.211   211.854  16.195  5.4720 15.344  5.4715 0.8514566      7.738224 
1 1 1 5  15 11 o 27.530  4.8143 1015.08   329.122  1783.97   469.097  269.660   461.885  37.965  6.1779 17.095  7.3853 20.87010       9.628555 
1 1 1 5  15 12 o 11.826  3.2935 76.884    120.139  275.429   194.085  -46.4462  152.967  14.891  5.2448 8.7608  3.9851 6.129905       6.587034 
1 1 1 5  15 13 o 16.721  3.9951 434.361   196.187  834.337   281.183  54.941    273.862  22.360  6.1126 11.081  5.1457 11.27916       7.990113 
1 1 1 5  15 14 o 9.9778  3.1964 65.054    136.791  39.214    185.089  96.156    203.061  9.5542  4.3605 10.402  4.6748 -0.8473663     6.392783 
1 1 1 5  15 15 o 9.9552  3.1591 110.668   153.064  -230.6574 245.358  328.138   195.847  7.7016  3.8490 12.209  5.0106 -4.507267      6.318281 
1 1 1 5  16 0  o 44.949  11.278 3186.98   923.435  3270.58   1306.39  3103.50   1305.48  45.937  15.805 43.961  16.092 0.000000       0.000000 
1 1 1 5  16 1  o 26.584  3.3780 756.497   175.628  806.174   248.807  707.161   247.948  27.729  4.4864 25.440  5.0514 2.289000       6.756089 
1 1 1 5  16 2  o 34.568  5.4232 1429.54   354.285  1557.51   432.966  1170.21   616.332  38.179  5.6703 30.958  9.2463 7.220654       10.84645 
1 1 1 5  16 3  o 49.511  8.1939 3363.23   786.771  3581.83   963.227  2925.01   1363.77  55.293  8.7103 43.730  13.881 11.56298       16.38772 
1 1 1 5  16 4  o 23.457  4.5369 648.422   219.272  685.470   308.460  610.576   311.762  24.168  6.3126 22.745  6.5180 1.422359       9.073784 
1 1 1 5  16 5  o 29.950  5.7875 1134.49   357.839  1237.78   504.845  1030.20   507.284  31.480  8.0015 28.420  8.3641 3.060160       11.57504 
1 1 1 5  16 6  o 37.902  11.705 2337.77   976.501  2337.77   976.501  0.0000    0.0000   37.902  11.705 ?       ?      ?              ?        
1 1 1 5  16 7  o 28.810  8.3401 1133.66   508.103  1133.66   508.103  0.0000    0.0000   28.810  8.3401 ?       ?      ?              ?        
1 1 1 5  16 8  o 30.954  9.6590 1534.59   663.035  1534.59   663.035  0.0000    0.0000   30.954  9.6590 ?       ?      ?              ?        
1 1 1 5  16 9  o 15.813  5.1983 288.898   190.229  288.898   190.229  0.0000    0.0000   15.813  5.1983 ?       ?      ?              ?        
1 1 1 5  16 10 o 18.263  6.0049 414.155   253.833  414.155   253.833  0.0000    0.0000   18.263  6.0049 ?       ?      ?              ?        
1 1 1 5  16 11 o 13.527  3.6139 189.774   138.533  294.047   199.100  91.915    192.879  15.397  5.3187 11.658  4.8940 3.738959       7.227735 
1 1 1 5  16 12 o 12.982  3.6246 210.895   143.545  282.347   193.063  122.567   214.656  14.258  5.2046 11.707  5.0461 2.550696       7.249236 
1 1 1 5  16 13 o 15.825  4.1366 396.629   203.189  754.286   292.278  62.104    282.668  20.422  6.4196 11.229  5.2187 9.193197       8.273239 
1 1 1 5  16 14 o 8.7043  2.9360 -58.2961  147.024  -227.3970 214.312  92.042    202.073  7.6074  3.7675 9.8012  4.5041 -2.193819      5.872022 
1 1 1 5  16 15 o 9.2080  3.1302 111.329   173.853  -70.6391  255.541  268.129   237.211  8.1456  4.0477 10.270  4.7758 -2.124785      6.260350 
1 1 1 5  17 0  o 37.378  9.5027 2211.57   650.981  2293.70   922.720  2130.19   918.548  38.498  13.300 36.259  13.576 0.000000       0.000000 
1 1 1 5  17 1  o 45.998  8.9278 3607.83   858.274  3778.78   1050.70  3265.02   1487.89  52.022  10.461 39.973  14.470 12.04950       17.85568 
1 1 1 5  17 2  o 17.104  3.1612 332.702   106.792  364.412   130.007  266.917   187.256  18.414  3.6590 15.794  5.1559 2.619857       6.322311 
1 1 1 5  17 3  f 33.605  5.4070 1398.66   346.639  1497.81   423.735  1198.05   602.702  36.904  5.7411 30.307  9.1643 6.596928       10.81407 
1 1 1 5  17 4  o 45.608  10.883 4099.42   1179.27  4257.61   1664.89  3940.15   1670.59  46.823  15.378 44.394  15.402 2.429848       21.76509 
1 1 1 5  17 5  o 17.106  3.7544 332.757   141.869  338.947   199.237  326.392   202.059  17.247  5.2805 16.965  5.3384 0.2814407      7.508831 
1 1 1 5  17 6  o 19.065  4.0753 428.976   169.292  471.413   237.464  385.116   241.414  19.968  5.6772 18.163  5.8483 1.805161       8.150701 
1 1 1 5  17 7  o 13.852  4.8496 205.293   165.794  205.293   165.794  0.0000    0.0000   13.852  4.8496 ?       ?      ?              ?        
1 1 1 5  17 8  o 17.946  5.6481 398.887   226.169  398.887   226.169  0.0000    0.0000   17.946  5.6481 ?       ?      ?              ?        
1 1 1 5  17 9  o 27.394  8.5348 1141.43   517.911  1141.43   517.911  0.0000    0.0000   27.394  8.5348 ?       ?      ?              ?        
1 1 1 5  17 10 o 16.361  5.5136 327.311   213.727  327.311   213.727  0.0000    0.0000   16.361  5.5136 ?       ?      ?              ?        
1 1 1 5  17 11 o 12.543  3.3836 121.874   125.226  298.189   193.512  -5.1571   164.256  15.453  5.2462 9.6322  4.2746 5.821095       6.767194 
1 1 1 5  17 12 o 16.469  4.3326 490.688   212.286  783.912   304.661  213.964   295.964  20.363  6.5713 12.575  5.6483 7.787818       8.665128 
1 1 1 5  17 13 o 10.859  3.4140 105.372   153.111  253.026   223.042  -26.2194  210.561  12.456  5.2477 9.2631  4.3684 3.192746       6.827968 
1 1 1 5  17 14 o 8.1511  2.7601 3.3569    128.105  21.925    185.077  -13.7216  177.497  8.3372  3.9787 7.9650  3.8265 0.3721790      5.520163 
1 1 1 5  17 15 o 9.9578  3.4253 342.868   220.139  535.222   308.397  143.033   314.337  10.997  5.2159 8.9190  4.4414 2.077707       6.850635 
1 1 1 5  18 0  o 30.497  7.5230 1358.34   415.001  1356.83   585.140  1359.88   588.675  30.504  10.615 30.490  10.663 -0.000000      0.000000 
1 1 1 5  18 1  o 27.638  4.4654 868.958   230.500  829.066   281.356  950.379   401.958  27.184  5.3654 28.092  7.1394 -0.9071293     8.930799 
1 1 1 5  18 2  o 19.506  3.3898 450.420   134.596  543.537   164.826  264.047   233.186  22.865  3.6043 16.146  5.7422 6.718813       6.779667 
1 1 1 5  18 3  o 35.618  5.8474 1646.00   399.636  1694.36   489.096  1548.86   693.201  38.321  6.3815 32.915  9.8003 5.406666       11.69485 
1 1 1 5  18 4  o 7.0624  2.0625 9.8541    49.145   -27.9508  70.752   45.101    68.316   6.1961  2.7738 7.9286  3.0530 -1.732516      4.124932 
1 1 1 5  18 5  o 11.569  3.0577 118.652   95.994   156.412   138.659  83.896    133.029  12.452  4.4280 10.687  4.2178 1.765224       6.115323 
1 1 1 5  18 6  o 21.458  4.4328 575.718   208.396  416.690   293.974  736.364   295.465  18.489  6.4585 24.428  6.0736 -5.939001      8.865694 
1 1 1 5  18 7  f 9.7449  2.8332 52.459    89.187   73.675    122.091  28.184    130.597  10.082  4.0211 9.4081  3.9924 0.6735811      5.666433 
1 1 1 5  18 8  o 27.314  8.7174 1211.16   537.293  1211.16   537.293  0.0000    0.0000   27.314  8.7174 ?       ?      ?              ?        
1 1 1 5  18 9  o 12.122  4.7422 128.899   166.850  128.899   166.850  0.0000    0.0000   12.122  4.7422 ?       ?      ?              ?        
1 1 1 5  18 10 o 26.314  9.4662 1433.05   635.450  1433.05   635.450  0.0000    0.0000   26.314  9.4662 ?       ?      ?              ?        
1 1 1 5  18 11 o 13.409  5.1803 237.828   197.185  237.828   197.185  0.0000    0.0000   13.409  5.1803 ?       ?      ?              ?        
1 1 1 5  18 12 o 8.2292  2.7753 -142.8775 129.574  -268.0634 184.386  -20.7397  182.127  7.2587  3.5759 9.1997  4.2452 -1.940979      5.550574 
1 1 1 5  18 13 o 8.1607  2.7426 -73.4810  128.862  59.120    166.833  -269.5902 202.889  9.1261  4.1554 7.1954  3.5807 1.930661       5.485271 
1 1 1 5  18 14 o 9.7592  3.2215 108.471   167.780  -172.7932 245.515  354.913   229.815  7.8224  3.9001 11.696  5.1285 -3.873530      6.442976 
1 1 1 5  19 0  o 40.256  11.054 2933.70   850.040  3086.88   1203.81  2781.36   1200.48  42.100  15.467 38.412  15.797 0.000000       0.000000 
1 1 1 5  19 1  o 28.305  4.7141 989.549   258.050  1063.32   315.184  839.558   449.425  31.102  5.0669 25.508  7.9511 5.594376       9.428271 
1 1 1 5  19 2  o 20.469  3.6414 473.447   142.331  468.989   172.790  482.856   251.031  20.599  4.3316 20.340  5.8547 0.2586994      7.282856 
1 1 1 5  19 3  o 13.725  2.8596 210.923   81.659   226.240   98.697   177.686   145.389  14.366  3.4734 13.084  4.5436 1.281763       5.719154 
1 1 1 5  19 4  o 25.543  4.3133 767.319   207.106  682.599   251.876  944.161   363.903  23.957  5.3876 27.130  6.7374 -3.172600      8.626619 
1 1 1 5  19 5  o 19.882  4.1054 482.225   180.515  324.481   254.299  642.445   256.287  16.729  5.9915 23.035  5.6142 -6.306013      8.210817 
1 1 1 5  19 6  o 26.751  5.9103 1096.76   350.953  1098.98   495.125  1094.53   497.530  26.802  8.3441 26.700  8.3728 0.1020718      11.82067 
1 1 1 5  19 7  o 18.029  4.1501 410.827   172.912  353.052   244.245  468.877   244.825  16.886  5.8876 19.171  5.8507 -2.284555      8.300265 
1 1 1 5  19 8  o 9.4320  2.7936 35.331    89.425   -1.4917   133.590  65.227    120.371  8.9997  3.9290 9.8643  3.9723 -0.8646317     5.587160 
1 1 1 5  19 9  o 14.863  5.4100 266.313   208.381  266.313   208.381  0.0000    0.0000   14.863  5.4100 ?       ?      ?              ?        
1 1 1 5  19 10 f 7.8755  3.7153 -115.4514 152.544  -115.4514 152.544  0.0000    0.0000   7.8755  3.7153 ?       ?      ?              ?        
1 1 1 5  19 11 o 14.875  6.1646 488.331   300.294  488.331   300.294  0.0000    0.0000   14.875  6.1646 ?       ?      ?              ?        
1 1 1 5  19 12 o 14.369  3.9198 357.604   175.716  582.839   250.799  140.441   246.264  17.544  5.9724 11.194  5.0783 6.349777       7.839543 
1 1 1 5  19 13 o 9.8098  3.2627 151.273   168.367  4.9122    241.739  289.156   234.633  8.7009  4.2463 10.919  4.9547 -2.217790      6.525317 
1 1 1 5  19 14 o 8.8296  3.0229 12.988    158.567  -284.1728 206.196  443.048   248.055  6.5044  3.2867 11.155  5.0744 -4.650376      6.045821 
1 1 1 5  20 0  o 20.484  7.9587 638.895   310.544  638.895   310.544  0.0000    0.0000   20.484  7.9587 20.484  7.9587 0.000000       0.000000 
1 1 1 5  20 1  o 28.750  5.0039 1068.67   274.466  1043.16   335.275  1120.50   477.895  29.326  5.9204 28.174  8.0688 1.151398       10.00781 
1 1 1 5  20 2  o 18.152  3.4832 399.535   128.533  442.896   156.839  310.853   224.297  19.888  4.0800 16.416  5.6467 3.472006       6.966439 
1 1 1 5  20 3  o 13.741  3.0005 206.566   85.224   206.267   100.392  207.340   161.247  13.639  3.6201 13.843  4.7862 -0.2044363     6.001096 
1 1 1 5  20 4  o 20.325  4.3263 530.285   193.792  418.474   273.175  643.562   274.960  18.164  6.2326 22.486  6.0020 -4.321692      8.652680 
1 1 1 5  20 5  o 31.904  7.0873 1693.16   508.078  1502.13   715.267  1887.71   721.839  29.693  10.086 34.116  9.9593 -4.422987      14.17450 
1 1 1 5  20 6  o 21.873  4.7423 637.241   228.105  574.756   321.366  700.686   323.827  20.764  6.7532 22.982  6.6596 -2.217903      9.484529 
1 1 1 5  20 7  o 14.236  3.6592 221.723   135.038  201.352   193.458  241.080   188.580  13.853  5.1822 14.619  5.1676 -0.7658739     7.318421 
1 1 1 5  20 8  o 22.823  5.3692 827.317   287.284  873.648   405.435  780.597   407.133  23.542  7.5788 22.105  7.6074 1.436773       10.73831 
1 1 1 5  20 9  o 27.300  10.127 1694.74   735.751  1694.74   735.751  0.0000    0.0000   27.300  10.127 ?       ?      ?              ?        
1 1 1 5  20 10 o 11.464  4.8671 153.926   194.247  153.926   194.247  0.0000    0.0000   11.464  4.8671 ?       ?      ?              ?        
1 1 1 5  20 11 o 8.7153  4.0973 -52.5724  182.684  -52.5724  182.684  0.0000    0.0000   8.7153  4.0973 ?       ?      ?              ?        
1 1 1 5  20 12 o 12.457  5.6354 425.643   300.781  425.643   300.781  0.0000    0.0000   12.457  5.6354 ?       ?      ?              ?        
1 1 1 5  20 13 o 10.008  3.3669 257.404   186.340  430.384   268.066  95.668    259.207  11.152  5.1476 8.8647  4.3412 2.287491       6.733833 
1 1 1 5  21 0  o 30.987  12.575 1803.44   763.640  0.0000    0.0000   1803.44   763.640  30.987  12.575 30.987  12.575 -0.000000      0.000000 
1 1 1 5  21 1  o 16.976  3.3345 327.476   111.471  301.080   134.949  384.168   197.771  16.176  4.1507 17.776  5.2198 -1.600412      6.668946 
1 1 1 5  21 2  o 18.133  3.5526 400.743   130.206  420.733   158.793  359.721   227.476  19.132  4.2594 17.133  5.6870 1.998865       7.105280 
1 1 1 5  21 3  o 18.304  3.5345 354.819   125.054  284.900   149.115  520.568   229.588  15.783  4.5028 20.825  5.4493 -5.042031      7.068965 
1 1 1 5  21 4  o 9.3091  2.5523 72.073    65.786   97.978    75.049   -13.8615  136.691  9.7386  3.2673 8.8797  3.9221 0.8589115      5.104676 
1 1 1 5  21 5  o 12.296  3.2278 141.139   108.650  77.019    156.909  200.203   150.595  11.030  4.5009 13.562  4.6279 -2.532559      6.455680 
1 1 1 5  21 6  o 18.041  4.1774 405.654   173.795  403.156   245.476  408.164   246.091  17.993  5.9047 18.090  5.9109 -0.9648895E-01 8.354856 
1 1 1 5  21 7  o 11.452  3.2988 102.947   119.186  129.615   171.135  77.830    166.087  11.949  4.7624 10.954  4.5658 0.9951811      6.597503 
1 1 1 5  21 8  o 19.564  4.4950 517.531   215.263  767.909   312.829  292.354   296.669  23.504  6.4566 15.623  6.2555 7.881137       8.989927 
1 1 1 5  21 9  f 20.425  5.5210 921.075   314.497  923.265   439.371  918.773   450.365  20.565  7.7847 20.285  7.8310 0.2794056      11.04203 
1 1 1 5  21 10 o 18.955  7.6745 920.082   451.954  920.082   451.954  0.0000    0.0000   18.955  7.6745 ?       ?      ?              ?        
1 1 1 5  21 11 o 15.448  7.2351 1236.85   560.420  1236.85   560.420  0.0000    0.0000   15.448  7.2351 ?       ?      ?              ?        
1 1 1 5  21 12 o 9.7555  4.4540 123.669   193.318  123.669   193.318  0.0000    0.0000   9.7555  4.4540 ?       ?      ?              ?        
1 1 1 5  22 0  o 9.8937  5.2722 157.067   141.614  157.067   141.614  0.0000    0.0000   9.8937  5.2722 9.8937  5.2722 0.000000       0.000000 
1 1 1 5  22 1  o 25.478  4.5189 819.218   219.481  751.383   267.341  959.471   384.408  24.663  5.5535 26.292  7.1303 -1.628769      9.037835 
1 1 1 5  22 2  o 27.710  4.9248 1002.07   261.856  966.339   319.893  1074.63   455.879  28.017  5.8956 27.402  7.8904 0.6148758      9.849693 
1 1 1 5  22 3  o 30.174  5.4721 1238.26   318.521  1185.18   388.063  1347.83   557.614  30.545  6.5489 29.803  8.7686 0.7423344      10.94422 
1 1 1 5  22 4  o 15.070  3.7032 261.026   136.913  282.268   191.124  238.637   196.225  15.521  5.2140 14.619  5.2602 0.9021463      7.406430 
1 1 1 5  22 5  o 12.536  3.2473 147.816   117.699  272.339   160.323  2.2531    173.340  15.054  4.7574 10.018  4.4211 5.036613       6.494530 
1 1 1 5  22 6  o 13.121  3.5078 182.781   129.311  109.752   185.912  251.222   179.979  11.799  4.8667 14.442  5.0530 -2.643167      7.015517 
1 1 1 5  22 7  f 9.7289  3.0213 11.892    113.182  33.484    163.972  -7.7561   156.420  10.115  4.3850 9.3426  4.1575 0.7726212      6.042641 
1 1 1 5  22 8  o 18.466  4.9026 639.013   246.920  709.103   348.554  568.403   349.845  19.477  7.0104 17.454  6.8555 2.023451       9.805285 
1 1 1 5  22 9  o 14.768  4.1534 355.197   192.594  524.229   274.885  192.218   269.920  17.044  6.2121 12.492  5.5148 4.552549       8.306782 
1 1 1 5  22 10 f 13.389  4.0118 360.305   188.909  303.603   287.543  403.364   250.573  12.628  5.6269 14.151  5.7197 -1.523499      8.023516 
1 1 1 5  22 11 o 9.7392  4.6432 153.325   250.756  153.325   250.756  0.0000    0.0000   9.7392  4.6432 ?       ?      ?              ?        
1 1 1 5  22 12 o 7.8250  3.8852 2.9887    233.550  2.9887    233.550  0.0000    0.0000   7.8250  3.8852 ?       ?      ?              ?        
1 1 1 5  23 0  o 17.665  7.4252 495.034   263.957  495.034   263.957  0.0000    0.0000   17.665  7.4252 17.665  7.4252 0.000000       0.000000 
1 1 1 5  23 1  o 29.254  5.4049 1229.63   314.037  1269.53   384.540  1149.73   544.142  31.678  6.2913 26.830  8.7905 4.848356       10.80987 
1 1 1 5  23 2  f 16.509  3.4433 307.096   115.280  270.547   139.511  385.772   204.684  15.271  4.3549 17.747  5.3348 -2.475717      6.886574 
1 1 1 5  23 3  o 23.015  4.4905 703.339   202.829  640.278   244.981  840.774   361.661  22.279  5.5251 23.751  7.0804 -1.472565      8.981056 
1 1 1 5  23 4  o 25.449  4.6526 826.522   228.956  643.269   278.332  1210.05   402.655  21.776  6.1308 29.122  6.9999 -7.346222      9.305112 
1 1 1 5  23 5  o 22.954  5.3771 854.108   292.367  704.512   410.097  1008.73   416.925  20.745  7.5835 25.163  7.6251 -4.418068      10.75414 
1 1 1 5  23 6  o 10.624  3.1194 49.843    118.978  -100.8038 162.848  222.329   174.252  8.1512  3.8433 13.096  4.9145 -4.944879      6.238815 
1 1 1 5  23 7  o 13.487  3.8381 283.048   160.635  223.089   229.126  341.005   225.267  12.572  5.3089 14.401  5.5443 -1.829345      7.676192 
1 1 1 5  23 8  f 15.582  3.9251 339.478   189.983  707.868   269.128  -26.4546  268.228  20.660  6.0955 10.505  4.9468 10.15467       7.850241 
1 1 1 5  23 9  o 8.8238  2.9502 -50.8872  139.201  -133.9942 201.413  25.107    192.601  8.2191  3.9799 9.4286  4.3560 -1.209533      5.900373 
1 1 1 5  23 10 o 10.149  3.3503 214.582   167.215  205.622   223.674  225.935   251.765  10.101  4.6764 10.197  4.7990 -0.9582901E-01 6.700649 
1 1 1 5  23 11 o 9.2993  4.5692 293.340   294.620  293.340   294.620  0.0000    0.0000   9.2993  4.5692 ?       ?      ?              ?        
1 1 1 5  24 0  o 7.4978  4.5815 64.857    130.514  0.0000    0.0000   64.857    130.514  7.4978  4.5815 7.4978  4.5815 -0.000000      0.000000 
1 1 1 5  24 1  o 15.233  3.3901 266.121   108.476  227.556   130.182  353.717   196.199  13.851  4.2730 16.615  5.2641 -2.764074      6.780127 
1 1 1 5  24 2  o 10.826  2.8771 117.405   87.771   163.223   103.413  -0.6276   165.982  11.963  3.8252 9.6893  4.2986 2.273344       5.754138 
1 1 1 5  24 3  o 10.893  2.9070 115.643   88.146   154.441   105.715  27.132    159.672  11.773  3.8754 10.013  4.3340 1.760064       5.813967 
1 1 1 5  24 4  o 13.475  3.4220 218.262   108.871  196.896   128.189  273.560   206.227  12.672  4.2700 14.278  5.3486 -1.606180      6.844054 
1 1 1 5  24 5  o 9.2256  2.9662 -23.5855  116.784  -44.2644  150.095  8.1382    185.906  8.4976  3.8965 9.9536  4.4732 -1.456001      5.932308 
1 1 1 5  24 6  o 9.4205  3.0419 -39.4042  126.770  -187.1606 160.211  208.020   207.320  7.0061  3.4272 11.835  5.0266 -4.828690      6.083789 
1 1 1 5  24 7  o 16.669  4.6518 561.860   231.523  447.891   320.608  686.062   334.691  15.186  6.3377 18.152  6.8111 -2.966599      9.303641 
1 1 1 5  24 8  o 13.690  4.1134 395.822   197.898  334.883   280.963  455.821   278.789  12.951  5.6748 14.429  5.9564 -1.478279      8.226858 
1 1 1 5  24 9  o 12.294  4.0212 571.421   239.499  354.732   337.993  789.940   339.418  10.719  5.1820 13.869  6.1504 -3.150267      8.042403 
1 1 1 5  24 10 o 9.9253  3.3698 262.236   198.051  517.669   282.518  15.412    277.716  11.440  5.2819 8.4108  4.1861 3.028953       6.739528 
1 1 1 5  25 0  o 4.7447  3.3200 -97.5143  117.346  0.0000    0.0000   -97.5143  117.346  4.7447  3.3200 4.7447  3.3200 -0.000000      0.000000 
1 1 1 5  25 1  o 13.734  3.6633 257.261   138.318  198.810   189.272  324.257   202.634  12.571  5.0089 14.897  5.3470 -2.326095      7.326632 
1 1 1 5  25 2  o 22.025  4.7581 772.073   220.178  714.846   266.503  895.127   390.795  22.094  5.9141 21.955  7.4553 0.1383476      9.516143 
1 1 1 5  25 3  o 12.373  3.3241 192.314   107.754  196.925   125.501  179.380   210.186  12.441  4.2249 12.305  5.1332 0.1355429      6.648239 
1 1 1 5  25 4  o 9.7336  2.9094 94.943    88.926   91.603    102.657  104.981   177.991  9.2097  3.6825 10.257  4.5051 -1.047770      5.818706 
1 1 1 5  25 5  o 16.364  4.0032 403.529   192.869  56.000    268.564  773.647   277.155  11.146  5.1474 21.582  6.1325 -10.43581      8.006427 
1 1 1 5  25 6  o 9.8335  3.1605 56.925    135.359  45.584    184.944  70.010    198.643  9.6154  4.3770 10.052  4.5603 -0.4361610     6.320979 
1 1 1 5  25 7  o 9.3976  3.1099 40.322    145.243  14.543    196.866  71.116    215.160  9.0486  4.2538 9.7466  4.5376 -0.6980000     6.219723 
1 1 1 5  25 8  o 9.8831  3.3100 179.693   174.091  139.812   240.133  223.876   252.755  9.5640  4.5553 10.202  4.8036 -0.6382103     6.620028 
1 1 1 5  25 9  o 8.7438  3.0063 112.326   167.141  94.716    239.370  129.080   233.485  8.6416  4.2191 8.8459  4.2838 -0.2043447     6.012676 
1 1 1 5  26 0  o 13.757  7.1124 417.397   251.805  0.0000    0.0000   417.397   251.805  13.757  7.1124 13.757  7.1124 -0.000000      0.000000 
1 1 1 5  26 1  o 17.291  4.8138 678.695   244.448  657.425   341.945  700.926   349.585  17.083  6.7559 17.499  6.8592 -0.4164848     9.627597 
1 1 1 5  26 2  o 14.785  3.9009 349.839   160.320  446.005   222.878  246.731   230.781  16.548  5.6301 13.022  5.4009 3.526272       7.801825 
1 1 1 5  26 3  o 16.562  3.9063 404.728   142.602  338.535   170.874  556.607   258.832  15.234  4.9218 17.891  6.0674 -2.656366      7.812634 
1 1 1 5  26 4  o 19.920  5.3880 1223.47   319.797  1206.25   388.504  1259.65   563.196  22.445  7.4313 17.394  7.8038 5.050497       10.77605 
1 1 1 5  26 5  o 7.7097  2.6502 -190.0006 133.775  -386.3260 196.444  -20.2258  182.678  6.6669  3.3479 8.7525  4.1092 -2.085559      5.300332 
1 1 1 5  26 6  o 11.865  3.7610 338.819   188.952  444.795   262.288  224.483   272.437  12.986  5.5877 10.743  5.0356 2.242869       7.521980 
1 1 1 5  26 7  o 10.577  3.4141 186.611   168.708  328.556   229.234  18.877    249.190  11.980  5.1890 9.1737  4.4384 2.806080       6.828300 
1 1 1 5  26 8  o 7.1130  2.5231 -123.2675 153.840  -155.8310 206.429  -82.5902  230.718  6.8523  3.4397 7.3738  3.6921 -0.5214109     5.046129 
1 1 1 5  27 0  o 7.6153  4.8346 79.158    160.141  79.158    160.141  0.0000    0.0000   7.6153  4.8346 7.6153  4.8346 0.000000       0.000000 
1 1 1 5  27 1  o 10.876  3.2526 151.517   122.020  168.775   173.866  134.766   171.288  11.148  4.6612 10.604  4.5379 0.5443335      6.505293 
1 1 1 5  27 2  o 17.456  4.4497 696.579   206.683  705.976   252.181  677.353   360.725  19.337  5.9442 15.575  6.6231 3.762355       8.899423 
1 1 1 5  27 3  o 13.950  3.8532 396.301   150.838  366.803   178.217  470.799   283.216  14.223  5.0240 13.678  5.8437 0.5449581      7.706445 
1 1 1 5  27 4  o 9.9795  3.1142 148.036   113.568  145.792   129.209  155.658   238.130  9.8760  4.0634 10.083  4.7203 -0.2070427     6.228404 
1 1 1 5  27 5  o 12.874  3.8433 376.863   154.033  265.208   180.796  672.503   294.192  11.365  4.7526 14.382  6.0413 -3.017061      7.686651 
1 1 1 5  27 6  f 8.1413  2.8217 -55.8041  155.647  -58.6342  228.886  -53.3697  212.287  8.2060  4.0310 8.0766  3.9497 0.1293745      5.643498 
1 1 1 5  27 7  o 10.322  3.5447 496.192   237.252  654.240   318.079  297.990   356.199  11.372  5.3648 9.2720  4.6344 2.100047       7.089337 
1 1 1 5  28 0  o 5.8290  4.0139 -20.9193  154.535  -20.9193  154.535  0.0000    0.0000   5.8290  4.0139 5.8290  4.0139 0.000000       0.000000 
1 1 1 5  28 1  o 8.1186  2.7190 17.257    117.033  8.3330    157.345  28.309    175.094  7.9263  3.7496 8.3108  3.9385 -0.3844872     5.437959 
1 1 1 5  28 2  o 8.0183  2.7050 -18.2498  116.074  -56.2849  147.383  43.875    188.361  7.2928  3.4991 8.7437  4.1259 -1.450913      5.409905 
1 1 1 5  28 3  f 8.2162  2.7443 -5.8522   116.517  -39.4429  153.559  39.731    178.884  7.6601  3.6469 8.7724  4.1018 -1.112372      5.488570 
1 1 1 5  28 4  o 8.4256  2.7865 68.443    110.663  67.810    130.661  70.049    208.136  8.1599  3.7007 8.6913  4.1669 -0.5313768     5.573040 
1 1 1 5  28 5  o 10.161  3.4662 450.065   216.221  181.158   307.595  712.727   304.003  8.6693  4.3291 11.652  5.4145 -2.983167      6.932370 
1 1 1 5  29 0  f 5.8032  4.0382 -2.4709   167.077  0.0000    0.0000   -2.4709   167.077  5.8032  4.0382 5.8032  4.0382 -0.000000      0.000000 
1 1 1 5  29 1  o 6.7424  2.3610 -86.6437  117.285  -124.6853 157.515  -39.3089  175.704  6.3740  3.1691 7.1108  3.5006 -0.7367716     4.722057 
1 1 1 5  29 2  o 8.8208  2.9526 152.166   138.211  92.778    190.063  218.813   201.345  8.2868  3.9754 9.3548  4.3666 -1.067979      5.905177 
1 1 1 5  29 3  o 9.3378  2.9939 170.654   119.978  179.986   138.046  141.842   242.569  9.6825  4.1065 8.9931  4.3578 0.6893435      5.987830 
1 1 1 6  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  1  2  o 136.141 23.177 22368.44  6236.60  21735.08  8814.33  23003.41  8825.46  133.936 33.096 138.345 32.456 -4.408325      46.35493 
1 1 1 6  1  3  o 120.047 21.415 18408.76  5142.00  18883.95  7276.75  17934.84  7267.03  121.868 30.046 118.226 30.524 3.641182       42.83022 
1 1 1 6  1  4  o 153.639 30.185 34477.34  9608.26  34694.13  13587.78 34260.54  13588.48 154.251 42.626 153.026 42.751 1.225739       60.37071 
1 1 1 6  1  5  o 162.473 18.680 30682.84  6069.91  30694.78  8579.91  30670.87  8588.38  162.523 26.396 162.424 26.438 0.9960938E-01  37.35938 
1 1 1 6  1  6  o 69.761  7.3121 5056.92   1019.88  4916.64   1442.28  5197.21   1442.37  68.755  10.488 70.766  10.191 -2.010765      14.62416 
1 1 1 6  1  7  o 35.977  3.9439 1312.23   283.740  1291.39   401.998  1332.93   400.544  35.687  5.6323 36.266  5.5223 -0.5791550     7.887832 
1 1 1 6  1  8  o 40.676  4.6957 1744.67   371.429  1938.12   524.872  1550.61   525.690  43.354  6.0534 37.999  7.1802 5.354305       9.391452 
1 1 1 6  1  9  o 30.780  3.7424 997.745   225.744  975.074   318.903  1020.52   319.597  30.181  5.4853 31.379  5.0925 -1.198343      7.484817 
1 1 1 6  1  10 o 13.373  2.5740 189.910   70.666   193.234   101.583  186.793   98.368   13.483  3.6691 13.263  3.6111 0.2202377      5.148048 
1 1 1 6  1  11 o 18.052  3.3116 357.165   116.861  348.167   145.132  373.757   197.069  17.838  4.1468 18.267  5.1643 -0.4292145     6.623156 
1 1 1 6  1  12 o 26.760  4.4790 838.551   226.080  790.367   276.925  934.846   391.482  26.172  5.4668 27.347  7.0964 -1.175245      8.957913 
1 1 1 6  1  13 o 17.499  4.4594 356.438   156.523  356.438   156.523  0.0000    0.0000   17.499  4.4594 ?       ?      ?              ?        
1 1 1 6  1  14 o 18.731  5.9331 434.591   249.243  434.591   249.243  0.0000    0.0000   18.731  5.9331 ?       ?      ?              ?        
1 1 1 6  1  15 o 11.551  4.2577 140.936   129.651  140.936   129.651  0.0000    0.0000   11.551  4.2577 ?       ?      ?              ?        
1 1 1 6  1  16 o 11.713  4.5451 193.026   152.315  193.026   152.315  0.0000    0.0000   11.713  4.5451 ?       ?      ?              ?        
1 1 1 6  1  17 o 15.537  5.5456 466.894   217.681  466.894   217.681  0.0000    0.0000   15.537  5.5456 ?       ?      ?              ?        
1 1 1 6  1  18 f 5.7791  2.9156 -272.4184 158.559  -272.4184 158.559  0.0000    0.0000   5.7791  2.9156 ?       ?      ?              ?        
1 1 1 6  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  2  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  2  3  o 90.433  15.246 9641.41   2718.88  9801.80   3841.39  9480.39   3848.79  91.295  21.409 89.572  21.711 1.722420       30.49116 
1 1 1 6  2  4  o 49.738  7.9300 2640.50   770.024  2703.94   1091.53  2577.64   1086.44  50.354  11.134 49.122  11.295 1.232868       15.86002 
1 1 1 6  2  5  o 124.531 17.164 16709.05  3966.39  22669.69  6871.66  13730.92  4857.22  139.559 25.561 109.503 22.914 30.05643       34.32830 
1 1 1 6  2  6  o 119.382 13.364 16172.78  3190.10  16549.51  4512.49  15796.38  4510.48  120.956 18.653 117.809 19.143 3.147133       26.72855 
1 1 1 6  2  7  f 45.787  4.9338 2144.36   450.972  2289.80   637.356  1998.54   638.186  47.378  6.7263 44.196  7.2200 3.181931       9.867701 
1 1 1 6  2  8  o 42.160  4.5839 1842.37   386.078  1738.64   544.474  1947.27   547.531  40.928  6.6517 43.393  6.3089 -2.465736      9.167749 
1 1 1 6  2  9  f 48.407  5.4505 2551.61   527.677  2546.29   745.228  2556.96   747.272  48.357  7.7054 48.456  7.7109 -0.9841156E-01 10.90096 
1 1 1 6  2  10 o 20.610  3.0161 455.517   120.226  458.557   169.616  452.447   170.438  20.687  4.2420 20.533  4.2887 0.1539345      6.032248 
1 1 1 6  2  11 o 32.631  4.1625 1200.51   265.543  1278.70   375.327  1122.14   375.741  34.099  5.5034 31.162  6.2464 2.937349       8.324973 
1 1 1 6  2  12 o 29.544  5.7483 1020.89   327.434  1020.89   327.434  0.0000    0.0000   29.544  5.7483 ?       ?      ?              ?        
1 1 1 6  2  13 f 28.044  5.8569 978.749   317.897  978.749   317.897  0.0000    0.0000   28.044  5.8569 ?       ?      ?              ?        
1 1 1 6  2  14 o 13.975  4.3447 221.154   134.291  221.154   134.291  0.0000    0.0000   13.975  4.3447 ?       ?      ?              ?        
1 1 1 6  2  15 o 14.404  4.6479 252.536   152.417  252.536   152.417  0.0000    0.0000   14.404  4.6479 ?       ?      ?              ?        
1 1 1 6  2  16 o 17.319  5.5800 523.097   219.745  523.097   219.745  0.0000    0.0000   17.319  5.5800 ?       ?      ?              ?        
1 1 1 6  2  17 o 13.738  5.1870 351.562   194.743  351.562   194.743  0.0000    0.0000   13.738  5.1870 ?       ?      ?              ?        
1 1 1 6  2  18 o 9.7951  4.3505 234.550   170.474  234.550   170.474  0.0000    0.0000   9.7951  4.3505 ?       ?      ?              ?        
1 1 1 6  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  3  3  o 112.022 28.119 15891.02  6290.21  0.0000    0.0000   15891.02  6290.21  ?       ?      112.022 28.119 ?              ?        
1 1 1 6  3  4  o 47.337  5.6960 2132.14   508.337  3056.90   878.688  1666.95   623.214  54.860  8.0084 39.814  8.1022 15.04610       11.39209 
1 1 1 6  3  5  o 173.480 27.630 39200.49  8949.20  42661.10  15510.62 37473.57  10956.90 172.195 44.660 174.766 32.545 -2.571289      55.26042 
1 1 1 6  3  6  o 120.742 13.761 16713.84  3322.60  16432.80  4702.02  16994.13  4695.70  119.567 19.663 121.916 19.258 -2.348297      27.52253 
1 1 1 6  3  7  o 53.498  5.7459 2950.47   613.844  3128.51   867.141  2771.63   869.075  55.167  7.8592 51.828  8.3842 3.338997       11.49183 
1 1 1 6  3  8  o 52.863  5.7467 2959.40   607.510  2998.80   857.334  2919.67   860.977  53.244  8.0510 52.482  8.2025 0.7616310      11.49346 
1 1 1 6  3  9  o 33.695  4.1265 1220.00   271.578  1302.08   383.204  1137.17   384.940  35.185  5.4455 32.205  6.2013 2.979633       8.252908 
1 1 1 6  3  10 o 39.069  4.7367 1687.17   361.757  1781.60   511.092  1592.36   512.112  40.581  6.2971 37.556  7.0776 3.025364       9.473409 
1 1 1 6  3  11 o 38.406  6.1687 1791.24   443.515  1572.18   542.727  2231.64   769.514  35.807  7.7993 41.006  9.5593 -5.198719      12.33734 
1 1 1 6  3  12 f 35.824  6.5824 1984.00   481.943  2166.08   589.224  1616.00   837.694  41.236  7.4173 30.413  10.876 10.82292       13.16475 
1 1 1 6  3  13 o 26.437  4.6691 1039.91   274.358  1300.24   335.687  516.157   476.144  33.438  5.0195 19.436  7.8744 14.00217       9.338237 
1 1 1 6  3  14 o 32.355  6.9163 1383.54   433.994  1383.54   433.994  0.0000    0.0000   32.355  6.9163 ?       ?      ?              ?        
1 1 1 6  3  15 o 17.322  4.8175 374.215   172.961  374.215   172.961  0.0000    0.0000   17.322  4.8175 ?       ?      ?              ?        
1 1 1 6  3  16 o 9.9103  4.1431 106.524   137.343  106.524   137.343  0.0000    0.0000   9.9103  4.1431 ?       ?      ?              ?        
1 1 1 6  3  17 o 13.986  5.1059 363.965   185.816  363.965   185.816  0.0000    0.0000   13.986  5.1059 ?       ?      ?              ?        
1 1 1 6  3  18 o 7.0210  3.4165 -20.3311  153.299  -20.3311  153.299  0.0000    0.0000   7.0210  3.4165 ?       ?      ?              ?        
1 1 1 6  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  4  4  o 141.039 21.093 24487.65  5568.33  25811.58  9645.91  23825.96  6819.32  137.873 34.938 144.204 23.645 -6.331345      42.18674 
1 1 1 6  4  5  o 150.594 16.638 25743.87  5011.06  25475.17  7083.32  26013.07  7090.10  149.711 23.657 151.478 23.403 -1.766464      33.27672 
1 1 1 6  4  6  o 93.410  10.168 9409.66   1898.68  9125.91   2687.65  9692.35   2682.63  91.887  14.625 94.932  14.129 -3.045662      20.33512 
1 1 1 6  4  7  o 53.793  5.7249 2999.19   615.576  2887.36   870.850  3110.87   870.261  52.754  8.2539 54.833  7.9356 -2.078728      11.44988 
1 1 1 6  4  8  o 48.024  5.2542 2434.16   504.595  2469.45   712.809  2398.71   714.405  48.395  7.3645 47.652  7.4960 0.7424202      10.50839 
1 1 1 6  4  9  o 34.301  4.1023 1275.17   274.957  1190.50   387.987  1360.59   389.714  32.810  6.1382 35.792  5.4441 -2.982018      8.204636 
1 1 1 6  4  10 o 24.236  4.0111 688.938   187.961  782.682   228.224  491.289   331.388  27.418  4.1620 21.054  6.8582 6.364058       8.022269 
1 1 1 6  4  11 o 40.404  6.4549 1958.43   488.837  1626.42   597.496  2630.57   850.125  36.077  8.4323 44.732  9.7755 -8.655258      12.90987 
1 1 1 6  4  12 o 21.950  3.8723 609.167   173.438  707.659   212.040  410.064   301.479  25.477  4.1615 18.423  6.5316 7.053928       7.744607 
1 1 1 6  4  13 o 28.690  5.2546 1095.02   291.452  1000.33   356.789  1284.92   505.279  27.846  6.5212 29.533  8.2413 -1.687227      10.50925 
1 1 1 6  4  14 o 9.4308  2.8033 39.364    84.953   50.759    101.688  13.034    154.575  9.0357  3.6466 9.8259  4.2585 -0.7902079     5.606535 
1 1 1 6  4  15 o 15.910  3.6255 310.803   127.523  298.859   158.348  332.847   215.113  15.661  4.6888 16.160  5.5310 -0.4986115     7.250981 
1 1 1 6  4  16 o 11.338  4.3024 171.973   134.419  171.973   134.419  0.0000    0.0000   11.338  4.3024 ?       ?      ?              ?        
1 1 1 6  4  17 o 8.3962  3.8227 32.195    141.160  32.195    141.160  0.0000    0.0000   8.3962  3.8227 ?       ?      ?              ?        
1 1 1 6  4  18 o 8.7500  4.0597 160.113   169.928  160.113   169.928  0.0000    0.0000   8.7500  4.0597 ?       ?      ?              ?        
1 1 1 6  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  5  4  o 148.814 23.507 24880.24  6996.21  0.0000    0.0000   24880.24  6996.21  ?       ?      148.814 23.507 ?              ?        
1 1 1 6  5  5  o 83.701  8.7000 7350.93   1456.10  7192.29   2059.29  7509.56   2059.20  82.753  12.442 84.648  12.163 -1.895454      17.39996 
1 1 1 6  5  6  o 68.181  7.1339 4839.97   972.757  4872.96   1374.62  4806.89   1376.75  68.425  10.045 67.936  10.133 0.4888763      14.26773 
1 1 1 6  5  7  o 43.267  4.9152 1972.18   414.747  1800.82   586.261  2143.86   586.820  40.983  7.4259 45.550  6.4415 -4.566799      9.830400 
1 1 1 6  5  8  o 44.630  4.9279 2101.72   439.734  2162.39   622.908  2041.46   620.852  45.304  6.8748 43.957  7.0620 1.346699       9.855726 
1 1 1 6  5  9  o 32.727  5.2252 1302.25   326.289  1422.01   399.872  1063.62   564.442  36.281  5.5108 29.173  8.8792 7.107649       10.45030 
1 1 1 6  5  10 o 37.312  6.2725 1965.59   472.772  2290.53   578.285  1310.70   820.969  44.789  6.4556 29.834  10.757 14.95579       12.54503 
1 1 1 6  5  11 o 25.554  4.0641 681.626   194.777  527.922   236.674  1004.21   342.869  21.531  5.4818 29.577  6.0014 -8.045980      8.128110 
1 1 1 6  5  12 o 18.915  3.6071 411.474   133.446  390.946   162.366  454.206   234.255  18.482  4.4466 19.348  5.6808 -0.8654747     7.214143 
1 1 1 6  5  13 f 11.335  2.8137 131.424   80.092   164.112   97.433   63.313    140.645  12.254  3.6801 10.417  4.2573 1.836760       5.627369 
1 1 1 6  5  14 o 25.623  4.8743 883.135   248.019  886.023   303.064  877.279   431.570  26.736  5.8318 24.510  7.8118 2.226345       9.748573 
1 1 1 6  5  15 o 9.5048  2.9377 -0.2526   98.724   -36.2957  119.163  78.629    176.287  7.8784  3.5571 11.131  4.6762 -3.252915      5.875382 
1 1 1 6  5  16 o 17.494  3.9234 559.343   189.167  728.678   230.591  210.855   330.797  22.252  5.2637 12.736  5.8194 9.515532       7.846793 
1 1 1 6  5  17 o 10.014  4.4092 149.696   171.423  149.696   171.423  0.0000    0.0000   10.014  4.4092 ?       ?      ?              ?        
1 1 1 6  5  18 o 8.5808  4.0382 116.699   178.227  116.699   178.227  0.0000    0.0000   8.5808  4.0382 ?       ?      ?              ?        
1 1 1 6  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  6  5  o 137.097 24.069 32196.88  7444.07  18754.04  12888.69 38925.85  9118.80  98.429  40.551 175.766 25.940 -77.33700      48.13815 
1 1 1 6  6  6  o 125.348 15.958 19488.26  3853.53  19621.90  5447.48  19354.41  5451.95  125.906 22.457 124.790 22.680 1.116219       31.91673 
1 1 1 6  6  7  o 54.748  6.7668 2992.98   696.697  2273.19   851.198  4453.88   1212.66  45.158  9.7130 64.337  9.4242 -19.17935      13.53360 
1 1 1 6  6  8  o 56.618  8.2874 3677.34   869.444  3296.60   1065.28  4436.98   1504.71  53.325  10.362 59.911  12.936 -6.586300      16.57476 
1 1 1 6  6  9  o 32.947  5.3227 1398.22   345.237  1676.16   423.614  848.501   595.762  39.494  5.3630 26.400  9.1958 13.09403       10.64539 
1 1 1 6  6  10 o 56.721  13.621 7545.78   1768.40  5795.44   2166.31  11041.86  3061.62  49.975  17.528 63.466  20.854 -13.49112      27.24204 
1 1 1 6  6  11 o 19.985  3.6990 449.354   142.870  426.169   173.855  497.577   250.732  19.461  4.5485 20.509  5.8346 -1.048145      7.398083 
1 1 1 6  6  12 o 12.630  2.9688 175.778   90.977   222.896   109.924  73.326    162.091  14.144  3.8034 11.115  4.5596 3.029160       5.937676 
1 1 1 6  6  13 o 23.096  4.2653 698.295   198.354  770.334   243.605  556.571   341.683  25.708  4.9170 20.484  6.9710 5.224846       8.530660 
1 1 1 6  6  14 o 19.595  4.0345 488.463   162.533  491.563   197.287  481.917   286.742  20.171  4.9317 19.019  6.3864 1.152033       8.068954 
1 1 1 6  6  15 o 16.847  3.9166 393.908   147.431  374.934   179.676  433.009   257.927  16.745  4.9903 16.948  6.0379 -0.2028942     7.833219 
1 1 1 6  6  16 o 22.647  5.9851 1322.57   350.911  1113.28   428.578  1748.27   611.227  21.960  7.7874 23.333  9.0908 -1.372852      11.97019 
1 1 1 6  6  17 o 8.5779  2.8683 43.259    117.709  11.813    139.076  122.668   221.005  7.7330  3.6161 9.4228  4.4533 -1.689787      5.736580 
1 1 1 6  6  18 o 12.110  5.3343 512.409   251.150  512.409   251.150  0.0000    0.0000   12.110  5.3343 ?       ?      ?              ?        
1 1 1 6  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  7  6  o 37.469  6.2111 1519.78   457.592  1603.38   645.420  1435.28   648.860  38.553  8.5904 36.384  8.9730 2.168530       12.42210 
1 1 1 6  7  7  f 68.482  10.050 5533.27   1285.53  5311.29   1573.16  5979.40   2230.24  68.837  11.427 68.128  16.535 0.7090759      20.09930 
1 1 1 6  7  8  o 17.382  3.1640 322.804   105.980  327.095   128.732  313.780   186.695  17.566  3.7766 17.199  5.0776 0.3670425      6.328060 
1 1 1 6  7  9  o 34.634  5.4783 1595.10   382.666  2045.57   469.119  699.333   661.531  43.893  5.3439 25.375  9.5650 18.51776       10.95660 
1 1 1 6  7  10 o 28.330  4.6463 1032.80   264.004  1266.66   323.832  569.320   455.881  34.435  4.7020 22.225  8.0152 12.20973       9.292649 
1 1 1 6  7  11 o 12.139  2.8647 107.060   77.491   50.213    90.465   263.722   150.179  8.8240  3.4796 15.455  4.5516 -6.630749      5.729300 
1 1 1 6  7  12 o 23.832  4.1287 770.278   210.625  969.817   258.947  380.149   362.077  29.622  4.3709 18.042  7.0058 11.57988       8.257455 
1 1 1 6  7  13 o 25.454  4.5306 933.400   249.309  1133.67   305.840  536.753   430.414  31.302  4.8854 19.607  7.6315 11.69452       9.061232 
1 1 1 6  7  14 o 13.740  3.3371 184.676   107.272  108.197   129.428  352.491   191.721  10.820  4.1922 16.660  5.1932 -5.839810      6.674108 
1 1 1 6  7  15 o 16.672  3.6686 424.234   155.669  567.368   196.663  184.089   254.734  20.578  4.8566 12.766  5.4999 7.812095       7.337247 
1 1 1 6  7  16 o 10.426  3.2257 100.134   122.780  85.514    151.289  128.342   210.142  9.8400  4.2389 11.011  4.8633 -1.171077      6.451300 
1 1 1 6  7  17 o 10.979  3.4373 203.024   144.482  45.605    178.586  501.282   245.818  8.5714  4.0363 13.387  5.5650 -4.815308      6.874655 
1 1 1 6  8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  8  6  o 54.162  9.1946 3520.62   1013.26  2366.99   1431.85  4677.85   1434.07  44.348  14.239 63.976  11.637 -19.62815      18.38918 
1 1 1 6  8  7  o 52.524  8.2900 3356.76   947.817  5405.61   1342.00  1317.57   1338.83  69.911  9.5979 35.136  13.519 34.77477       16.57994 
1 1 1 6  8  8  o 40.429  6.5939 2329.89   555.697  2943.97   679.260  1087.20   966.281  51.565  6.5865 29.293  11.425 22.27190       13.18782 
1 1 1 6  8  9  o 57.911  11.108 5858.36   1351.44  6214.71   1654.22  5143.19   2343.47  66.651  12.876 49.171  18.105 17.47920       22.21659 
1 1 1 6  8  10 o 21.814  3.6063 614.176   166.064  811.736   201.274  192.947   293.898  27.919  3.6046 15.709  6.2472 12.21039       7.212553 
1 1 1 6  8  11 o 24.837  4.3042 721.373   202.409  672.756   246.445  822.144   354.809  24.088  5.2627 25.586  6.8125 -1.498280      8.608492 
1 1 1 6  8  12 o 19.547  3.5100 511.521   152.731  657.094   183.721  185.839   274.798  24.583  3.7367 14.510  5.9428 10.07354       7.019955 
1 1 1 6  8  13 o 22.366  3.8456 683.384   191.727  908.696   234.768  232.204   332.217  28.835  4.0710 15.898  6.5254 12.93655       7.691164 
1 1 1 6  8  14 o 32.436  6.8031 1810.36   456.274  1363.07   557.325  2719.51   794.568  27.514  8.8887 37.358  10.301 -9.843895      13.60618 
1 1 1 6  8  15 o 10.507  2.9623 98.531    103.285  177.512   123.548  -84.7742  188.219  12.071  4.1886 8.9435  4.1900 3.127480       5.924543 
1 1 1 6  8  16 o 10.784  3.2018 143.158   120.279  189.775   145.051  40.549    215.199  11.615  4.4546 9.9521  4.6002 1.663281       6.403517 
1 1 1 6  8  17 o 8.6015  2.8487 23.768    121.872  -16.6754  163.453  74.398    182.885  8.0375  3.8079 9.1655  4.2381 -1.127975      5.697486 
1 1 1 6  9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  9  7  o 35.788  6.2494 1474.52   452.562  1102.79   639.994  1846.30   640.045  31.002  9.4590 40.574  8.1700 -9.572433      12.49889 
1 1 1 6  9  8  o 43.686  8.8089 2775.11   809.174  2945.74   1143.52  2603.98   1145.17  45.349  12.298 42.023  12.616 3.326462       17.61777 
1 1 1 6  9  9  o 23.548  3.9839 654.033   181.422  716.356   219.312  518.936   322.895  26.010  4.2159 21.086  6.7609 4.924164       7.967702 
1 1 1 6  9  10 o 16.167  3.2208 306.716   108.845  356.621   129.999  189.701   199.062  18.141  3.7082 14.193  5.2671 3.947266       6.441540 
1 1 1 6  9  11 o 26.511  4.5911 924.322   241.782  1017.36   294.435  731.682   423.676  30.018  4.9043 23.005  7.7628 7.012926       9.182239 
1 1 1 6  9  12 o 23.669  4.3525 689.186   198.640  647.408   241.546  776.469   349.132  23.216  5.3165 24.122  6.8928 -0.9055901     8.704908 
1 1 1 6  9  13 f 19.460  3.8427 486.516   156.683  547.945   192.303  365.198   270.245  21.702  4.5747 17.219  6.1755 4.483658       7.685316 
1 1 1 6  9  14 f 21.082  4.3353 597.280   186.535  544.919   229.351  699.597   320.606  20.378  5.4997 21.787  6.7032 -1.408478      8.670622 
1 1 1 6  9  15 o 12.923  3.3968 266.217   132.120  354.229   161.490  88.061    229.761  15.266  4.7674 10.579  4.8399 4.686348       6.793629 
1 1 1 6  9  16 o 11.999  3.5245 234.181   137.734  240.533   168.082  221.197   240.304  12.271  4.7710 11.727  5.1889 0.5442514      7.048907 
1 1 1 6  9  17 o 11.151  3.5357 272.530   152.987  135.826   186.467  554.060   267.592  9.3142  4.2972 12.987  5.6159 -3.672901      7.071317 
1 1 1 6  10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  10 1  o 12.614  3.8477 160.413   105.908  0.0000    0.0000   160.413   105.908  ?       ?      12.614  3.8477 ?              ?        
1 1 1 6  10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  10 7  o 56.358  11.805 5885.99   1649.99  8595.28   2335.18  3184.80   2331.69  72.640  16.455 40.076  16.930 32.56366       23.60938 
1 1 1 6  10 8  o 37.830  6.3223 1729.43   506.998  2470.67   716.059  984.258   717.952  46.972  7.6221 28.689  10.089 18.28354       12.64466 
1 1 1 6  10 9  o 41.426  12.641 2753.03   1142.93  0.0000    0.0000   2753.03   1142.93  ?       ?      41.426  12.641 ?              ?        
1 1 1 6  10 10 o 38.355  8.5377 2483.49   736.946  2742.56   1041.05  2223.28   1043.35  40.904  11.966 35.805  12.181 5.099285       17.07546 
1 1 1 6  10 11 o 27.233  5.7474 1051.90   337.345  1001.22   478.863  1101.84   475.313  26.464  8.2005 28.003  8.0550 -1.538649      11.49480 
1 1 1 6  10 12 o 12.722  3.2285 131.339   118.519  294.165   167.164  -33.2410  168.063  15.866  4.8328 9.5769  4.2821 6.289461       6.456924 
1 1 1 6  10 13 o 23.106  4.3499 691.356   197.412  700.445   238.507  671.584   351.785  24.208  5.0878 22.004  7.0571 2.203705       8.699897 
1 1 1 6  10 14 o 15.006  3.2593 296.627   120.620  389.615   143.385  71.529    223.089  18.215  4.0416 11.798  5.1145 6.417025       6.518691 
1 1 1 6  10 15 o 10.761  3.1931 123.885   110.954  114.434   135.064  143.501   194.579  10.266  4.1811 11.256  4.8273 -0.9902287     6.386216 
1 1 1 6  10 16 o 11.760  3.5064 262.616   144.860  293.484   177.152  200.323   251.659  12.614  4.8997 10.906  5.0173 1.707734       7.012869 
1 1 1 6  10 17 o 9.6867  3.2215 213.792   142.339  48.945    169.867  602.409   260.814  7.6865  3.7054 11.687  5.2709 -4.000504      6.443050 
1 1 1 6  11 0  o 65.485  19.639 5569.10   2241.04  0.0000    0.0000   5569.10   2241.04  65.485  19.639 65.485  19.639 0.000000       0.000000 
1 1 1 6  11 1  o 44.636  7.2896 2161.86   637.781  2227.64   902.559  2096.26   901.361  45.348  10.199 43.924  10.418 1.423420       14.57912 
1 1 1 6  11 2  o 76.007  18.285 6851.31   2745.70  6851.31   2745.70  0.0000    0.0000   76.007  18.285 ?       ?      ?              ?        
1 1 1 6  11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  11 8  o 11.377  4.1387 117.930   121.929  0.0000    0.0000   117.930   121.929  ?       ?      11.377  4.1387 ?              ?        
1 1 1 6  11 9  o 37.561  10.686 1989.65   840.987  0.0000    0.0000   1989.65   840.987  ?       ?      37.561  10.686 ?              ?        
1 1 1 6  11 10 o 31.286  9.5863 1498.85   656.484  0.0000    0.0000   1498.85   656.484  ?       ?      31.286  9.5863 ?              ?        
1 1 1 6  11 11 o 20.078  4.3369 513.848   193.000  416.575   271.916  612.606   273.982  18.200  6.2186 21.957  6.0468 -3.757324      8.673827 
1 1 1 6  11 12 o 15.196  3.6184 260.233   133.759  338.144   187.103  178.792   191.293  16.902  5.1050 13.489  5.1293 3.412829       7.236756 
1 1 1 6  11 13 o 22.273  5.2644 783.426   276.416  837.855   390.163  728.578   391.664  23.124  7.4337 21.421  7.4564 1.703070       10.52889 
1 1 1 6  11 14 o 11.014  3.2700 59.676    136.239  248.655   189.638  -141.8929 195.854  13.493  5.1127 8.5343  4.0783 4.958555       6.540086 
1 1 1 6  11 15 o 8.9023  2.9396 -64.0029  131.372  -163.0012 184.251  38.369    187.364  7.9219  3.8288 9.8828  4.4614 -1.960980      5.879137 
1 1 1 6  11 16 o 9.8882  3.2056 172.444   148.581  250.803   196.356  67.471    227.269  10.778  4.7328 8.9984  4.3248 1.779597       6.411204 
1 1 1 6  11 17 o 7.1228  2.4511 -46.0406  108.856  -47.2954  138.189  -43.9888  176.710  6.8461  3.3106 7.3995  3.6154 -0.5534430     4.902140 
1 1 1 6  12 0  o 24.295  8.1589 770.808   354.011  770.808   354.011  0.0000    0.0000   24.295  8.1589 24.295  8.1589 -0.000000      0.000000 
1 1 1 6  12 1  o 63.234  11.068 4886.57   1392.53  4976.64   1971.44  4796.89   1967.23  63.890  15.571 62.577  15.735 1.313232       22.13638 
1 1 1 6  12 2  o 64.143  16.493 5279.40   2127.57  5279.40   2127.57  0.0000    0.0000   64.143  16.493 ?       ?      ?              ?        
1 1 1 6  12 3  o 44.725  10.732 2274.14   947.683  2274.14   947.683  0.0000    0.0000   44.725  10.732 ?       ?      ?              ?        
1 1 1 6  12 4  o 57.142  14.711 4166.31   1691.25  4166.31   1691.25  0.0000    0.0000   57.142  14.711 ?       ?      ?              ?        
1 1 1 6  12 5  o 23.244  6.0874 589.296   286.350  589.296   286.350  0.0000    0.0000   23.244  6.0874 ?       ?      ?              ?        
1 1 1 6  12 6  o 23.125  6.2236 611.565   294.183  611.565   294.183  0.0000    0.0000   23.125  6.2236 ?       ?      ?              ?        
1 1 1 6  12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 6  12 9  o 23.861  6.8582 701.521   344.690  0.0000    0.0000   701.521   344.690  ?       ?      23.861  6.8582 ?              ?        
1 1 1 6  12 10 o 20.194  6.1251 506.121   268.937  0.0000    0.0000   506.121   268.937  ?       ?      20.194  6.1251 ?              ?        
1 1 1 6  12 11 o 16.917  5.7098 338.446   229.215  0.0000    0.0000   338.446   229.215  ?       ?      16.917  5.7098 ?              ?        
1 1 1 6  12 12 o 14.272  3.6437 224.697   134.322  258.035   182.581  185.367   198.311  14.951  5.0958 13.593  5.2097 1.358065       7.287483 
1 1 1 6  12 13 o 13.311  3.7057 189.809   145.029  166.936   202.203  214.042   208.130  12.880  5.1619 13.741  5.3183 -0.8613195     7.411458 
1 1 1 6  12 14 o 10.385  3.1477 93.466    111.767  99.721    134.247  79.336    201.760  10.099  4.1470 10.671  4.7365 -0.5717926     6.295385 
1 1 1 6  12 15 o 10.822  3.0933 129.866   125.030  258.098   148.432  -183.3802 231.991  13.150  4.5895 8.4942  4.1486 4.655849       6.186624 
1 1 1 6  12 16 o 8.7727  2.7723 -3.6834   113.896  -241.1693 163.969  217.741   158.327  6.4231  3.2000 11.122  4.5280 -4.699272      5.544620 
1 1 1 6  13 0  o 15.922  6.1308 349.121   184.951  349.121   184.951  0.0000    0.0000   15.922  6.1308 15.922  6.1308 -0.000000      0.000000 
1 1 1 6  13 1  f 82.915  13.817 9415.98   2168.29  9307.15   2657.26  9632.81   3750.88  86.448  15.957 79.382  22.561 7.065956       27.63399 
1 1 1 6  13 2  o 80.536  13.972 9459.70   2174.49  9668.18   2663.95  9043.45   3764.18  87.219  15.856 73.853  23.009 13.36652       27.94323 
1 1 1 6  13 3  o 46.365  11.527 2571.96   1064.36  2571.96   1064.36  0.0000    0.0000   46.365  11.527 ?       ?      ?              ?        
1 1 1 6  13 4  o 13.052  4.1353 172.738   121.073  172.738   121.073  0.0000    0.0000   13.052  4.1353 ?       ?      ?              ?        
1 1 1 6  13 5  o 19.410  5.4549 419.593   220.553  419.593   220.553  0.0000    0.0000   19.410  5.4549 ?       ?      ?              ?        
1 1 1 6  13 6  o 48.255  13.591 3340.62   1367.51  3340.62   1367.51  0.0000    0.0000   48.255  13.591 ?       ?      ?              ?        
1 1 1 6  13 7  o 14.667  4.8335 224.079   164.430  224.079   164.430  0.0000    0.0000   14.667  4.8335 ?       ?      ?              ?        
1 1 1 6  13 8  o 45.533  18.822 6951.90   2789.22  6951.90   2789.22  0.0000    0.0000   45.533  18.822 ?       ?      ?              ?        
1 1 1 6  13 9  o 25.393  7.4664 852.007   404.408  852.007   404.408  0.0000    0.0000   25.393  7.4664 ?       ?      ?              ?        
1 1 1 6  13 10 o 18.334  3.4299 366.376   159.888  735.411   226.677  0.9777    225.558  25.267  4.6573 11.400  5.0367 13.86644       6.859890 
1 1 1 6  13 11 o 21.814  4.8446 654.656   240.001  523.704   339.821  784.981   339.006  19.592  6.9357 24.036  6.7657 -4.444305      9.689125 
1 1 1 6  13 12 o 10.013  2.9843 33.845    106.444  104.605   139.870  -63.5303  164.080  11.044  4.3357 8.9819  4.1018 2.062099       5.968508 
1 1 1 6  13 13 o 15.567  4.1590 310.869   176.885  316.346   259.891  306.143   241.434  15.661  5.9730 15.473  5.7890 0.1886930      8.318013 
1 1 1 6  13 14 o 12.058  3.5397 203.032   135.679  186.879   166.938  234.467   232.880  11.681  4.6871 12.435  5.3055 -0.7535000     7.079369 
1 1 1 6  13 15 o 9.7895  3.1548 93.693    133.669  107.693   163.686  65.669    231.590  9.7597  4.3023 9.8193  4.6154 -0.5961990E-01 6.309637 
1 1 1 6  13 16 o 10.113  3.3295 270.260   165.583  279.547   201.948  251.209   289.248  10.509  4.6968 9.7179  4.7205 0.7911930      6.659060 
1 1 1 6  14 0  o 42.278  9.4664 2404.64   704.056  2396.41   992.703  2412.97   998.695  42.206  13.369 42.349  13.406 -0.000000      0.000000 
1 1 1 6  14 1  o 73.943  12.962 8039.86   1853.65  8088.21   2270.42  7943.19   3210.10  79.135  14.892 68.751  21.220 10.38354       25.92428 
1 1 1 6  14 2  o 14.309  2.6973 221.865   77.584   245.468   96.521   178.773   130.416  15.272  3.2594 13.347  4.2986 1.924167       5.394575 
1 1 1 6  14 3  o 27.049  6.9761 831.222   379.854  831.222   379.854  0.0000    0.0000   27.049  6.9761 ?       ?      ?              ?        
1 1 1 6  14 4  o 22.172  6.0104 557.988   273.211  557.988   273.211  0.0000    0.0000   22.172  6.0104 ?       ?      ?              ?        
1 1 1 6  14 5  o 19.847  5.4899 431.394   225.257  431.394   225.257  0.0000    0.0000   19.847  5.4899 ?       ?      ?              ?        
1 1 1 6  14 6  o 33.189  9.2066 1460.04   632.546  1460.04   632.546  0.0000    0.0000   33.189  9.2066 ?       ?      ?              ?        
1 1 1 6  14 7  o 25.492  7.0175 774.844   369.084  774.844   369.084  0.0000    0.0000   25.492  7.0175 ?       ?      ?              ?        
1 1 1 6  14 8  o 37.444  11.485 2243.46   941.983  2243.46   941.983  0.0000    0.0000   37.444  11.485 ?       ?      ?              ?        
1 1 1 6  14 9  o 16.089  5.3838 297.637   203.770  297.637   203.770  0.0000    0.0000   16.089  5.3838 ?       ?      ?              ?        
1 1 1 6  14 10 o 21.246  4.5991 580.167   219.984  428.352   311.786  730.663   310.428  18.547  6.6351 23.946  6.3705 -5.399233      9.198277 
1 1 1 6  14 11 o 30.289  6.4089 1511.88   461.860  2116.81   652.043  902.761   654.301  37.463  8.8443 23.114  9.2777 14.34883       12.81783 
1 1 1 6  14 12 o 15.721  3.7857 300.617   150.770  166.318   214.788  431.068   211.687  13.133  5.3000 18.310  5.4071 -5.177308      7.571421 
1 1 1 6  14 13 o 23.041  5.1678 992.912   339.079  1687.41   477.644  287.340   481.438  31.171  7.7054 14.912  6.8884 16.25995       10.33554 
1 1 1 6  14 14 o 10.410  3.2713 37.118    139.963  -99.1899  185.665  216.543   213.016  8.4256  4.0110 12.395  5.1689 -3.969257      6.542539 
1 1 1 6  14 15 o 12.019  3.3776 84.756    129.912  -168.9532 152.365  760.321   248.629  6.4835  3.2046 17.556  5.9466 -11.07206      6.755139 
1 1 1 6  14 16 o 6.6338  2.3506 -167.6621 127.062  -114.8962 149.454  -305.2476 241.333  6.4469  3.1842 6.8206  3.4586 -0.3736367     4.701198 
1 1 1 6  15 0  o 12.654  3.8125 233.926   100.149  196.219   143.902  269.346   139.467  11.372  5.4692 13.936  5.3130 0.000000       0.000000 
1 1 1 6  15 1  o 8.9454  1.9910 80.892    39.765   77.440    57.298   84.099    55.232   8.8227  2.8501 9.0681  2.7809 -0.2453823     3.982009 
1 1 1 6  15 2  o 17.729  3.7750 337.796   129.748  337.796   129.748  0.0000    0.0000   17.729  3.7750 ?       ?      ?              ?        
1 1 1 6  15 3  o 8.3935  3.1580 54.129    72.045   54.129    72.045   0.0000    0.0000   8.3935  3.1580 ?       ?      ?              ?        
1 1 1 6  15 4  o 38.284  10.036 1840.19   777.772  1840.19   777.772  0.0000    0.0000   38.284  10.036 ?       ?      ?              ?        
1 1 1 6  15 5  o 17.396  5.0889 335.451   188.289  335.451   188.289  0.0000    0.0000   17.396  5.0889 ?       ?      ?              ?        
1 1 1 6  15 6  o 44.157  14.527 3635.21   1485.50  3635.21   1485.50  0.0000    0.0000   44.157  14.527 ?       ?      ?              ?        
1 1 1 6  15 7  o 40.840  14.712 3759.72   1535.28  3759.72   1535.28  0.0000    0.0000   40.840  14.712 ?       ?      ?              ?        
1 1 1 6  15 8  o 10.610  4.2061 82.108    132.830  82.108    132.830  0.0000    0.0000   10.610  4.2061 ?       ?      ?              ?        
1 1 1 6  15 9  o 27.625  8.8183 1227.64   549.782  1227.64   549.782  0.0000    0.0000   27.625  8.8183 ?       ?      ?              ?        
1 1 1 6  15 10 o 14.323  3.4032 219.433   127.996  54.878    189.246  358.176   173.771  11.281  4.7973 17.365  4.8285 -6.083426      6.806489 
1 1 1 6  15 11 o 17.686  3.7460 376.739   164.674  614.292   226.826  111.998   239.454  22.475  5.1558 12.898  5.4358 9.577102       7.492006 
1 1 1 6  15 12 o 13.026  3.6544 162.792   144.781  90.271    210.263  228.178   199.652  11.946  5.0674 14.106  5.2669 -2.159781      7.308790 
1 1 1 6  15 13 o 15.544  4.4534 533.005   233.327  815.485   333.140  261.015   326.896  18.678  6.8340 12.409  5.7122 6.269475       8.906873 
1 1 1 6  15 14 o 14.133  4.1891 393.822   202.882  612.378   307.212  224.785   270.178  16.275  6.4141 11.990  5.3902 4.284971       8.378279 
1 1 1 6  15 15 o 12.367  3.7897 281.088   201.346  730.387   289.040  -142.4696 280.638  16.120  6.2595 8.6140  4.2739 7.506344       7.579393 
1 1 1 6  16 0  o 54.930  14.467 5213.18   1484.23  4916.32   2097.22  5511.06   2100.82  52.173  20.783 57.688  20.130 -0.000000      0.000000 
1 1 1 6  16 1  o 64.156  8.8817 5488.37   1098.76  5332.84   1552.76  5644.35   1555.00  62.945  12.771 65.367  12.347 -2.422241      17.76346 
1 1 1 6  16 2  o 23.624  3.8112 620.729   171.225  658.830   209.028  543.022   298.516  25.206  4.1464 22.043  6.3960 3.163679       7.622388 
1 1 1 6  16 3  o 34.524  5.6589 1507.32   374.471  1565.61   457.862  1389.56   650.795  37.210  6.1524 31.837  9.4996 5.373180       11.31783 
1 1 1 6  16 4  o 40.144  11.441 2313.17   963.236  2313.17   963.236  0.0000    0.0000   40.144  11.441 ?       ?      ?              ?        
1 1 1 6  16 5  o 24.633  6.7594 717.110   343.081  717.110   343.081  0.0000    0.0000   24.633  6.7594 ?       ?      ?              ?        
1 1 1 6  16 6  o 29.687  8.5092 1197.21   531.278  1197.21   531.278  0.0000    0.0000   29.687  8.5092 ?       ?      ?              ?        
1 1 1 6  16 7  o 29.073  8.7737 1247.33   552.829  1247.33   552.829  0.0000    0.0000   29.073  8.7737 ?       ?      ?              ?        
1 1 1 6  16 8  o 14.013  4.9507 213.177   173.056  213.177   173.056  0.0000    0.0000   14.013  4.9507 ?       ?      ?              ?        
1 1 1 6  16 9  o 22.222  6.8156 648.346   331.748  648.346   331.748  0.0000    0.0000   22.222  6.8156 ?       ?      ?              ?        
1 1 1 6  16 10 o 18.314  6.0783 424.742   259.855  424.742   259.855  0.0000    0.0000   18.314  6.0783 ?       ?      ?              ?        
1 1 1 6  16 11 o 14.332  3.6452 215.027   139.865  382.520   212.626  87.276    185.695  17.211  5.4830 11.454  4.8049 5.757643       7.290390 
1 1 1 6  16 12 o 14.651  3.8030 260.507   166.719  512.682   238.600  19.927    233.050  18.478  5.7989 10.824  4.9217 7.654275       7.605936 
1 1 1 6  16 13 o 15.455  4.2043 381.758   201.516  652.731   290.679  131.019   279.617  18.955  6.4298 11.955  5.4187 7.000001       8.408598 
1 1 1 6  16 14 o 11.281  3.3679 173.617   157.787  440.466   210.495  -168.6387 238.388  14.420  5.4033 8.1430  4.0218 6.276885       6.735808 
1 1 1 6  16 15 o 7.0186  2.4900 -138.4766 149.856  -159.7093 198.896  -110.5971 227.911  6.7758  3.3978 7.2615  3.6408 -0.4857340     4.980012 
1 1 1 6  17 0  o 7.8655  2.9672 83.121    67.791   133.554   96.578   34.138    95.180   9.4125  4.4857 6.3186  3.8852 -0.000000      0.000000 
1 1 1 6  17 1  o 39.267  4.8638 1771.53   374.066  1717.17   528.727  1826.01   529.291  38.272  7.1711 40.263  6.5729 -1.991505      9.727646 
1 1 1 6  17 2  o 44.558  7.5969 2809.20   666.434  2986.30   815.243  2452.46   1157.05  49.968  8.1577 39.148  12.818 10.81936       15.19378 
1 1 1 6  17 3  o 32.764  5.3073 1324.71   331.689  1389.26   405.154  1193.51   577.598  35.408  5.7212 30.120  8.9408 5.288837       10.61462 
1 1 1 6  17 4  o 14.568  3.1776 228.018   102.767  189.463   148.299  263.637   142.540  13.608  4.5927 15.529  4.3928 -1.920652      6.355272 
1 1 1 6  17 5  o 24.869  6.9750 761.600   360.976  761.600   360.976  0.0000    0.0000   24.869  6.9750 ?       ?      ?              ?        
1 1 1 6  17 6  o 7.5348  3.3222 -18.1446  97.661   -18.1446  97.661   0.0000    0.0000   7.5348  3.3222 ?       ?      ?              ?        
1 1 1 6  17 7  o 15.170  5.1354 259.792   185.424  259.792   185.424  0.0000    0.0000   15.170  5.1354 ?       ?      ?              ?        
1 1 1 6  17 8  o 25.517  7.6767 901.336   423.708  901.336   423.708  0.0000    0.0000   25.517  7.6767 ?       ?      ?              ?        
1 1 1 6  17 9  f 19.309  6.1718 466.076   269.232  466.076   269.232  0.0000    0.0000   19.309  6.1718 ?       ?      ?              ?        
1 1 1 6  17 10 o 16.633  5.8698 363.710   243.211  363.710   243.211  0.0000    0.0000   16.633  5.8698 ?       ?      ?              ?        
1 1 1 6  17 11 o 16.273  3.7650 293.217   161.294  579.710   239.804  56.530    217.965  21.006  5.6043 11.541  5.0291 9.465168       7.529930 
1 1 1 6  17 12 o 8.8427  2.8849 1.1608    118.637  -48.1292  189.895  32.716    151.938  8.7332  4.1276 8.9522  4.0316 -0.2190113     5.769831 
1 1 1 6  17 13 o 11.447  3.4678 176.177   143.248  121.414   204.655  228.777   200.572  10.716  4.7627 12.178  5.0418 -1.462451      6.935631 
1 1 1 6  17 14 o 8.1757  2.8334 -130.7651 156.712  82.527    226.101  -327.9597 217.402  9.3969  4.4597 6.9545  3.4963 2.442351       5.666799 
1 1 1 6  18 0  o 15.451  4.5707 351.948   141.600  356.039   198.937  347.746   201.596  15.593  6.4338 15.308  6.4941 0.000000       0.000000 
1 1 1 6  18 1  o 45.872  6.1584 2633.08   544.323  2657.37   770.569  2608.88   769.011  46.128  8.6709 45.616  8.7475 0.5119247      12.31678 
1 1 1 6  18 2  o 32.389  5.2226 1266.49   315.760  1213.26   385.357  1375.25   550.844  32.272  6.1958 32.506  8.4092 -0.2343903     10.44524 
1 1 1 6  18 3  o 33.049  5.5446 1401.92   346.135  1380.94   422.814  1444.56   602.711  33.962  6.4609 32.135  9.0127 1.826691       11.08924 
1 1 1 6  18 4  o 14.626  3.2270 232.229   105.840  185.683   148.574  280.188   150.813  13.401  4.5965 15.850  4.5306 -2.448792      6.454011 
1 1 1 6  18 5  o 12.677  4.4714 166.236   141.119  166.236   141.119  0.0000    0.0000   12.677  4.4714 ?       ?      ?              ?        
1 1 1 6  18 6  o 10.147  4.0286 73.552    122.026  73.552    122.026  0.0000    0.0000   10.147  4.0286 ?       ?      ?              ?        
1 1 1 6  18 7  o 21.192  6.3559 574.454   290.783  574.454   290.783  0.0000    0.0000   21.192  6.3559 ?       ?      ?              ?        
1 1 1 6  18 8  o 14.286  5.0830 222.188   182.738  222.188   182.738  0.0000    0.0000   14.286  5.0830 ?       ?      ?              ?        
1 1 1 6  18 9  o 27.768  9.0816 1296.65   580.870  1296.65   580.870  0.0000    0.0000   27.768  9.0816 ?       ?      ?              ?        
1 1 1 6  18 10 o 21.334  7.0663 702.070   351.266  702.070   351.266  0.0000    0.0000   21.334  7.0663 ?       ?      ?              ?        
1 1 1 6  18 11 o 9.5299  4.3107 -9.1655   175.929  -9.1655   175.929  0.0000    0.0000   9.5299  4.3107 ?       ?      ?              ?        
1 1 1 6  18 12 o 9.1241  2.8806 -7.6415   112.518  114.344   160.007  -126.9701 158.255  10.632  4.4601 7.6166  3.6469 3.015025       5.761281 
1 1 1 6  18 13 o 9.1287  3.0714 14.232    154.398  98.111    219.948  -67.2545  216.789  9.7858  4.5665 8.4715  4.1085 1.314294       6.142745 
1 1 1 6  18 14 o 8.2191  2.8375 -22.4065  159.557  -336.1008 234.024  250.076   218.110  6.6842  3.3912 9.7541  4.5503 -3.069855      5.674981 
1 1 1 6  19 0  o 8.0489  2.8264 68.906    68.047   174.318   98.331   -27.9653  94.263   11.010  4.5200 5.0872  3.3945 -0.000000      0.000000 
1 1 1 6  19 1  o 32.728  5.5778 1390.16   348.535  1423.02   426.730  1324.32   604.067  34.673  6.3891 30.783  9.1447 3.890272       11.15554 
1 1 1 6  19 2  o 22.819  3.9664 608.098   171.783  592.479   209.039  640.584   301.474  22.843  4.7312 22.794  6.3676 0.4893112E-01  7.932859 
1 1 1 6  19 3  o 8.2228  2.2292 15.751    44.898   -11.8531  50.286   124.260   99.700   5.4198  2.3871 11.026  3.7655 -5.605852      4.458412 
1 1 1 6  19 4  o 22.970  3.9628 605.614   172.478  538.756   210.543  742.031   300.747  21.477  4.9958 24.464  6.1527 -2.987083      7.925539 
1 1 1 6  19 5  o 18.812  4.1910 440.939   176.204  409.150   245.068  474.961   253.528  18.175  5.8966 19.449  5.9570 -1.274412      8.381911 
1 1 1 6  19 6  o 27.377  8.1948 1072.51   483.728  1072.51   483.728  0.0000    0.0000   27.377  8.1948 ?       ?      ?              ?        
1 1 1 6  19 7  o 23.153  7.0210 720.374   353.394  720.374   353.394  0.0000    0.0000   23.153  7.0210 ?       ?      ?              ?        
1 1 1 6  19 8  o 22.781  7.0915 715.604   357.639  715.604   357.639  0.0000    0.0000   22.781  7.0915 ?       ?      ?              ?        
1 1 1 6  19 9  o 6.9511  3.3608 -189.9840 142.267  -189.9840 142.267  0.0000    0.0000   6.9511  3.3608 ?       ?      ?              ?        
1 1 1 6  19 10 o 14.893  5.7691 342.904   245.072  342.904   245.072  0.0000    0.0000   14.893  5.7691 ?       ?      ?              ?        
1 1 1 6  19 11 o 14.729  5.8221 395.258   253.824  395.258   253.824  0.0000    0.0000   14.729  5.8221 ?       ?      ?              ?        
1 1 1 6  19 12 o 12.773  3.8103 264.099   170.998  463.119   258.754  109.793   227.841  14.943  5.8873 10.603  4.8388 4.339519       7.620646 
1 1 1 6  19 13 o 9.8317  3.2445 114.738   155.168  34.438    205.698  220.768   236.367  8.9433  4.2471 10.720  4.9060 -1.776722      6.488981 
1 1 1 6  19 14 o 10.180  3.3418 158.645   185.472  -330.6255 264.883  629.271   259.786  7.1040  3.6046 13.255  5.6282 -6.151074      6.683533 
1 1 1 6  20 0  o 19.925  5.4876 601.799   209.324  559.724   294.602  644.699   297.478  18.904  7.8343 20.946  7.6864 -0.000000      0.000000 
1 1 1 6  20 1  f 28.155  4.9714 1040.46   270.512  1061.66   331.187  997.953   468.885  29.758  5.7729 26.552  8.0953 3.206396       9.942848 
1 1 1 6  20 2  o 29.266  5.2206 1162.04   297.766  1202.78   364.331  1080.06   516.755  31.473  6.0071 27.060  8.5400 4.413591       10.44112 
1 1 1 6  20 3  o 20.725  3.7942 509.209   151.602  486.974   184.520  555.396   265.938  20.475  4.6162 20.974  6.0227 -0.4986801     7.588316 
1 1 1 6  20 4  o 32.690  6.1553 1603.31   394.462  1508.69   481.351  1796.76   688.301  33.117  7.4480 32.263  9.8019 0.8539467      12.31056 
1 1 1 6  20 5  o 19.727  4.3391 490.563   190.226  540.668   268.668  440.195   269.375  20.702  6.0853 18.752  6.1870 1.949987       8.678129 
1 1 1 6  20 6  o 28.704  6.2589 1258.33   395.286  1211.29   557.450  1305.91   560.602  28.088  8.8705 29.320  8.8322 -1.232288      12.51773 
1 1 1 6  20 7  o 28.298  9.0911 1315.59   583.608  1315.59   583.608  0.0000    0.0000   28.298  9.0911 ?       ?      ?              ?        
1 1 1 6  20 8  f 23.144  7.6458 855.992   411.333  855.992   411.333  0.0000    0.0000   23.144  7.6458 ?       ?      ?              ?        
1 1 1 6  20 9  o 7.0902  3.4298 -183.1319 148.628  -183.1319 148.628  0.0000    0.0000   7.0902  3.4298 ?       ?      ?              ?        
1 1 1 6  20 10 o 11.842  5.0673 209.267   213.556  209.267   213.556  0.0000    0.0000   11.842  5.0673 ?       ?      ?              ?        
1 1 1 6  20 11 o 15.693  6.6186 627.771   355.408  627.771   355.408  0.0000    0.0000   15.693  6.6186 ?       ?      ?              ?        
1 1 1 6  20 12 o 11.537  5.2010 352.732   253.623  352.732   253.623  0.0000    0.0000   11.537  5.2010 ?       ?      ?              ?        
1 1 1 6  20 13 o 7.6021  2.6516 1.6111    143.823  -13.1086  228.128  11.321    185.283  7.6626  3.8105 7.5415  3.6884 0.1211100      5.303238 
1 1 1 6  21 0  o 21.300  5.8090 707.045   236.541  777.442   336.515  638.293   332.560  22.872  8.0901 19.727  8.3383 0.000000       0.000000 
1 1 1 6  21 1  o 23.534  4.2365 695.492   193.367  696.127   237.306  694.238   333.573  24.261  5.0546 22.806  6.8002 1.455837       8.473040 
1 1 1 6  21 2  o 14.688  3.1404 237.847   95.323   228.258   115.135  258.744   169.965  14.277  3.9149 15.098  4.9113 -0.8205919     6.280701 
1 1 1 6  21 3  o 29.702  5.4491 1252.76   319.418  1289.45   389.946  1177.94   556.865  32.069  6.3045 27.334  8.8896 4.734970       10.89826 
1 1 1 6  21 4  o 13.599  3.1532 190.456   91.448   164.954   107.849  255.700   172.504  12.271  3.9045 14.926  4.9523 -2.654510      6.306410 
1 1 1 6  21 5  o 33.581  6.4587 1745.43   429.186  1640.57   522.921  1961.86   751.256  34.151  7.8238 33.011  10.278 1.140759       12.91731 
1 1 1 6  21 6  o 7.7244  2.4865 -140.9510 91.532   49.227    136.240  -297.4146 123.576  9.8919  4.1301 5.5568  2.7700 4.335103       4.973003 
1 1 1 6  21 7  o 11.019  3.0649 83.396    108.976  196.757   147.364  -53.4133  161.889  13.086  4.5726 8.9507  4.0824 4.135683       6.129850 
1 1 1 6  21 8  o 13.757  5.2988 230.319   205.828  230.319   205.828  0.0000    0.0000   13.757  5.2988 ?       ?      ?              ?        
1 1 1 6  21 9  o 7.6550  3.6454 -97.1075  153.628  -97.1075  153.628  0.0000    0.0000   7.6550  3.6454 ?       ?      ?              ?        
1 1 1 6  21 10 o 15.977  6.4549 544.669   318.978  544.669   318.978  0.0000    0.0000   15.977  6.4549 ?       ?      ?              ?        
1 1 1 6  21 11 o 11.560  5.1990 265.678   251.651  265.678   251.651  0.0000    0.0000   11.560  5.1990 ?       ?      ?              ?        
1 1 1 6  21 12 o 7.7955  3.8371 -116.5327 210.799  -116.5327 210.799  0.0000    0.0000   7.7955  3.8371 ?       ?      ?              ?        
1 1 1 6  22 0  o 9.4661  3.5289 140.937   89.123   132.514   129.024  148.622   123.253  9.2330  4.9962 9.6992  4.9850 0.000000       0.000000 
1 1 1 6  22 1  o 31.197  5.7445 1417.24   356.133  1469.93   435.450  1310.82   618.896  34.034  6.6357 28.360  9.3790 5.673811       11.48902 
1 1 1 6  22 2  o 38.817  8.3202 2977.41   706.129  2925.89   863.907  3081.11   1225.67  42.371  10.296 35.262  13.073 7.108509       16.64037 
1 1 1 6  22 3  o 19.841  3.8061 475.545   148.184  465.014   179.332  498.213   263.103  19.948  4.5903 19.734  6.0725 0.2137318      7.612231 
1 1 1 6  22 4  o 31.169  5.8566 1432.58   359.714  1397.56   438.774  1504.36   628.181  32.441  6.9704 29.897  9.4135 2.544031       11.71326 
1 1 1 6  22 5  o 29.596  6.1673 1529.08   383.334  1480.42   466.453  1630.31   672.792  31.358  7.5319 27.834  9.7679 3.524782       12.33455 
1 1 1 6  22 6  o 20.123  4.8284 612.295   232.445  646.732   323.684  575.624   334.011  20.776  6.7785 19.471  6.8779 1.305397       9.656834 
1 1 1 6  22 7  o 12.588  3.5901 187.992   139.662  164.123   200.402  210.533   194.743  12.218  5.0474 12.957  5.1066 -0.7385101     7.180118 
1 1 1 6  22 8  o 9.0943  4.2248 -16.1399  184.908  -16.1399  184.908  0.0000    0.0000   9.0943  4.2248 ?       ?      ?              ?        
1 1 1 6  22 9  o 12.157  4.9902 194.985   194.299  194.985   194.299  0.0000    0.0000   12.157  4.9902 ?       ?      ?              ?        
1 1 1 6  22 10 o 10.694  4.6502 165.352   185.555  165.352   185.555  0.0000    0.0000   10.694  4.6502 ?       ?      ?              ?        
1 1 1 6  22 11 o 6.7947  3.3400 -158.2240 157.945  -158.2240 157.945  0.0000    0.0000   6.7947  3.3400 ?       ?      ?              ?        
1 1 1 6  22 12 o 6.8639  3.4571 -238.7307 217.886  -238.7307 217.886  0.0000    0.0000   6.8639  3.4571 ?       ?      ?              ?        
1 1 1 6  23 0  o 11.422  3.8823 202.905   111.188  289.104   156.838  115.810   157.651  13.844  5.7127 9.0011  5.2588 0.000000       0.000000 
1 1 1 6  23 1  o 21.656  4.0999 619.035   178.975  664.644   218.337  525.621   312.474  23.682  4.7745 19.630  6.6665 4.052906       8.199870 
1 1 1 6  23 2  o 25.558  4.8703 903.134   242.750  827.136   294.256  1065.05   429.504  25.021  5.9645 26.095  7.7008 -1.074842      9.740518 
1 1 1 6  23 3  o 11.213  2.9522 116.284   81.372   97.407    95.826   165.086   154.078  9.9829  3.6633 12.443  4.6306 -2.459782      5.904457 
1 1 1 6  23 4  f 18.665  3.8734 429.038   145.202  373.831   174.328  554.105   262.388  17.298  4.8456 20.032  6.0443 -2.734205      7.746876 
1 1 1 6  23 5  o 11.618  3.2941 107.304   120.436  181.210   166.517  26.236    174.400  12.906  4.8117 10.330  4.5002 2.575134       6.588203 
1 1 1 6  23 6  o 10.647  3.2044 76.687    123.251  146.424   167.008  -6.7225   182.647  11.647  4.6829 9.6469  4.3752 1.999906       6.408732 
1 1 1 6  23 7  o 10.119  3.1794 61.792    132.821  -59.7876  180.863  204.116   195.686  8.4710  4.0111 11.766  4.9340 -3.295027      6.358706 
1 1 1 6  23 8  o 17.780  4.9178 718.448   265.755  894.928   368.120  526.360   384.054  20.178  7.2106 15.381  6.6894 4.797084       9.835681 
1 1 1 6  23 9  o 14.630  6.4856 668.457   377.105  668.457   377.105  0.0000    0.0000   14.630  6.4856 ?       ?      ?              ?        
1 1 1 6  23 10 o 9.7783  4.6298 141.064   240.899  141.064   240.899  0.0000    0.0000   9.7783  4.6298 ?       ?      ?              ?        
1 1 1 6  23 11 o 8.3183  4.0925 109.899   238.885  109.899   238.885  0.0000    0.0000   8.3183  4.0925 ?       ?      ?              ?        
1 1 1 6  24 0  o 20.330  8.5233 717.039   347.955  0.0000    0.0000   717.039   347.955  20.330  8.5233 20.330  8.5233 -0.000000      0.000000 
1 1 1 6  24 1  o 16.081  3.4540 324.873   118.300  336.264   144.215  301.441   206.842  16.740  4.2884 15.422  5.4158 1.317422       6.908041 
1 1 1 6  24 2  o 12.931  3.0704 200.074   97.204   246.441   113.232  70.173    189.524  14.584  3.8322 11.278  4.7984 3.305382       6.140889 
1 1 1 6  24 3  o 24.214  4.8672 863.227   237.173  804.564   288.452  985.653   416.709  24.193  5.9927 24.236  7.6710 -0.4321861E-01 9.734309 
1 1 1 6  24 4  o 15.032  3.6407 305.280   124.015  271.974   148.016  383.737   227.174  14.268  4.5778 15.796  5.6624 -1.527872      7.281372 
1 1 1 6  24 5  o 7.1911  2.3942 -38.1469  62.878   -41.2515  68.363   -21.0934  160.223  5.5887  2.5866 8.7934  4.0298 -3.204735      4.788496 
1 1 1 6  24 6  o 15.421  4.3539 471.699   207.193  565.521   287.730  370.654   298.602  16.820  6.3145 14.023  5.9960 2.796577       8.707730 
1 1 1 6  24 7  o 7.4649  2.5819 -222.8851 131.030  -93.7595  178.501  -373.7639 192.952  8.1839  3.9061 6.7458  3.3775 1.438132       5.163821 
1 1 1 6  24 8  o 9.5194  3.1577 43.247    151.362  3.1498    206.208  90.090    222.879  9.0597  4.2878 9.9791  4.6366 -0.9193258     6.315361 
1 1 1 6  24 9  o 10.208  3.3514 192.898   162.037  249.036   250.779  152.663   212.307  10.615  4.9276 9.8003  4.5438 0.8151426      6.702782 
1 1 1 6  24 10 o 7.6025  3.7384 11.069    198.486  11.069    198.486  0.0000    0.0000   7.6025  3.7384 ?       ?      ?              ?        
1 1 1 6  25 0  o 8.0294  4.8333 91.943    140.714  0.0000    0.0000   91.943    140.714  8.0294  4.8333 8.0294  4.8333 -0.000000      0.000000 
1 1 1 6  25 1  o 9.0990  2.6140 55.835    80.305   115.366   94.439   -99.6043  152.602  10.248  3.6533 7.9497  3.7398 2.298510       5.228034 
1 1 1 6  25 2  o 16.619  3.7129 416.207   144.125  470.276   175.341  303.587   253.058  18.856  4.6732 14.383  5.7709 4.472952       7.425756 
1 1 1 6  25 3  o 13.871  3.5955 303.575   125.347  294.750   146.896  327.208   240.398  14.170  4.5619 13.573  5.5586 0.5968218      7.190950 
1 1 1 6  25 4  o 9.6784  2.8367 95.762    86.071   122.030   95.866   -13.4347  195.463  10.057  3.6681 9.3000  4.3281 0.7568560      5.673368 
1 1 1 6  25 5  o 17.752  4.2686 554.382   180.420  553.213   212.562  557.397   341.232  19.130  5.3478 16.374  6.6547 2.755577       8.537186 
1 1 1 6  25 6  o 9.4871  2.9071 -44.5907  126.151  235.274   168.843  -398.2446 189.800  12.430  4.7959 6.5443  3.2869 5.885547       5.814126 
1 1 1 6  25 7  o 9.2465  3.0787 35.560    146.371  -19.1279  199.628  99.143    215.252  8.6595  4.1324 9.8334  4.5648 -1.173892      6.157477 
1 1 1 6  25 8  o 8.6088  2.9358 -62.0519  150.376  -239.9233 202.701  155.662   224.256  7.1372  3.5561 10.080  4.6723 -2.943225      5.871676 
1 1 1 6  25 9  o 8.1790  2.8640 68.201    171.800  -71.2582  233.378  233.177   253.832  7.4049  3.7086 8.9531  4.3654 -1.548213      5.727985 
1 1 1 6  26 0  o 17.834  8.6397 719.482   359.755  719.482   359.755  0.0000    0.0000   17.834  8.6397 17.834  8.6397 0.000000       0.000000 
1 1 1 6  26 1  o 13.420  3.4508 236.810   112.343  197.450   134.503  327.621   204.303  12.260  4.3610 14.580  5.3491 -2.319691      6.901531 
1 1 1 6  26 2  o 6.8807  2.3269 -88.8493  82.414   -56.3091  95.365   -184.8419 163.794  6.4631  3.0129 7.2983  3.5468 -0.8351774     4.653789 
1 1 1 6  26 3  o 17.113  5.0539 817.821   289.677  883.517   409.892  752.271   409.438  17.799  7.2704 16.426  7.0222 1.373751       10.10788 
1 1 1 6  26 4  o 19.107  5.0117 931.790   261.258  901.424   317.233  995.798   460.578  20.781  6.7054 17.433  7.4502 3.347628       10.02337 
1 1 1 6  26 5  o 8.3604  2.7208 23.015    86.029   13.141    96.006   63.253    193.809  7.2599  3.2420 9.4609  4.3705 -2.201002      5.441651 
1 1 1 6  26 6  o 7.7342  2.7016 -116.6929 141.646  -184.0143 177.930  -0.2075   234.050  6.8532  3.4007 8.6153  4.1987 -1.762033      5.403161 
1 1 1 6  26 7  o 9.2991  3.1121 67.305    155.753  136.704   211.618  -14.7272  230.075  9.8442  4.5543 8.7540  4.2425 1.090159       6.224195 
1 1 1 6  26 8  o 8.1237  2.8356 54.470    165.601  13.255    224.539  103.625   245.215  7.8543  3.8837 8.3931  4.1326 -0.5388722     5.671156 
1 1 1 6  27 0  f 11.399  6.4172 304.305   222.475  304.305   222.475  0.0000    0.0000   11.399  6.4172 11.399  6.4172 0.000000       0.000000 
1 1 1 6  27 1  o 9.2289  2.9089 28.079    110.784  -81.6799  145.069  181.647   171.595  7.3745  3.5202 11.083  4.6320 -3.708853      5.817836 
1 1 1 6  27 2  o 10.599  3.1483 108.531   98.534   37.219    112.882  336.774   201.950  8.0417  3.5574 13.156  5.1955 -5.114707      6.296680 
1 1 1 6  27 3  o 7.3712  2.4279 -9.9717   83.047   22.529    95.324   -112.3330 169.170  7.3241  3.2531 7.4183  3.6050 -0.9420633E-01 4.855786 
1 1 1 6  27 4  o 9.0987  2.5195 84.590    94.283   230.235   108.799  -354.5599 188.923  11.958  3.9313 6.2395  3.1520 5.718342       5.038927 
1 1 1 6  27 5  o 8.5043  2.7695 43.642    92.178   33.586    103.425  82.480    203.255  7.6262  3.3878 9.3825  4.3822 -1.756382      5.539021 
1 1 1 6  27 6  o 7.6270  2.6535 -41.4888  143.953  52.004    194.845  -153.8550 213.607  8.1304  3.9315 7.1235  3.5647 1.006980       5.306987 
1 1 1 6  27 7  o 8.9590  3.0900 130.038   175.779  84.913    223.715  202.845   284.168  8.5959  4.1700 9.3220  4.5610 -0.7261143     6.179948 
1 1 1 6  28 0  o 5.1413  3.6314 -103.3415 150.881  -103.3415 150.881  0.0000    0.0000   5.1413  3.6314 5.1413  3.6314 0.000000       0.000000 
1 1 1 6  28 1  o 12.511  3.8343 391.847   183.060  549.067   262.019  241.928   255.863  14.197  5.8075 10.825  5.0081 3.372093       7.668652 
1 1 1 6  28 2  o 11.449  3.3969 201.586   116.343  126.319   134.771  421.752   230.498  9.5835  4.0606 13.314  5.4467 -3.730547      6.793762 
1 1 1 6  28 3  o 8.1675  2.6095 46.263    96.931   109.777   108.650  -201.4289 214.561  8.9666  3.7113 7.3683  3.6692 1.598309       5.218917 
1 1 1 6  28 4  o 7.5858  2.5873 33.764    107.569  40.987    121.385  7.3429    232.155  7.3217  3.4085 7.8499  3.8935 -0.5281110     5.174674 
1 1 1 6  28 5  o 6.7100  2.3206 -60.3398  97.295   -5.8944   106.783  -326.5072 236.102  6.6701  3.1348 6.7500  3.4226 -0.7992125E-01 4.641249 
1 1 1 6  29 0  o 8.5645  5.5202 240.903   218.747  240.903   218.747  0.0000    0.0000   8.5645  5.5202 8.5645  5.5202 0.000000       0.000000 
1 1 1 6  29 1  o 7.2108  2.4587 -49.0943  113.465  93.008    146.518  -261.9866 179.338  8.2443  3.8055 6.1772  3.1145 2.067079       4.917497 
1 1 1 6  29 2  o 9.2576  2.9517 110.121   104.393  16.412    123.744  341.457   194.426  7.2565  3.3989 11.259  4.8268 -4.002155      5.903389 
1 1 1 7  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  1  2  o 113.646 20.089 16307.88  4555.91  15684.54  6438.34  16933.04  6447.74  111.098 28.754 116.195 28.062 -5.097893      40.17758 
1 1 1 7  1  3  o 85.504  13.886 8237.12   2324.88  8417.32   3289.33  8057.23   3286.42  86.523  19.478 84.484  19.796 2.038445       27.77177 
1 1 1 7  1  4  o 84.129  13.720 8021.78   2261.96  8253.21   3201.30  7791.05   3196.50  85.455  19.199 82.804  19.605 2.651566       27.44030 
1 1 1 7  1  5  o 113.009 16.537 15108.66  3457.77  12775.37  5985.29  16277.49  4236.21  102.382 28.290 123.636 17.132 -21.25346      33.07306 
1 1 1 7  1  6  o 84.667  12.625 8830.02   1990.65  6222.11   3441.45  10141.33  2440.33  71.475  21.957 97.858  12.469 -26.38305      25.25015 
1 1 1 7  1  7  o 89.504  9.7365 8779.08   1742.74  8651.47   2464.47  8906.71   2464.73  88.791  13.878 90.216  13.660 -1.424973      19.47298 
1 1 1 7  1  8  o 24.294  3.0986 610.864   147.408  586.666   208.807  634.906   208.129  23.598  4.5894 24.989  4.1645 -1.390266      6.197204 
1 1 1 7  1  9  o 44.146  5.2924 2188.01   457.995  2152.25   647.872  2223.74   647.534  43.417  7.7451 44.876  7.2147 -1.458797      10.58487 
1 1 1 7  1  10 o 39.163  4.7329 1705.94   361.209  1545.73   510.060  1867.11   511.598  36.816  7.1850 41.509  6.1625 -4.692814      9.465758 
1 1 1 7  1  11 o 21.506  3.7048 556.313   162.581  676.653   200.141  322.829   278.779  25.412  3.9379 17.600  6.2764 7.812374       7.409512 
1 1 1 7  1  12 o 20.498  3.8220 484.198   153.067  445.355   188.804  558.688   261.460  19.606  4.8433 21.390  5.9138 -1.783716      7.643949 
1 1 1 7  1  13 o 13.076  3.1359 186.573   94.110   191.940   113.429  174.717   168.582  13.088  3.9797 13.064  4.8473 0.2393627E-01  6.271701 
1 1 1 7  1  14 o 10.373  3.9423 94.802    112.970  94.802    112.970  0.0000    0.0000   10.373  3.9423 ?       ?      ?              ?        
1 1 1 7  1  15 o 22.802  5.5805 674.748   252.423  674.748   252.423  0.0000    0.0000   22.802  5.5805 ?       ?      ?              ?        
1 1 1 7  1  16 o 17.653  5.5991 534.843   221.912  534.843   221.912  0.0000    0.0000   17.653  5.5991 ?       ?      ?              ?        
1 1 1 7  1  17 o 7.9470  3.6319 13.280    128.936  13.280    128.936  0.0000    0.0000   7.9470  3.6319 ?       ?      ?              ?        
1 1 1 7  1  18 o 8.4173  3.8885 128.310   153.432  128.310   153.432  0.0000    0.0000   8.4173  3.8885 ?       ?      ?              ?        
1 1 1 7  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  2  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  2  3  o 135.570 24.637 24060.70  6716.49  23921.17  9492.86  24200.57  9504.25  135.115 34.888 136.025 34.795 -0.9102783     49.27332 
1 1 1 7  2  4  o 78.060  12.645 6825.27   1932.38  7107.86   2734.50  6543.39   2731.10  79.813  17.604 76.307  18.158 3.505760       25.29056 
1 1 1 7  2  5  o 130.365 21.052 23754.80  5480.41  14057.67  9493.84  28601.08  6711.57  100.504 36.526 160.225 20.944 -59.72070      42.10491 
1 1 1 7  2  6  o 120.600 13.406 16524.26  3232.24  16981.73  4568.35  16065.70  4573.81  122.508 18.645 118.691 19.268 3.817413       26.81199 
1 1 1 7  2  7  o 87.771  9.7717 8556.04   1714.03  8209.68   2424.34  8902.22   2423.67  85.797  14.128 89.745  13.503 -3.947792      19.54337 
1 1 1 7  2  8  o 25.403  3.1979 669.287   158.985  703.944   225.074  634.775   224.604  26.287  4.2811 24.520  4.7516 1.767124       6.395757 
1 1 1 7  2  9  o 23.703  3.2126 604.253   146.755  609.502   207.449  598.995   207.637  23.816  4.5205 23.590  4.5659 0.2259655      6.425157 
1 1 1 7  2  10 o 28.056  3.5651 849.273   195.741  800.791   275.832  898.456   277.818  26.965  5.3036 29.148  4.7657 -2.182495      7.130198 
1 1 1 7  2  11 o 22.206  3.1837 539.557   136.550  531.743   193.549  547.301   192.677  22.027  4.5443 22.386  4.4601 -0.3596363     6.367372 
1 1 1 7  2  12 o 28.888  3.9972 988.416   225.966  857.479   318.813  1120.59   320.321  26.378  6.1555 31.397  5.1011 -5.019361      7.994459 
1 1 1 7  2  13 o 12.282  2.9991 152.615   87.335   126.274   110.185  197.132   143.241  11.178  3.9502 13.386  4.5137 -2.208089      5.998168 
1 1 1 7  2  14 o 24.855  5.4679 753.129   264.428  753.129   264.428  0.0000    0.0000   24.855  5.4679 ?       ?      ?              ?        
1 1 1 7  2  15 o 20.604  5.1647 532.914   212.416  532.914   212.416  0.0000    0.0000   20.604  5.1647 ?       ?      ?              ?        
1 1 1 7  2  16 o 9.4977  4.0356 79.818    133.730  79.818    133.730  0.0000    0.0000   9.4977  4.0356 ?       ?      ?              ?        
1 1 1 7  2  17 o 9.8312  4.2640 125.078   155.195  125.078   155.195  0.0000    0.0000   9.8312  4.2640 ?       ?      ?              ?        
1 1 1 7  2  18 o 8.7324  4.0654 156.160   172.709  156.160   172.709  0.0000    0.0000   8.7324  4.0654 ?       ?      ?              ?        
1 1 1 7  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  3  3  o 121.911 30.249 18565.54  7340.27  0.0000    0.0000   18565.54  7340.27  ?       ?      121.911 30.249 ?              ?        
1 1 1 7  3  4  o 82.766  13.425 7704.44   2175.06  7611.11   3072.05  7798.26   3079.95  82.227  19.053 83.305  18.917 -1.078857      26.84955 
1 1 1 7  3  5  o 52.543  7.6337 3085.23   739.217  2397.97   1282.26  3427.34   904.683  47.059  13.127 58.027  7.7954 -10.96776      15.26750 
1 1 1 7  3  6  o 106.507 11.702 12563.61  2492.59  12606.75  3526.24  12520.52  3523.88  106.705 16.523 106.308 16.574 0.3971329      23.40332 
1 1 1 7  3  7  o 78.813  9.2386 7052.56   1423.90  6694.44   2014.62  7410.04   2012.79  75.969  13.766 81.657  12.325 -5.687965      18.47729 
1 1 1 7  3  8  o 21.703  2.9640 495.313   123.991  480.564   174.444  510.372   176.270  21.360  4.2330 22.045  4.1502 -0.6852016     5.928080 
1 1 1 7  3  9  o 23.288  3.1553 586.100   141.613  576.366   199.725  595.941   200.822  23.080  4.4884 23.497  4.4360 -0.4166927     6.310611 
1 1 1 7  3  10 o 26.464  3.6491 778.429   186.174  809.396   262.885  747.270   263.697  27.061  5.0427 25.867  5.2759 1.194407       7.298256 
1 1 1 7  3  11 o 39.317  5.1124 1829.48   387.175  1797.69   545.990  1861.64   549.119  38.923  7.2813 39.710  7.1783 -0.7871399     10.22473 
1 1 1 7  3  12 o 23.367  3.5038 634.520   158.701  671.787   224.077  597.012   224.798  24.168  4.8051 22.566  5.1008 1.602003       7.007658 
1 1 1 7  3  13 o 18.045  3.3289 411.414   140.023  566.437   172.907  116.041   238.672  22.898  3.7755 13.192  5.4837 9.706723       6.657716 
1 1 1 7  3  14 o 22.075  3.9932 672.854   200.378  873.157   244.681  264.960   349.163  27.928  4.3806 16.223  6.6779 11.70510       7.986458 
1 1 1 7  3  15 o 14.178  4.4387 238.104   139.892  238.104   139.892  0.0000    0.0000   14.178  4.4387 ?       ?      ?              ?        
1 1 1 7  3  16 o 5.9385  2.9115 -178.9758 117.587  -178.9758 117.587  0.0000    0.0000   5.9385  2.9115 ?       ?      ?              ?        
1 1 1 7  3  17 o 15.658  5.9026 594.629   251.922  594.629   251.922  0.0000    0.0000   15.658  5.9026 ?       ?      ?              ?        
1 1 1 7  3  18 f 8.0887  3.8140 78.111    160.399  78.111    160.399  0.0000    0.0000   8.0887  3.8140 ?       ?      ?              ?        
1 1 1 7  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  4  4  o 102.421 23.797 12048.50  4781.77  0.0000    0.0000   12048.50  4781.77  ?       ?      102.421 23.797 ?              ?        
1 1 1 7  4  5  o 126.449 18.553 19223.36  4357.51  24784.48  7542.26  16437.09  5338.67  137.419 28.382 115.479 23.903 21.93986       37.10655 
1 1 1 7  4  6  o 113.120 12.588 14524.80  2846.65  14076.50  4025.51  14973.22  4026.04  111.139 18.110 115.101 17.489 -3.961578      25.17637 
1 1 1 7  4  7  o 31.464  3.6640 1027.53   225.488  1091.59   320.567  964.782   317.235  32.691  4.9029 30.236  5.4463 2.455400       7.328082 
1 1 1 7  4  8  o 64.187  7.7495 4742.26   973.743  4571.70   1377.78  4912.48   1376.38  62.373  11.467 66.001  10.427 -3.627281      15.49898 
1 1 1 7  4  9  o 44.871  5.6376 2381.93   495.067  2271.77   698.839  2492.91   701.430  43.295  8.3735 46.447  7.5508 -3.152504      11.27520 
1 1 1 7  4  10 o 24.491  3.2830 656.649   157.144  730.328   222.499  583.319   221.973  26.198  4.2465 22.784  5.0079 3.414648       6.565934 
1 1 1 7  4  11 o 13.233  2.6312 188.438   72.892   218.055   105.261  161.150   101.039  14.155  3.6829 12.311  3.7588 1.843860       5.262381 
1 1 1 7  4  12 o 22.053  4.0868 584.792   174.471  569.748   211.585  616.754   308.401  22.133  4.9085 21.973  6.5356 0.1601715      8.173578 
1 1 1 7  4  13 o 22.043  4.0146 559.992   169.268  498.226   205.161  691.676   299.560  20.601  5.0243 23.484  6.2630 -2.882166      8.029253 
1 1 1 7  4  14 o 17.287  3.6613 360.978   133.868  369.660   166.143  344.909   226.025  17.730  4.6338 16.844  5.6700 0.8861828      7.322644 
1 1 1 7  4  15 o 13.668  3.4284 224.538   115.747  235.057   143.954  205.301   194.677  13.925  4.5194 13.412  5.1566 0.5129385      6.856763 
1 1 1 7  4  16 f 10.895  4.3725 135.752   145.304  135.752   145.304  0.0000    0.0000   10.895  4.3725 ?       ?      ?              ?        
1 1 1 7  4  17 o 7.9312  3.6811 15.105    139.887  15.105    139.887  0.0000    0.0000   7.9312  3.6811 ?       ?      ?              ?        
1 1 1 7  4  18 o 9.3723  4.2433 178.846   170.932  178.846   170.932  0.0000    0.0000   9.3723  4.2433 ?       ?      ?              ?        
1 1 1 7  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  5  4  o 68.500  15.466 5134.44   2068.72  0.0000    0.0000   5134.44   2068.72  ?       ?      68.500  15.466 ?              ?        
1 1 1 7  5  5  o 85.630  12.170 8365.77   1927.73  8042.23   3337.78  8527.70   2361.38  81.874  20.445 89.387  13.209 -7.512810      24.34095 
1 1 1 7  5  6  o 108.709 12.147 13369.91  2641.08  13395.63  3733.29  13344.15  3736.80  108.835 17.151 108.584 17.207 0.2501984      24.29493 
1 1 1 7  5  7  o 53.199  5.6827 2987.16   604.081  2852.43   854.998  3121.44   853.602  51.932  8.2319 54.465  7.8362 -2.533138      11.36534 
1 1 1 7  5  8  o 28.634  3.5254 860.075   196.899  782.406   278.684  937.492   278.230  27.055  5.3400 30.214  4.6043 -3.159513      7.050862 
1 1 1 7  5  9  o 43.839  5.5678 2258.78   470.230  2268.10   664.654  2249.44   665.358  43.952  7.8491 43.726  7.8990 0.2261505      11.13564 
1 1 1 7  5  10 o 37.126  5.4662 1528.29   378.098  1202.41   461.769  2191.21   658.620  31.694  7.4164 42.559  8.0322 -10.86554      10.93248 
1 1 1 7  5  11 o 17.116  3.3650 353.640   122.690  425.353   149.061  203.004   216.038  19.693  3.9223 14.539  5.4689 5.154269       6.730071 
1 1 1 7  5  12 o 21.769  3.9851 611.288   175.809  701.341   213.652  422.433   309.401  24.938  4.4467 18.599  6.6144 6.339085       7.970123 
1 1 1 7  5  13 o 21.093  3.9204 585.855   169.860  674.279   207.058  403.891   297.029  24.260  4.4308 17.925  6.4690 6.334408       7.840889 
1 1 1 7  5  14 o 15.160  3.4976 272.777   118.868  271.631   147.445  274.905   200.903  15.148  4.5221 15.171  5.3369 -0.2329159E-01 6.995108 
1 1 1 7  5  15 o 15.799  3.8537 330.592   138.278  278.992   165.050  452.089   253.262  14.481  4.8454 17.118  5.9938 -2.636721      7.707357 
1 1 1 7  5  16 o 8.6596  2.7453 -15.0299  106.742  84.166    127.104  -252.3871 196.614  9.6789  4.0108 7.6404  3.7497 2.038421       5.490625 
1 1 1 7  5  17 o 10.887  3.3942 265.970   144.371  268.565   182.935  261.686   235.076  11.172  4.7322 10.603  4.8671 0.5696592      6.788372 
1 1 1 7  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  6  5  o 37.682  5.5938 1437.12   421.568  0.0000    0.0000   1437.12   421.568  ?       ?      37.682  5.5938 ?              ?        
1 1 1 7  6  6  o 37.718  4.1202 1449.53   310.804  1436.80   439.121  1462.31   439.966  37.549  5.8473 37.886  5.8064 -0.3368492     8.240480 
1 1 1 7  6  7  o 69.792  7.8632 5428.55   1097.54  5380.36   1551.09  5476.87   1553.23  69.452  11.167 70.132  11.074 -0.6804276     15.72635 
1 1 1 7  6  8  o 20.214  2.9678 435.308   116.071  471.064   163.657  399.118   164.646  21.106  4.0239 19.323  4.3635 1.782690       5.935695 
1 1 1 7  6  9  o 33.677  5.4240 1521.92   383.274  2014.25   469.810  542.214   662.735  43.531  5.3963 23.824  9.4106 19.70704       10.84802 
1 1 1 7  6  10 o 28.156  4.6863 1009.47   263.263  1207.12   321.424  606.639   458.871  33.577  4.7863 22.734  8.0583 10.84348       9.372581 
1 1 1 7  6  11 o 8.0944  2.3237 27.229    54.970   14.470    66.077   55.908    99.063   6.9521  2.8873 9.2367  3.6416 -2.284535      4.647304 
1 1 1 7  6  12 o 23.524  4.1185 732.705   201.232  876.926   246.278  443.000   349.052  28.167  4.3718 18.882  6.9810 9.285366       8.236926 
1 1 1 7  6  13 o 26.940  4.8747 1052.48   276.128  1201.17   337.105  749.295   481.369  31.847  5.2926 22.033  8.1878 9.813904       9.749424 
1 1 1 7  6  14 o 8.6938  2.6831 14.645    80.021   25.172    92.869   -15.6992  157.677  8.0739  3.3931 9.3136  4.1572 -1.239758      5.366135 
1 1 1 7  6  15 o 15.563  3.6895 364.321   143.704  425.339   172.881  227.901   258.496  17.791  4.7637 13.334  5.6353 4.456640       7.379010 
1 1 1 7  6  16 f 11.130  3.3234 141.148   116.308  118.186   136.328  202.564   222.956  10.247  4.1901 12.012  5.1598 -1.764658      6.646798 
1 1 1 7  6  17 o 8.0086  2.7053 0.5917    113.166  13.702    131.645  -36.5216  221.498  7.6752  3.5653 8.3420  4.0697 -0.6668787     5.410507 
1 1 1 7  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  7  6  o 62.446  8.8221 4390.05   1016.50  5070.39   1760.27  4049.67   1245.08  64.940  13.968 59.951  10.781 4.989708       17.64413 
1 1 1 7  7  7  o 62.761  7.0799 4380.77   888.350  4500.30   1255.34  4260.86   1257.30  63.720  9.8504 61.801  10.172 1.918556       14.15986 
1 1 1 7  7  8  f 35.946  5.9138 1703.41   426.197  2067.50   519.883  957.270   744.239  43.750  5.9415 28.143  10.227 15.60758       11.82760 
1 1 1 7  7  9  o 59.703  11.351 6403.44   1480.07  7160.08   1812.94  4891.29   2562.93  72.058  13.061 47.348  18.569 24.71022       22.70181 
1 1 1 7  7  10 o 9.3870  2.5047 66.396    58.162   60.611    67.678   82.738    113.753  8.4329  3.0810 10.341  3.9498 -1.908228      5.009370 
1 1 1 7  7  11 o 14.146  3.2601 204.803   97.884   187.930   115.180  248.671   185.720  13.158  4.0124 15.135  5.1395 -1.976847      6.520226 
1 1 1 7  7  12 o 16.327  3.3325 321.939   115.154  360.496   142.305  248.800   195.996  17.794  4.0850 14.859  5.2666 2.935467       6.665096 
1 1 1 7  7  13 o 13.498  3.2575 193.393   99.825   189.481   119.152  202.606   182.837  13.095  4.0960 13.901  5.0663 -0.8061266     6.514983 
1 1 1 7  7  14 o 24.856  4.8883 843.231   239.931  733.671   291.603  1072.87   422.171  23.295  6.1634 26.417  7.5892 -3.121500      9.776637 
1 1 1 7  7  15 o 21.866  4.8991 842.245   245.116  875.455   302.069  778.219   419.422  24.079  6.2263 19.653  7.5656 4.425377       9.798213 
1 1 1 7  7  16 o 10.341  3.2143 107.375   127.568  135.788   155.896  49.790    221.934  10.583  4.4182 10.100  4.6697 0.4824514      6.428575 
1 1 1 7  7  17 o 8.6590  2.9113 -13.9596  126.297  -98.3051  154.726  154.443   218.628  7.1783  3.4789 10.140  4.6690 -2.961396      5.822577 
1 1 1 7  8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  8  6  o 53.618  8.1670 3457.18   820.705  2659.19   1421.57  3856.11   1005.13  46.926  14.049 60.310  8.3330 -13.38454      16.33408 
1 1 1 7  8  7  o 53.179  8.4733 3534.45   1022.13  5942.93   1444.99  1122.44   1446.04  72.558  9.9575 33.800  13.713 38.75807       16.94667 
1 1 1 7  8  8  o 30.769  4.9056 1094.66   280.903  1090.51   342.339  1103.22   491.442  31.347  5.6691 30.192  8.0076 1.155720       9.811253 
1 1 1 7  8  9  o 18.081  3.3573 347.288   114.927  318.964   136.719  415.508   212.179  17.047  4.0669 19.114  5.3428 -2.067104      6.714561 
1 1 1 7  8  10 o 13.297  3.0081 173.348   81.810   159.840   94.661   213.212   162.620  12.263  3.6142 14.331  4.8095 -2.067421      6.016129 
1 1 1 7  8  11 o 21.004  3.8984 569.519   168.591  665.350   204.562  366.594   297.672  24.331  4.3641 17.677  6.4611 6.654192       7.796846 
1 1 1 7  8  12 o 22.311  4.2116 616.768   182.092  593.638   219.096  668.427   327.438  22.318  5.0290 22.304  6.7571 0.1406097E-01  8.423108 
1 1 1 7  8  13 o 11.006  2.8543 117.911   80.107   130.463   97.350   91.589    140.976  11.114  3.7212 10.898  4.3290 0.2157822      5.708590 
1 1 1 7  8  14 o 20.190  3.6565 599.037   182.619  824.057   221.851  126.119   321.620  26.736  4.1490 13.645  6.0221 13.09034       7.312968 
1 1 1 7  8  15 o 14.339  3.8106 344.982   146.753  346.519   177.609  341.674   260.535  14.896  5.0261 13.781  5.7291 1.115206       7.621295 
1 1 1 7  8  16 o 16.057  3.8199 521.386   181.586  676.802   219.900  188.242   321.954  20.429  5.3271 11.686  5.4763 8.742782       7.639894 
1 1 1 7  8  17 o 10.853  3.2267 229.625   136.273  350.023   171.899  25.981    223.564  12.958  4.8775 8.7481  4.2256 4.209429       6.453378 
1 1 1 7  9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  9  7  o 48.516  9.4661 3300.03   953.507  3623.62   1346.78  2974.82   1350.15  51.434  13.066 45.597  13.700 5.836998       18.93223 
1 1 1 7  9  8  o 47.877  8.2497 3108.55   907.863  1354.01   1280.77  4880.44   1287.08  32.448  12.996 63.306  10.166 -30.85775      16.49935 
1 1 1 7  9  9  o 49.269  8.5539 3375.63   800.263  2967.93   977.964  4201.92   1392.25  46.713  10.698 51.824  13.350 -5.110847      17.10783 
1 1 1 7  9  10 o 28.932  4.7442 965.379   257.088  834.653   313.062  1236.12   450.529  26.517  6.0382 31.347  7.3191 -4.829004      9.488372 
1 1 1 7  9  11 o 22.140  4.1564 602.257   180.221  611.176   218.216  583.123   319.627  22.968  4.8998 21.313  6.7154 1.655729       8.312900 
1 1 1 7  9  12 o 28.957  5.0852 1043.42   281.477  886.685   345.101  1354.93   486.510  26.400  6.5640 31.513  7.7686 -5.113651      10.17034 
1 1 1 7  9  13 o 15.814  3.4676 277.270   113.273  248.684   134.902  345.599   208.568  14.719  4.3079 16.908  5.4351 -2.188670      6.935242 
1 1 1 7  9  14 o 28.254  5.2267 1356.81   346.544  1657.03   425.911  768.727   596.101  35.959  5.9221 20.550  8.6141 15.40974       10.45345 
1 1 1 7  9  15 o 10.747  3.1080 142.090   108.722  182.419   128.449  40.196    204.171  11.590  4.2430 9.9042  4.5426 1.685638       6.215973 
1 1 1 7  9  16 o 11.100  3.3872 202.552   134.960  206.630   163.663  193.886   238.576  11.258  4.5957 10.942  4.9772 0.3154449      6.774440 
1 1 1 7  9  17 o 9.7478  3.2467 254.080   148.011  141.628   176.062  525.081   273.318  8.5994  4.0363 10.896  5.0866 -2.296865      6.493497 
1 1 1 7  10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  10 7  o 27.123  7.2470 868.512   400.604  0.0000    0.0000   868.512   400.604  ?       ?      27.123  7.2470 ?              ?        
1 1 1 7  10 8  o 33.557  5.8229 1410.25   445.271  593.336   628.341  2234.32   631.085  23.205  9.1641 43.910  7.1862 -20.70466      11.64571 
1 1 1 7  10 9  o 30.938  4.8685 1147.46   356.120  2084.69   501.589  194.837   505.694  43.441  5.7732 18.436  7.8408 25.00520       9.736959 
1 1 1 7  10 10 o 28.103  4.7775 1052.92   270.872  1237.46   329.005  664.649   477.226  33.515  4.9083 22.691  8.1980 10.82402       9.555068 
1 1 1 7  10 11 f 33.484  6.3309 1691.17   418.762  1638.04   510.956  1799.86   730.843  34.775  7.5620 32.192  10.156 2.583195       12.66188 
1 1 1 7  10 12 o 23.943  3.9190 830.846   213.513  1143.19   262.148  215.339   368.000  32.137  4.0786 15.749  6.6932 16.38790       7.837978 
1 1 1 7  10 13 o 18.531  4.1167 451.434   163.499  443.804   196.346  468.690   295.275  18.780  5.0971 18.283  6.4659 0.4973106      8.233395 
1 1 1 7  10 14 o 13.645  2.7622 260.124   106.299  393.952   123.105  -132.1195 210.755  18.293  3.4923 8.9980  4.2806 9.294697       5.524439 
1 1 1 7  10 15 o 14.529  3.6346 329.330   143.786  404.589   175.123  173.644   251.879  16.825  4.9037 12.232  5.3662 4.592945       7.269240 
1 1 1 7  10 16 o 11.163  3.3543 252.539   136.431  284.704   162.463  175.593   251.278  12.165  4.7014 10.160  4.7855 2.004987       6.708558 
1 1 1 7  10 17 o 8.6630  2.9234 122.899   137.673  117.177   166.638  135.202   244.360  8.5650  3.9894 8.7610  4.2742 -0.1959925     5.846771 
1 1 1 7  11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  11 8  o 32.496  5.2827 1258.89   405.071  275.415   570.425  2259.31   575.320  20.014  8.4099 44.979  6.3954 -24.96550      10.56541 
1 1 1 7  11 9  o 18.454  3.5041 356.246   152.460  86.299    208.033  669.446   224.081  12.473  5.1469 24.434  4.7565 -11.96077      7.008197 
1 1 1 7  11 10 o 14.353  3.2154 173.909   113.120  31.643    142.898  412.697   185.132  9.9028  4.1877 18.803  4.8803 -8.900556      6.430783 
1 1 1 7  11 11 o 14.592  3.0154 269.772   107.207  365.898   125.544  10.910    206.020  18.143  3.5870 11.041  4.8481 7.101934       6.030799 
1 1 1 7  11 12 o 13.903  2.9734 226.811   106.630  344.102   129.764  -17.0477  187.107  17.517  3.8122 10.288  4.5642 7.229042       5.946822 
1 1 1 7  11 13 o 28.675  4.7824 1419.69   335.473  1892.05   409.720  458.903   584.343  39.342  5.2072 18.008  8.0231 21.33385       9.564758 
1 1 1 7  11 14 o 15.246  3.3719 334.322   125.390  407.039   146.488  135.006   242.523  18.177  4.1241 12.315  5.3358 5.861910       6.743814 
1 1 1 7  11 15 o 12.985  3.0814 268.597   115.607  358.535   133.386  -2.9365   231.766  16.217  4.1079 9.7518  4.5940 6.465523       6.162742 
1 1 1 7  11 16 o 11.728  3.5430 239.358   140.240  86.672    169.395  572.014   250.033  8.9883  4.1281 14.467  5.7594 -5.478839      7.086045 
1 1 1 7  12 0  o 2.0771  1.4429 -18.8218  21.082   0.0000    0.0000   -18.8218  21.082   2.0771  1.4429 2.0771  1.4429 0.000000       0.000000 
1 1 1 7  12 1  o 22.062  5.7040 518.832   253.538  0.0000    0.0000   518.832   253.538  ?       ?      22.062  5.7040 ?              ?        
1 1 1 7  12 2  o 20.923  5.4627 465.367   231.053  0.0000    0.0000   465.367   231.053  ?       ?      20.923  5.4627 ?              ?        
1 1 1 7  12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  12 9  o 38.936  8.4823 2558.35   741.473  3001.98   1048.84  2115.13   1048.36  43.249  11.798 34.622  12.190 8.626717       16.96461 
1 1 1 7  12 10 o 24.184  4.2464 737.169   241.005  1168.26   331.741  255.347   350.717  31.938  5.1934 16.430  6.7197 15.50834       8.492714 
1 1 1 7  12 11 o 24.709  5.0063 839.658   279.144  1127.74   384.205  517.556   406.255  29.624  6.6479 19.793  7.4872 9.831720       10.01267 
1 1 1 7  12 12 o 26.739  5.7710 1068.97   349.662  774.365   484.923  1388.04   504.661  22.570  8.2470 30.909  8.0749 -8.338600      11.54202 
1 1 1 7  12 13 o 13.936  3.2431 244.134   113.416  312.503   131.692  47.814    223.157  16.309  4.0548 11.564  5.0625 4.744958       6.486117 
1 1 1 7  12 14 o 8.4596  2.7426 14.420    88.843   19.478    99.217   -6.0477   199.570  7.6438  3.3602 9.2754  4.3356 -1.631678      5.485266 
1 1 1 7  12 15 o 15.564  3.9124 482.806   166.453  528.038   196.619  368.381   312.725  17.983  5.1829 13.145  5.8620 4.838054       7.824718 
1 1 1 7  12 16 o 11.178  3.5301 285.236   160.127  280.343   195.256  295.285   279.828  11.437  4.8683 10.919  5.1133 0.5179844      7.060231 
1 1 1 7  13 0  o 12.331  5.3047 219.083   134.207  0.0000    0.0000   219.083   134.207  12.331  5.3047 12.331  5.3047 0.000000       0.000000 
1 1 1 7  13 1  o 75.848  16.748 10019.75  2820.60  10337.42  3989.53  9702.27   3988.34  77.440  23.614 74.255  23.756 3.184372       33.49620 
1 1 1 7  13 2  o 54.281  9.8594 3752.23   1076.30  3837.76   1525.68  3667.50   1518.57  54.977  13.875 53.584  14.011 1.392876       19.71887 
1 1 1 7  13 3  o 18.649  5.1548 371.669   198.684  371.669   198.684  0.0000    0.0000   18.649  5.1548 ?       ?      ?              ?        
1 1 1 7  13 4  o 41.099  11.020 2214.97   924.391  2214.97   924.391  0.0000    0.0000   41.099  11.020 ?       ?      ?              ?        
1 1 1 7  13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 7  13 9  o 28.177  8.5625 1165.83   525.198  0.0000    0.0000   1165.83   525.198  ?       ?      28.177  8.5625 ?              ?        
1 1 1 7  13 10 o 27.394  8.7517 1206.34   541.420  0.0000    0.0000   1206.34   541.420  ?       ?      27.394  8.7517 ?              ?        
1 1 1 7  13 11 f 17.860  5.7432 386.736   232.870  0.0000    0.0000   386.736   232.870  ?       ?      17.860  5.7432 ?              ?        
1 1 1 7  13 12 f 20.010  6.6684 582.735   312.645  0.0000    0.0000   582.735   312.645  ?       ?      20.010  6.6684 ?              ?        
1 1 1 7  13 13 o 13.850  5.5251 264.620   230.546  0.0000    0.0000   264.620   230.546  ?       ?      13.850  5.5251 ?              ?        
1 1 1 7  13 14 o 10.691  3.2043 88.152    125.787  204.803   175.310  -35.6250  180.585  12.363  4.8539 9.0187  4.1847 3.344177       6.408693 
1 1 1 7  13 15 o 9.2384  2.9308 85.151    95.572   85.238    104.705  84.717    233.979  8.7156  3.6283 9.7611  4.6037 -1.045502      5.861643 
1 1 1 7  13 16 o 9.1348  3.0086 213.373   135.316  221.946   164.875  195.684   236.839  9.4822  4.2404 8.7874  4.2692 0.6947622      6.017241 
1 1 1 7  14 0  f 72.491  30.193 10991.73  4371.02  0.0000    0.0000   10991.73  4371.02  72.491  30.193 72.491  30.193 0.000000       0.000000 
1 1 1 7  14 1  o 66.114  17.371 10907.99  3063.80  11036.77  4335.94  10779.58  4329.79  66.613  24.609 65.616  24.522 0.9966354      34.74120 
1 1 1 7  14 2  o 18.676  3.6227 377.501   140.781  451.870   201.559  306.661   196.718  20.364  4.9884 16.989  5.2546 3.374311       7.245367 
1 1 1 7  14 3  o 24.939  6.6441 719.905   337.357  719.905   337.357  0.0000    0.0000   24.939  6.6441 ?       ?      ?              ?        
1 1 1 7  14 4  o 37.044  9.8009 1737.44   737.374  1737.44   737.374  0.0000    0.0000   37.044  9.8009 ?       ?      ?              ?        
1 1 1 7  14 5  o 6.8784  2.8713 11.003    65.828   11.003    65.828   0.0000    0.0000   6.8784  2.8713 ?       ?      ?              ?        
1 1 1 7  14 6  o 27.133  7.3725 886.801   410.498  886.801   410.498  0.0000    0.0000   27.133  7.3725 ?       ?      ?              ?        
1 1 1 7  14 7  o 44.410  16.940 5174.57   2090.61  5174.57   2090.61  0.0000    0.0000   44.410  16.940 ?       ?      ?              ?        
1 1 1 7  14 8  o 37.875  13.814 3309.00   1359.56  3309.00   1359.56  0.0000    0.0000   37.875  13.814 ?       ?      ?              ?        
1 1 1 7  14 9  o 22.333  6.7962 651.509   330.702  651.509   330.702  0.0000    0.0000   22.333  6.7962 ?       ?      ?              ?        
1 1 1 7  14 10 o 24.204  4.6603 761.773   260.788  1190.89   370.090  338.544   367.544  30.978  6.1899 17.429  6.9684 13.54945       9.320574 
1 1 1 7  14 11 o 12.432  3.2901 108.656   125.148  278.892   175.373  -67.9910  178.644  15.441  4.9859 9.4227  4.2941 6.018003       6.580193 
1 1 1 7  14 12 o 17.106  4.3543 401.272   191.977  474.972   273.910  330.115   269.144  18.332  6.2415 15.881  6.0733 2.450675       8.708634 
1 1 1 7  14 13 o 17.301  4.6591 546.397   232.204  386.845   332.526  698.245   324.398  15.093  6.3857 19.509  6.7862 -4.416310      9.318233 
1 1 1 7  14 14 o 7.6191  2.6665 -279.8910 151.349  -332.9470 221.404  -233.3502 207.365  7.4932  3.7307 7.7451  3.8110 -0.2519383     5.333101 
1 1 1 7  14 15 o 11.046  3.3683 275.488   150.128  348.163   179.911  108.853   272.426  12.632  4.9292 9.4595  4.5918 3.172889       6.736592 
1 1 1 7  14 16 o 9.2850  3.0078 150.688   145.902  287.813   174.553  -167.2390 265.787  10.922  4.6242 7.6476  3.8476 3.274662       6.015558 
1 1 1 7  15 0  o 49.166  18.710 4276.75   1730.81  0.0000    0.0000   4276.75   1730.81  49.166  18.710 49.166  18.710 0.000000       0.000000 
1 1 1 7  15 1  o 22.595  4.2592 578.660   196.158  550.861   280.019  605.447   274.872  22.043  6.1295 23.146  5.9155 -1.103777      8.518399 
1 1 1 7  15 2  o 31.584  5.7838 1198.33   370.508  1038.47   523.565  1358.70   524.391  29.283  8.4628 33.884  7.8860 -4.600565      11.56754 
1 1 1 7  15 3  o 30.515  7.8220 1083.90   479.594  1083.90   479.594  0.0000    0.0000   30.515  7.8220 ?       ?      ?              ?        
1 1 1 7  15 4  o 29.738  8.1197 1124.39   496.508  1124.39   496.508  0.0000    0.0000   29.738  8.1197 ?       ?      ?              ?        
1 1 1 7  15 5  o 12.714  4.1934 165.262   123.752  165.262   123.752  0.0000    0.0000   12.714  4.1934 ?       ?      ?              ?        
1 1 1 7  15 6  o 30.459  8.3346 1174.42   522.470  1174.42   522.470  0.0000    0.0000   30.459  8.3346 ?       ?      ?              ?        
1 1 1 7  15 7  o 24.791  7.0410 759.986   365.458  759.986   365.458  0.0000    0.0000   24.791  7.0410 ?       ?      ?              ?        
1 1 1 7  15 8  o 30.413  9.3942 1447.16   628.994  1447.16   628.994  0.0000    0.0000   30.413  9.3942 ?       ?      ?              ?        
1 1 1 7  15 9  o 31.550  10.961 1990.94   846.178  1990.94   846.178  0.0000    0.0000   31.550  10.961 ?       ?      ?              ?        
1 1 1 7  15 10 o 33.378  6.7045 1837.95   548.710  2839.48   780.963  861.528   771.117  43.718  9.2219 23.037  9.7344 20.68088       13.40899 
1 1 1 7  15 11 o 17.479  4.2159 403.360   183.882  549.072   262.595  263.166   257.575  20.034  6.0471 14.925  5.8759 5.108870       8.431716 
1 1 1 7  15 12 o 26.215  5.8225 1335.84   427.717  2239.83   609.167  456.832   600.688  35.471  8.6618 16.959  7.7832 18.51203       11.64494 
1 1 1 7  15 13 o 11.502  3.5373 157.317   149.538  221.387   233.566  112.812   194.666  12.295  5.2812 10.710  4.7074 1.585187       7.074645 
1 1 1 7  15 14 o 13.408  4.1280 419.885   216.554  238.040   310.677  591.730   302.014  11.590  5.4149 15.225  6.2323 -3.634362      8.256039 
1 1 1 7  15 15 o 9.6560  3.2808 119.847   184.318  243.782   268.865  9.9570    253.172  10.443  4.9282 8.8691  4.3322 1.573724       6.561621 
1 1 1 7  16 0  o 33.011  11.003 1524.82   647.264  1524.82   647.264  0.0000    0.0000   33.011  11.003 33.011  11.003 -0.000000      0.000000 
1 1 1 7  16 1  o 48.061  8.0765 3106.01   733.278  2922.47   898.014  3473.24   1270.26  47.971  9.6934 48.150  12.921 -0.1784210     16.15308 
1 1 1 7  16 2  o 36.245  5.8562 1616.20   397.908  1500.96   488.086  1844.55   687.090  35.338  7.1515 37.151  9.2756 -1.813824      11.71243 
1 1 1 7  16 3  o 8.0669  3.1805 39.708    75.563   39.708    75.563   0.0000    0.0000   8.0669  3.1805 ?       ?      ?              ?        
1 1 1 7  16 4  o 24.174  6.5759 690.745   326.364  690.745   326.364  0.0000    0.0000   24.174  6.5759 ?       ?      ?              ?        
1 1 1 7  16 5  f 32.406  9.0270 1394.97   606.785  1394.97   606.785  0.0000    0.0000   32.406  9.0270 ?       ?      ?              ?        
1 1 1 7  16 6  o 21.587  6.2363 552.815   284.354  552.815   284.354  0.0000    0.0000   21.587  6.2363 ?       ?      ?              ?        
1 1 1 7  16 7  o 30.250  9.4085 1443.27   629.671  1443.27   629.671  0.0000    0.0000   30.250  9.4085 ?       ?      ?              ?        
1 1 1 7  16 8  o 15.858  5.3753 298.247   203.152  298.247   203.152  0.0000    0.0000   15.858  5.3753 ?       ?      ?              ?        
1 1 1 7  16 9  o 29.882  10.388 1768.03   760.094  1768.03   760.094  0.0000    0.0000   29.882  10.388 ?       ?      ?              ?        
1 1 1 7  16 10 o 10.495  4.4138 49.713    157.337  49.713    157.337  0.0000    0.0000   10.495  4.4138 ?       ?      ?              ?        
1 1 1 7  16 11 o 19.186  3.2777 407.002   171.909  911.054   245.573  -77.3725  240.732  27.879  4.4042 10.493  4.8555 17.38661       6.555360 
1 1 1 7  16 12 o 21.111  4.8642 791.580   274.596  1241.69   391.479  355.634   385.270  27.138  7.1228 15.083  6.6263 12.05477       9.728384 
1 1 1 7  16 13 o 7.7181  2.6418 -151.9772 124.463  -126.3650 163.784  -186.9820 191.475  7.6350  3.6700 7.8011  3.8010 -0.1661248     5.283572 
1 1 1 7  16 14 o 8.0196  2.7735 -93.2836  141.827  -221.6438 185.115  89.150    220.689  6.8120  3.3948 9.2272  4.3869 -2.415191      5.547027 
1 1 1 7  16 15 o 8.0189  2.7937 41.814    159.789  75.074    216.262  1.8265    237.129  8.1757  3.9957 7.8621  3.9055 0.3136020      5.587365 
1 1 1 7  17 0  o 17.634  4.7646 442.141   161.059  374.854   225.131  512.680   230.507  15.746  6.8752 19.522  6.5984 -0.000000      0.000000 
1 1 1 7  17 1  o 51.095  9.7382 4237.23   983.179  3952.17   1202.94  4810.80   1706.35  51.976  11.837 50.213  15.467 1.763092       19.47643 
1 1 1 7  17 2  o 27.541  4.2793 836.587   220.397  742.326   270.955  1020.90   378.890  25.623  5.4547 29.459  6.5951 -3.835955      8.558555 
1 1 1 7  17 3  o 31.657  5.7229 1126.35   348.999  1126.35   348.999  0.0000    0.0000   31.657  5.7229 ?       ?      ?              ?        
1 1 1 7  17 4  o 16.000  4.8634 287.257   169.417  287.257   169.417  0.0000    0.0000   16.000  4.8634 ?       ?      ?              ?        
1 1 1 7  17 5  o 17.792  5.4313 363.083   210.963  363.083   210.963  0.0000    0.0000   17.792  5.4313 ?       ?      ?              ?        
1 1 1 7  17 6  o 18.743  5.7858 426.679   238.628  426.679   238.628  0.0000    0.0000   18.743  5.7858 ?       ?      ?              ?        
1 1 1 7  17 7  o 30.546  10.152 1685.75   724.827  1685.75   724.827  0.0000    0.0000   30.546  10.152 ?       ?      ?              ?        
1 1 1 7  17 8  o 13.001  4.8094 170.938   165.707  170.938   165.707  0.0000    0.0000   13.001  4.8094 ?       ?      ?              ?        
1 1 1 7  17 9  o 15.333  5.4080 271.769   206.420  271.769   206.420  0.0000    0.0000   15.333  5.4080 ?       ?      ?              ?        
1 1 1 7  17 10 o 18.237  6.2679 455.643   276.334  455.643   276.334  0.0000    0.0000   18.237  6.2679 ?       ?      ?              ?        
1 1 1 7  17 11 o 21.715  3.7528 672.003   236.660  1357.43   328.419  -68.3754  341.330  31.924  5.1437 11.505  5.4658 20.41925       7.505528 
1 1 1 7  17 12 o 15.305  4.2111 425.640   202.988  680.889   290.102  180.795   284.128  18.600  6.4204 12.010  5.4509 6.590109       8.422271 
1 1 1 7  17 13 o 8.0272  2.7756 -183.7395 148.730  -68.1776  210.727  -298.4467 209.946  8.7349  4.1891 7.3194  3.6424 1.415479       5.551200 
1 1 1 7  17 14 f 9.5380  3.2156 73.101    171.468  -10.8919  245.445  153.171   239.645  8.9598  4.3514 10.116  4.7357 -1.156513      6.431280 
1 1 1 7  18 0  o 11.165  3.6503 187.997   93.791   238.983   132.044  136.080   133.245  12.858  5.2310 9.4728  5.0927 0.000000       0.000000 
1 1 1 7  18 1  o 54.145  11.500 6733.33   1346.84  6545.25   1903.07  6922.05   1906.38  52.795  16.346 55.495  16.181 -2.700741      23.00009 
1 1 1 7  18 2  o 40.034  7.7037 2027.28   594.427  2027.28   594.427  0.0000    0.0000   40.034  7.7037 ?       ?      ?              ?        
1 1 1 7  18 3  o 7.7163  2.5334 58.776    45.186   58.776    45.186   0.0000    0.0000   7.7163  2.5334 ?       ?      ?              ?        
1 1 1 7  18 4  o 26.728  7.7320 970.923   436.853  970.923   436.853  0.0000    0.0000   26.728  7.7320 ?       ?      ?              ?        
1 1 1 7  18 5  o 19.385  5.8832 458.930   248.057  458.930   248.057  0.0000    0.0000   19.385  5.8832 ?       ?      ?              ?        
1 1 1 7  18 6  o 11.043  4.2687 104.980   133.954  104.980   133.954  0.0000    0.0000   11.043  4.2687 ?       ?      ?              ?        
1 1 1 7  18 7  o 16.533  5.4540 321.556   209.336  321.556   209.336  0.0000    0.0000   16.533  5.4540 ?       ?      ?              ?        
1 1 1 7  18 8  o 27.327  8.5434 1144.47   518.445  1144.47   518.445  0.0000    0.0000   27.327  8.5434 ?       ?      ?              ?        
1 1 1 7  18 9  o 27.251  12.329 3507.56   1440.08  3507.56   1440.08  0.0000    0.0000   27.251  12.329 ?       ?      ?              ?        
1 1 1 7  18 10 o 10.558  4.5109 49.175    168.780  49.175    168.780  0.0000    0.0000   10.558  4.5109 ?       ?      ?              ?        
1 1 1 7  18 11 o 13.419  5.5580 294.582   243.914  294.582   243.914  0.0000    0.0000   13.419  5.5580 ?       ?      ?              ?        
1 1 1 7  18 12 o 12.872  3.8263 281.319   168.725  237.667   255.103  315.262   224.955  12.296  5.3970 13.449  5.4253 -1.153646      7.652544 
1 1 1 7  18 13 o 10.715  3.5150 246.727   185.070  423.284   262.687  72.722    260.781  12.136  5.3948 9.2949  4.5075 2.840793       7.029990 
1 1 1 7  18 14 o 7.4851  2.6282 -26.7101  148.886  -64.9583  197.291  23.888    226.919  7.1633  3.5591 7.8070  3.8682 -0.6437836     5.256412 
1 1 1 7  19 0  o 39.832  12.360 3559.78   1029.20  3491.26   1454.95  3628.41   1456.08  39.115  17.485 40.550  17.476 0.000000       0.000000 
1 1 1 7  19 1  o 17.289  2.8189 333.839   95.488   335.986   134.975  331.689   135.106  17.350  3.9750 17.229  3.9981 0.1217957      5.637898 
1 1 1 7  19 2  o 34.205  6.2783 1752.40   426.634  1809.37   521.769  1637.47   741.083  37.421  7.2333 30.989  10.264 6.431751       12.55651 
1 1 1 7  19 3  o 32.420  6.3210 1296.56   395.130  1296.56   395.130  0.0000    0.0000   32.420  6.3210 ?       ?      ?              ?        
1 1 1 7  19 4  o 21.300  6.4264 578.953   296.621  578.953   296.621  0.0000    0.0000   21.300  6.4264 ?       ?      ?              ?        
1 1 1 7  19 5  o 16.261  5.3028 317.072   198.099  317.072   198.099  0.0000    0.0000   16.261  5.3028 ?       ?      ?              ?        
1 1 1 7  19 6  o 30.911  10.456 1800.24   768.630  1800.24   768.630  0.0000    0.0000   30.911  10.456 ?       ?      ?              ?        
1 1 1 7  19 7  o 12.022  4.5982 132.467   154.294  132.467   154.294  0.0000    0.0000   12.022  4.5982 ?       ?      ?              ?        
1 1 1 7  19 8  o 11.020  4.4961 89.420    156.523  89.420    156.523  0.0000    0.0000   11.020  4.4961 ?       ?      ?              ?        
1 1 1 7  19 9  o 23.527  8.0200 951.482   452.261  951.482   452.261  0.0000    0.0000   23.527  8.0200 ?       ?      ?              ?        
1 1 1 7  19 10 o 16.416  5.9228 404.487   248.964  404.487   248.964  0.0000    0.0000   16.416  5.9228 ?       ?      ?              ?        
1 1 1 7  19 11 o 13.688  5.6359 288.065   248.770  288.065   248.770  0.0000    0.0000   13.688  5.6359 ?       ?      ?              ?        
1 1 1 7  19 12 o 7.8515  2.6553 -69.4515  117.843  -90.7437  164.083  -46.7694  169.354  7.6128  3.6628 8.0903  3.8454 -0.4775419     5.310673 
1 1 1 7  19 13 o 10.020  3.3425 152.687   175.141  220.242   248.858  86.389    246.533  10.546  4.8997 9.4950  4.5477 1.050632       6.684989 
1 1 1 7  20 0  o 24.925  6.6771 974.953   312.648  998.022   442.918  952.043   441.388  25.376  9.4022 24.474  9.4832 -0.000000      0.000000 
1 1 1 7  20 1  o 39.258  6.0398 2198.82   460.738  2239.07   652.620  2158.83   650.548  39.739  8.4703 38.778  8.6122 0.9602547      12.07959 
1 1 1 7  20 2  o 25.747  4.4541 812.320   216.917  743.131   263.980  956.162   380.627  24.787  5.4714 26.707  7.0300 -1.919489      8.908223 
1 1 1 7  20 3  o 36.064  7.7697 2655.46   634.076  2714.28   775.280  2536.60   1101.96  40.919  9.6331 31.210  12.193 9.708754       15.53944 
1 1 1 7  20 4  o 23.448  4.8030 633.797   217.671  633.797   217.671  0.0000    0.0000   23.448  4.8030 ?       ?      ?              ?        
1 1 1 7  20 5  o 10.416  4.1668 79.721    131.495  79.721    131.495  0.0000    0.0000   10.416  4.1668 ?       ?      ?              ?        
1 1 1 7  20 6  o 21.442  6.6113 609.322   311.685  609.322   311.685  0.0000    0.0000   21.442  6.6113 ?       ?      ?              ?        
1 1 1 7  20 7  o 24.011  7.8608 924.576   435.156  924.576   435.156  0.0000    0.0000   24.011  7.8608 ?       ?      ?              ?        
1 1 1 7  20 8  o 16.436  5.8112 359.644   238.487  359.644   238.487  0.0000    0.0000   16.436  5.8112 ?       ?      ?              ?        
1 1 1 7  20 9  o 17.786  6.6355 566.904   316.763  566.904   316.763  0.0000    0.0000   17.786  6.6355 ?       ?      ?              ?        
1 1 1 7  20 10 o 6.3796  3.1323 -199.6648 137.683  -199.6648 137.683  0.0000    0.0000   6.3796  3.1323 ?       ?      ?              ?        
1 1 1 7  20 11 o 13.100  5.6094 317.609   262.023  317.609   262.023  0.0000    0.0000   13.100  5.6094 ?       ?      ?              ?        
1 1 1 7  20 12 o 11.846  5.5602 520.989   334.131  520.989   334.131  0.0000    0.0000   11.846  5.5602 ?       ?      ?              ?        
1 1 1 7  20 13 o 8.5658  2.9295 116.147   157.729  -13.0768  244.884  207.765   206.196  7.8949  3.9296 9.2367  4.3458 -1.341847      5.858979 
1 1 1 7  21 0  o 15.893  4.4182 375.676   151.840  536.308   215.258  216.597   214.214  20.187  6.1109 11.600  6.3826 -0.000000      0.000000 
1 1 1 7  21 1  o 40.771  9.4121 4044.28   950.810  4157.72   1164.68  3817.63   1646.36  47.358  12.216 34.184  14.322 13.17420       18.82419 
1 1 1 7  21 2  o 19.594  3.6808 464.239   142.311  474.993   174.195  442.658   246.775  20.334  4.4103 18.855  5.8942 1.479309       7.361546 
1 1 1 7  21 3  o 27.000  4.8312 949.406   249.118  885.655   302.584  1083.54   438.896  26.620  5.8437 27.380  7.6951 -0.7609043     9.662488 
1 1 1 7  21 4  o 19.361  3.7646 475.075   148.867  529.242   176.766  342.937   276.085  21.646  4.2349 17.076  6.2253 4.569128       7.529193 
1 1 1 7  21 5  f 32.305  11.710 2332.64   974.805  2332.64   974.805  0.0000    0.0000   32.305  11.710 ?       ?      ?              ?        
1 1 1 7  21 6  o 24.448  8.2178 1032.63   474.781  1032.63   474.781  0.0000    0.0000   24.448  8.2178 ?       ?      ?              ?        
1 1 1 7  21 7  o 7.7085  3.5640 -72.4280  129.291  -72.4280  129.291  0.0000    0.0000   7.7085  3.5640 ?       ?      ?              ?        
1 1 1 7  21 8  o 16.784  6.2653 481.434   282.480  481.434   282.480  0.0000    0.0000   16.784  6.2653 ?       ?      ?              ?        
1 1 1 7  21 9  o 10.632  4.6600 122.431   189.584  122.431   189.584  0.0000    0.0000   10.632  4.6600 ?       ?      ?              ?        
1 1 1 7  21 10 o 12.245  5.2688 238.879   233.194  238.879   233.194  0.0000    0.0000   12.245  5.2688 ?       ?      ?              ?        
1 1 1 7  21 11 o 12.381  5.5126 433.289   275.408  433.289   275.408  0.0000    0.0000   12.381  5.5126 ?       ?      ?              ?        
1 1 1 7  21 12 o 8.5471  4.1707 76.529    232.989  76.529    232.989  0.0000    0.0000   8.5471  4.1707 ?       ?      ?              ?        
1 1 1 7  22 0  o 23.561  6.4087 875.683   285.918  880.421   402.720  870.868   405.997  23.700  9.0265 23.422  9.1000 -0.000000      0.000000 
1 1 1 7  22 1  o 37.728  5.8624 2043.72   430.474  1942.27   609.918  2144.42   607.653  36.380  8.5306 39.075  8.0435 -2.695251      11.72470 
1 1 1 7  22 2  f 32.069  6.1706 1612.52   400.804  1631.01   489.972  1575.12   696.807  34.690  7.2936 29.448  9.9553 5.242155       12.34118 
1 1 1 7  22 3  o 11.591  3.0322 117.059   83.213   97.688    96.051   175.338   166.606  10.120  3.6746 13.061  4.8242 -2.940867      6.064309 
1 1 1 7  22 4  o 11.003  2.9827 86.929    76.996   59.331    86.185   196.042   171.367  8.7223  3.4094 13.283  4.8952 -4.561025      5.965427 
1 1 1 7  22 5  o 23.584  4.5722 757.039   212.509  721.398   256.798  834.478   378.522  23.757  5.5114 23.411  7.2969 0.3457279      9.144398 
1 1 1 7  22 6  o 15.629  5.6235 304.245   224.268  304.245   224.268  0.0000    0.0000   15.629  5.6235 ?       ?      ?              ?        
1 1 1 7  22 7  o 11.849  4.8328 148.610   180.790  148.610   180.790  0.0000    0.0000   11.849  4.8328 ?       ?      ?              ?        
1 1 1 7  22 8  o 14.189  5.7470 387.081   253.524  387.081   253.524  0.0000    0.0000   14.189  5.7470 ?       ?      ?              ?        
1 1 1 7  22 9  o 12.871  5.3987 281.725   234.381  281.725   234.381  0.0000    0.0000   12.871  5.3987 ?       ?      ?              ?        
1 1 1 7  22 10 o 8.3983  4.0151 -34.0058  190.249  -34.0058  190.249  0.0000    0.0000   8.3983  4.0151 ?       ?      ?              ?        
1 1 1 7  22 11 o 10.516  4.8933 225.370   249.707  225.370   249.707  0.0000    0.0000   10.516  4.8933 ?       ?      ?              ?        
1 1 1 7  23 0  o 14.741  4.6837 359.822   148.384  328.974   208.194  391.670   211.540  13.909  6.5909 15.573  6.6565 -0.000000      0.000000 
1 1 1 7  23 1  o 30.790  6.6642 1823.76   448.435  1780.18   548.825  1911.30   777.828  33.183  8.2928 28.397  10.434 4.786171       13.32849 
1 1 1 7  23 2  o 10.960  2.8626 117.806   77.906   113.607   92.697   127.902   143.758  10.412  3.6273 11.509  4.4296 -1.097499      5.725255 
1 1 1 7  23 3  o 30.410  6.3343 1588.65   395.501  1431.97   481.702  1912.77   692.820  30.196  7.8893 30.623  9.9123 -0.4271488     12.66866 
1 1 1 7  23 4  o 16.559  3.6127 328.877   123.665  298.636   147.627  400.020   226.431  15.707  4.4800 17.411  5.6689 -1.704417      7.225474 
1 1 1 7  23 5  o 7.3518  2.3947 -20.0254  61.659   -15.3764  67.351   -44.0943  153.248  6.1021  2.7209 8.6016  3.9416 -2.499501      4.789475 
1 1 1 7  23 6  o 12.993  3.3748 164.974   139.426  395.180   191.725  -93.4234  203.125  16.798  5.1862 9.1878  4.3198 7.610703       6.749581 
1 1 1 7  23 7  o 15.090  6.1031 451.703   285.490  451.703   285.490  0.0000    0.0000   15.090  6.1031 ?       ?      ?              ?        
1 1 1 7  23 8  o 14.752  6.1502 476.642   301.464  476.642   301.464  0.0000    0.0000   14.752  6.1502 ?       ?      ?              ?        
1 1 1 7  23 9  o 6.0740  3.0223 -238.1619 144.414  -238.1619 144.414  0.0000    0.0000   6.0740  3.0223 ?       ?      ?              ?        
1 1 1 7  23 10 f 9.6186  4.3662 115.871   182.406  115.871   182.406  0.0000    0.0000   9.6186  4.3662 ?       ?      ?              ?        
1 1 1 7  23 11 o 8.8758  4.2925 135.177   232.461  135.177   232.461  0.0000    0.0000   8.8758  4.2925 ?       ?      ?              ?        
1 1 1 7  24 0  o 19.367  5.7082 627.337   222.190  583.876   315.902  669.886   312.573  18.319  8.1467 20.415  7.9980 0.000000       0.000000 
1 1 1 7  24 1  o 20.236  3.8062 484.219   150.078  391.896   182.717  675.656   263.110  17.762  4.9556 22.710  5.7786 -4.947989      7.612481 
1 1 1 7  24 2  o 7.0249  2.3236 -66.0960  63.142   -81.1072  70.815   -7.8655   139.473  5.1987  2.4754 8.8510  3.9329 -3.652355      4.647134 
1 1 1 7  24 3  o 7.1041  2.3833 -61.2778  69.932   -62.3165  77.746   -56.8754  160.056  5.7175  2.6831 8.4907  3.9396 -2.773188      4.766544 
1 1 1 7  24 4  o 8.3245  2.5823 13.913    68.942   6.5884    77.705   41.003    149.436  6.9969  3.0259 9.6521  4.1852 -2.655226      5.164506 
1 1 1 7  24 5  o 10.839  3.0230 156.430   97.707   186.079   112.489  65.340    197.173  11.698  3.9997 9.9802  4.5339 1.717360       6.045974 
1 1 1 7  24 6  o 13.104  3.7116 186.563   157.193  1.8936    204.910  450.650   245.041  9.8597  4.5327 16.349  5.8787 -6.488912      7.423190 
1 1 1 7  24 7  o 7.6040  3.6975 -165.3777 178.683  -165.3777 178.683  0.0000    0.0000   7.6040  3.6975 ?       ?      ?              ?        
1 1 1 7  24 8  o 12.278  5.3322 336.835   243.346  336.835   243.346  0.0000    0.0000   12.278  5.3322 ?       ?      ?              ?        
1 1 1 7  24 9  o 9.3410  4.4290 62.556    221.999  62.556    221.999  0.0000    0.0000   9.3410  4.4290 ?       ?      ?              ?        
1 1 1 7  24 10 o 7.0830  3.5465 -148.0732 212.844  -148.0732 212.844  0.0000    0.0000   7.0830  3.5465 ?       ?      ?              ?        
1 1 1 7  25 0  o 8.8522  3.4094 101.945   100.146  236.416   143.532  -25.6156  139.796  11.671  5.4790 6.0339  4.0591 -0.000000      0.000000 
1 1 1 7  25 1  o 10.670  2.7995 136.757   86.894   192.814   104.524  11.340    156.344  12.297  3.8347 9.0434  4.0796 3.253378       5.598929 
1 1 1 7  25 2  o 9.9420  2.9449 91.216    86.815   67.562    99.932   163.995   175.292  8.6681  3.5708 11.216  4.6840 -2.547695      5.889897 
1 1 1 7  25 3  o 11.646  3.2775 180.036   105.324  165.607   121.984  222.304   208.777  11.154  4.1263 12.137  5.0934 -0.9838552     6.555075 
1 1 1 7  25 4  o 16.302  3.9464 385.600   142.088  323.489   166.313  553.440   273.395  15.008  4.8564 17.597  6.2219 -2.588960      7.892847 
1 1 1 7  25 5  o 6.0721  2.0903 -91.3345  68.140   -47.0413  74.120   -333.0743 173.157  5.6698  2.6475 6.4744  3.2353 -0.8045573     4.180514 
1 1 1 7  25 6  o 14.212  3.8934 349.141   143.906  279.379   167.870  542.500   279.479  13.014  4.8354 15.410  6.1035 -2.395713      7.786816 
1 1 1 7  25 7  o 10.289  3.3772 200.459   166.046  175.780   226.020  229.396   244.745  10.063  4.6735 10.516  4.8765 -0.4526558     6.754410 
1 1 1 7  25 8  o 11.699  5.3474 358.761   279.659  358.761   279.659  0.0000    0.0000   11.699  5.3474 ?       ?      ?              ?        
1 1 1 7  25 9  o 8.8693  4.3282 159.065   251.027  159.065   251.027  0.0000    0.0000   8.8693  4.3282 ?       ?      ?              ?        
1 1 1 7  26 0  o 19.648  9.7702 997.801   465.050  997.801   465.050  0.0000    0.0000   19.648  9.7702 19.648  9.7702 0.000000       0.000000 
1 1 1 7  26 1  o 14.991  3.4357 363.749   133.560  445.456   158.847  166.628   246.726  18.102  4.4248 11.880  5.2573 6.221828       6.871496 
1 1 1 7  26 2  o 13.649  3.0056 293.570   120.676  428.829   141.804  -61.6221  229.793  17.966  4.0440 9.3311  4.4476 8.634888       6.011234 
1 1 1 7  26 3  o 16.435  4.1547 524.028   174.751  524.569   208.563  522.753   320.144  17.770  5.3949 15.099  6.3200 2.671437       8.309429 
1 1 1 7  26 4  o 11.545  3.3018 201.425   113.205  208.540   128.361  176.519   240.157  11.914  4.2578 11.177  5.0477 0.7370472      6.603672 
1 1 1 7  26 5  o 16.216  4.7243 913.232   256.287  858.716   309.287  1032.69   457.832  17.605  6.5589 14.827  6.8012 2.777278       9.448608 
1 1 1 7  26 6  o 12.198  3.6004 340.847   140.868  308.134   163.304  435.972   278.469  12.393  4.7328 12.003  5.4270 0.3895397      7.200786 
1 1 1 7  26 7  o 7.7304  2.6910 -79.2634  146.689  -61.7131  198.161  -100.5387 218.179  7.7345  3.7895 7.7263  3.8219 0.8195877E-02  5.382070 
1 1 1 7  26 8  o 8.2790  2.8191 25.380    144.537  -177.4072 215.501  191.191   194.866  7.1153  3.5635 9.4428  4.3692 -2.327505      5.638160 
1 1 1 7  27 0  o 13.134  7.1173 452.170   262.182  452.170   262.182  0.0000    0.0000   13.134  7.1173 13.134  7.1173 0.000000       0.000000 
1 1 1 7  27 1  f 12.012  3.6128 270.328   150.983  194.749   199.734  371.094   230.627  10.926  4.7862 13.098  5.4131 -2.171868      7.225621 
1 1 1 7  27 2  o 13.349  3.6933 374.550   143.959  371.826   175.005  380.252   253.170  14.091  4.9784 12.607  5.4569 1.484051       7.386617 
1 1 1 7  27 3  o 11.746  3.4546 257.931   122.392  176.078   144.460  466.146   230.402  10.165  4.2492 13.326  5.4480 -3.161656      6.909138 
1 1 1 7  27 4  o 10.443  3.3259 197.926   152.206  312.196   209.266  69.578    221.782  11.718  5.0151 9.1682  4.3698 2.549349       6.651782 
1 1 1 7  27 5  o 9.7948  3.1806 106.561   114.332  46.184    127.889  346.913   255.164  8.0761  3.6621 11.514  5.2012 -3.437541      6.361119 
1 1 1 7  27 6  o 10.849  3.3532 409.073   153.904  431.502   179.132  345.841   300.769  12.374  4.8911 9.3240  4.5883 3.050302       6.706340 
1 1 1 7  28 0  o 5.0478  3.5863 -130.0981 154.680  0.0000    0.0000   -130.0981 154.680  5.0478  3.5863 5.0478  3.5863 -0.000000      0.000000 
1 1 1 7  28 1  o 6.2308  2.1745 -143.6788 90.287   -109.6299 106.350  -231.5575 170.855  5.8656  2.8523 6.5960  3.2829 -0.7304430     4.348925 
1 1 1 7  28 2  o 10.938  3.1572 236.018   127.207  316.595   149.947  29.131    240.268  12.973  4.6056 8.9034  4.3197 4.069308       6.314360 
1 1 1 7  28 3  o 9.3243  3.0469 92.061    108.687  -14.8293  123.526  458.475   228.706  6.8567  3.2662 11.792  5.1447 -4.935293      6.093884 
1 1 1 7  28 4  o 9.1526  2.9145 185.595   116.313  207.419   134.969  122.620   229.277  9.8340  4.1088 8.4713  4.1345 1.362770       5.828909 
1 1 1 7  29 0  o 4.5866  3.3266 -215.3503 166.531  0.0000    0.0000   -215.3503 166.531  4.5866  3.3266 4.5866  3.3266 -0.000000      0.000000 
1 1 1 7  29 1  o 8.4961  2.8411 88.954    127.229  100.870   163.954  70.916    201.717  8.5563  3.9760 8.4358  4.0594 0.1205511      5.682172 
1 1 1 8  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  1  2  o 72.413  11.545 5749.67   1632.00  5648.28   2306.53  5851.33   2309.48  71.730  16.431 73.095  16.221 -1.365631      23.08910 
1 1 1 8  1  3  o 132.842 24.689 23777.17  6645.53  24122.20  9397.13  23431.99  9399.26  134.023 34.763 131.661 35.067 2.361343       49.37791 
1 1 1 8  1  4  o 126.278 21.847 19557.46  5472.33  19368.04  7743.97  19746.39  7734.13  125.557 31.019 126.999 30.773 -1.442253      43.69396 
1 1 1 8  1  5  o 114.659 21.923 18427.28  5149.05  17965.60  7280.51  18889.31  7283.22  112.878 31.206 116.440 30.800 -3.562210      43.84566 
1 1 1 8  1  6  o 77.467  11.056 6833.61   1583.59  6385.93   2740.25  7058.09   1940.41  73.341  18.642 81.593  11.891 -8.252304      22.11125 
1 1 1 8  1  7  o 48.412  7.3457 3105.01   707.436  1137.60   1220.29  4100.93   868.221  34.109  12.959 62.715  6.9219 -28.60609      14.69150 
1 1 1 8  1  8  o 42.621  4.6811 1910.29   398.960  1870.76   564.135  1949.83   564.293  42.158  6.6907 43.085  6.5486 -0.9269638     9.362166 
1 1 1 8  1  9  o 40.402  5.0105 1873.06   396.612  1830.42   561.326  1915.57   560.465  39.557  7.3662 41.247  6.7940 -1.690182      10.02092 
1 1 1 8  1  10 o 25.694  3.6588 744.051   181.465  669.499   256.781  818.428   256.480  24.238  5.4316 27.151  4.9037 -2.912508      7.317688 
1 1 1 8  1  11 o 18.686  2.9895 385.639   109.534  448.461   156.038  324.611   153.795  20.286  3.9881 17.087  4.4547 3.199459       5.979069 
1 1 1 8  1  12 o 17.094  3.3349 364.170   128.531  481.958   159.943  149.428   215.959  20.803  3.9894 13.386  5.3451 7.417229       6.669782 
1 1 1 8  1  13 o 26.730  4.8656 960.817   259.076  1039.66   318.079  805.419   446.558  29.568  5.5835 23.891  7.9700 5.676554       9.731157 
1 1 1 8  1  14 o 12.913  3.2730 159.711   104.240  111.909   129.303  248.449   176.173  11.102  4.2182 14.724  5.0056 -3.621045      6.545927 
1 1 1 8  1  15 o 20.171  4.2852 545.337   179.703  473.665   221.486  683.413   307.418  18.821  5.5231 21.521  6.5534 -2.699787      8.570438 
1 1 1 8  1  16 o 8.7697  3.9163 14.908    140.117  14.908    140.117  0.0000    0.0000   8.7697  3.9163 ?       ?      ?              ?        
1 1 1 8  1  17 o 7.5578  3.6204 -48.4824  156.383  -48.4824  156.383  0.0000    0.0000   7.5578  3.6204 ?       ?      ?              ?        
1 1 1 8  1  18 o 8.5857  3.9795 109.589   162.674  109.589   162.674  0.0000    0.0000   8.5857  3.9795 ?       ?      ?              ?        
1 1 1 8  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  2  2  o 51.057  11.486 2783.83   1144.50  0.0000    0.0000   2783.83   1144.50  ?       ?      51.057  11.486 ?              ?        
1 1 1 8  2  3  o 106.785 18.320 13799.12  3872.66  13991.96  5472.81  13605.71  5480.73  107.655 25.762 105.914 26.053 1.741188       36.63965 
1 1 1 8  2  4  o 57.245  9.0755 3509.99   1013.39  3528.00   1432.68  3491.95   1433.62  57.400  12.805 57.090  12.864 0.3107262      18.15103 
1 1 1 8  2  5  o 94.539  16.680 11160.39  3144.78  10819.46  4451.38  11500.10  4443.42  92.840  23.847 96.237  23.328 -3.396523      33.36042 
1 1 1 8  2  6  o 88.954  12.536 9000.65   2071.74  9492.17   3589.17  8755.06   2537.06  88.167  20.707 89.741  14.135 -1.574570      25.07187 
1 1 1 8  2  7  o 58.623  6.3716 3682.81   746.661  3800.55   1054.24  3564.32   1057.64  59.637  8.8388 57.609  9.1795 2.028301       12.74312 
1 1 1 8  2  8  o 57.990  6.7659 3774.56   766.786  3546.34   1083.60  4003.46   1085.20  55.607  10.116 60.374  8.9873 -4.767174      13.53172 
1 1 1 8  2  9  o 37.561  4.9260 1626.49   356.418  1617.05   503.725  1635.96   504.378  37.436  6.9848 37.685  6.9480 -0.2494469     9.851964 
1 1 1 8  2  10 o 39.042  5.1326 1828.61   385.960  1882.59   546.033  1774.71   545.628  39.741  7.1320 38.342  7.3831 1.398510       10.26522 
1 1 1 8  2  11 f 24.779  3.3777 682.472   163.629  752.198   229.327  610.158   233.544  26.447  4.3356 23.111  5.1807 3.335447       6.755499 
1 1 1 8  2  12 o 15.116  3.0134 258.081   95.231   284.321   136.568  233.245   132.862  15.832  4.2318 14.400  4.2912 1.431552       6.026825 
1 1 1 8  2  13 o 27.561  4.1003 923.627   218.969  1013.01   309.614  834.182   309.723  29.175  5.5080 25.947  6.0754 3.228615       8.200534 
1 1 1 8  2  14 o 18.612  3.8429 452.462   157.861  534.420   192.230  282.716   276.646  21.366  4.6320 15.858  6.1332 5.508093       7.685826 
1 1 1 8  2  15 o 12.373  4.5156 174.735   145.322  174.735   145.322  0.0000    0.0000   12.373  4.5156 ?       ?      ?              ?        
1 1 1 8  2  16 o 16.404  5.2004 403.387   191.457  403.387   191.457  0.0000    0.0000   16.404  5.2004 ?       ?      ?              ?        
1 1 1 8  2  17 o 12.528  5.1086 361.466   201.938  361.466   201.938  0.0000    0.0000   12.528  5.1086 ?       ?      ?              ?        
1 1 1 8  2  18 o 11.540  5.0152 397.292   215.568  397.292   215.568  0.0000    0.0000   11.540  5.0152 ?       ?      ?              ?        
1 1 1 8  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  3  3  o 118.790 29.723 17810.72  7044.28  0.0000    0.0000   17810.72  7044.28  ?       ?      118.790 29.723 ?              ?        
1 1 1 8  3  4  o 132.879 24.080 22976.49  6430.88  23535.55  9089.62  22416.19  9099.65  134.834 33.778 130.924 34.330 3.910477       48.16078 
1 1 1 8  3  5  o 119.100 24.043 21501.12  6013.28  21995.46  8503.40  21006.61  8504.73  120.861 33.838 117.340 34.165 3.520721       48.08596 
1 1 1 8  3  6  o 133.036 22.636 25004.81  5698.00  31307.44  9881.40  21865.11  6974.31  140.281 35.260 125.790 28.395 14.49137       45.27193 
1 1 1 8  3  7  f 70.263  7.8013 5449.54   1096.02  5326.55   1550.57  5572.34   1549.44  69.386  11.173 71.140  10.890 -1.754333      15.60255 
1 1 1 8  3  8  o 22.689  3.1922 545.279   139.752  573.125   199.194  518.285   196.119  23.290  4.4384 22.089  4.5893 1.201542       6.384422 
1 1 1 8  3  9  o 39.802  5.2967 1847.81   406.150  1819.53   573.613  1876.23   575.155  39.449  7.5453 40.155  7.4356 -0.7058945     10.59338 
1 1 1 8  3  10 o 23.990  3.4676 637.865   160.734  714.870   226.268  559.420   228.372  25.620  4.5842 22.360  5.2042 3.259504       6.935297 
1 1 1 8  3  11 o 28.561  3.8671 932.396   216.064  1032.17   306.456  833.779   304.673  30.532  5.0186 26.589  5.8849 3.942554       7.734222 
1 1 1 8  3  12 o 30.172  4.2350 1104.35   249.727  1314.71   352.493  892.370   353.845  33.907  5.1979 26.436  6.6875 7.470703       8.470016 
1 1 1 8  3  13 o 33.670  5.1086 1515.85   333.763  1570.06   470.244  1460.82   473.799  34.513  7.0507 32.826  7.3944 1.687653       10.21717 
1 1 1 8  3  14 o 12.643  3.2517 166.296   99.532   165.323   117.064  168.833   189.075  12.236  4.0806 13.049  5.0638 -0.8126287     6.503351 
1 1 1 8  3  15 o 18.937  5.3721 501.198   212.867  501.198   212.867  0.0000    0.0000   18.937  5.3721 ?       ?      ?              ?        
1 1 1 8  3  16 o 7.4306  3.4710 -63.8773  127.591  -63.8773  127.591  0.0000    0.0000   7.4306  3.4710 ?       ?      ?              ?        
1 1 1 8  3  17 o 8.3016  3.8439 49.851    151.208  49.851    151.208  0.0000    0.0000   8.3016  3.8439 ?       ?      ?              ?        
1 1 1 8  3  18 o 8.7886  3.9757 122.865   149.687  122.865   149.687  0.0000    0.0000   8.7886  3.9757 ?       ?      ?              ?        
1 1 1 8  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  4  4  o 50.438  11.429 2738.20   1126.20  0.0000    0.0000   2738.20   1126.20  ?       ?      50.438  11.429 ?              ?        
1 1 1 8  4  5  o 74.335  12.325 6361.96   1800.65  6202.67   2542.47  6522.26   2550.55  73.312  17.569 75.357  17.290 -2.045151      24.65025 
1 1 1 8  4  6  o 99.307  15.703 13138.53  2986.21  9896.18   5168.05  14763.68  3658.84  83.720  27.070 114.894 15.923 -31.17388      31.40547 
1 1 1 8  4  7  o 70.768  7.9303 5553.54   1122.26  5465.47   1588.49  5641.30   1585.76  70.140  11.324 71.396  11.105 -1.255592      15.86051 
1 1 1 8  4  8  o 42.643  4.7895 1935.61   408.452  1963.03   578.792  1908.41   576.492  42.957  6.7368 42.328  6.8098 0.6294174      9.579046 
1 1 1 8  4  9  o 57.226  8.1299 4341.21   898.178  4390.31   1270.48  4292.14   1269.95  57.655  11.422 56.798  11.572 0.8564682      16.25975 
1 1 1 8  4  10 o 18.069  2.9592 355.732   104.860  369.660   146.773  341.212   149.864  18.459  4.0838 17.678  4.2836 0.7808056      5.918376 
1 1 1 8  4  11 f 26.669  3.6170 798.423   188.552  882.550   265.125  712.328   268.208  28.510  4.6498 24.828  5.5418 3.681595       7.234046 
1 1 1 8  4  12 o 32.752  4.6589 1343.68   294.585  1382.57   416.063  1304.58   417.151  33.361  6.4693 32.143  6.7060 1.217880       9.317851 
1 1 1 8  4  13 o 8.9345  2.5251 28.200    78.934   116.982   96.394   -152.4992 137.520  10.660  3.6997 7.2092  3.4374 3.450537       5.050155 
1 1 1 8  4  14 o 17.661  3.7555 354.099   138.431  252.132   167.873  570.775   244.712  14.478  4.8864 20.844  5.7042 -6.365201      7.511039 
1 1 1 8  4  15 o 10.659  3.2014 79.088    114.164  27.632    141.340  175.676   193.645  9.1263  4.0113 12.191  4.9904 -3.065033      6.402741 
1 1 1 8  4  16 o 9.9349  3.1341 47.962    119.425  10.111    146.352  123.396   206.605  8.7649  3.9512 11.105  4.8661 -2.339885      6.268212 
1 1 1 8  4  17 o 9.7341  4.2206 158.293   151.958  158.293   151.958  0.0000    0.0000   9.7341  4.2206 ?       ?      ?              ?        
1 1 1 8  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  5  4  o 23.052  5.8588 558.739   270.680  0.0000    0.0000   558.739   270.680  ?       ?      23.052  5.8588 ?              ?        
1 1 1 8  5  5  o 30.798  7.3595 1007.15   447.136  0.0000    0.0000   1007.15   447.136  ?       ?      30.798  7.3595 ?              ?        
1 1 1 8  5  6  o 63.554  9.4740 4853.20   1120.59  3826.49   1935.92  5370.55   1374.21  56.024  16.297 71.085  9.6660 -15.06036      18.94798 
1 1 1 8  5  7  o 45.185  5.0556 2144.51   456.879  2138.20   646.287  2150.81   645.960  45.115  7.1627 45.256  7.1368 -0.1407852     10.11127 
1 1 1 8  5  8  o 38.532  4.5342 1610.39   342.064  1554.55   485.036  1665.63   482.477  37.526  6.7089 39.537  6.1015 -2.011196      9.068490 
1 1 1 8  5  9  o 44.540  5.3480 2236.53   466.574  2306.40   660.841  2167.09   658.833  45.644  7.2390 43.436  7.8739 2.208275       10.69590 
1 1 1 8  5  10 o 34.603  4.3847 1359.64   296.705  1444.47   420.412  1275.46   418.801  36.096  5.8236 33.109  6.5565 2.986485       8.769336 
1 1 1 8  5  11 o 23.395  3.3848 612.080   153.036  624.234   216.371  599.914   216.480  23.656  4.7384 23.133  4.8347 0.5226250      6.769544 
1 1 1 8  5  12 o 29.903  5.1504 1406.84   361.193  1849.96   441.772  513.364   627.304  39.622  5.5748 20.183  8.6619 19.43902       10.30082 
1 1 1 8  5  13 o 19.950  3.5823 536.904   170.422  745.836   207.574  104.791   298.516  26.067  3.9815 13.832  5.9564 12.23535       7.164587 
1 1 1 8  5  14 o 25.176  4.9145 905.638   246.456  855.648   301.298  1006.72   428.438  25.304  6.0378 25.048  7.7559 0.2560520      9.829002 
1 1 1 8  5  15 o 20.353  4.4461 631.629   192.211  585.347   234.819  725.607   334.610  20.212  5.6104 20.494  6.8988 -0.2819176     8.892171 
1 1 1 8  5  16 o 9.3109  2.9066 57.812    104.700  72.294    132.095  33.338    171.718  9.2842  3.9794 9.3375  4.2378 -0.5329990E-01 5.813257 
1 1 1 8  5  17 o 9.4307  3.0334 102.731   123.852  34.180    162.679  197.250   191.020  8.4234  3.9296 10.438  4.6221 -2.014511      6.066733 
1 1 1 8  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  6  5  o 49.853  7.4452 2546.40   742.323  0.0000    0.0000   2546.40   742.323  ?       ?      49.853  7.4452 ?              ?        
1 1 1 8  6  6  o 59.863  9.2432 3855.61   1106.65  0.0000    0.0000   3855.61   1106.65  ?       ?      59.863  9.2432 ?              ?        
1 1 1 8  6  7  o 55.240  6.5323 3386.53   705.887  3544.02   997.167  3228.34   999.386  57.079  8.7350 53.402  9.7152 3.677280       13.06464 
1 1 1 8  6  8  f 50.393  6.1409 3033.61   605.891  3136.77   857.163  2930.60   856.555  51.796  8.2744 48.991  9.0762 2.805264       12.28185 
1 1 1 8  6  9  o 63.440  9.4366 5781.63   1160.25  6352.78   1642.83  5213.24   1638.86  67.872  12.565 59.008  14.082 8.863564       18.87328 
1 1 1 8  6  10 f 27.356  3.5382 819.471   189.337  868.171   266.957  770.178   268.576  28.486  4.6858 26.225  5.3028 2.260351       7.076486 
1 1 1 8  6  11 o 23.946  4.2069 698.912   194.176  726.946   237.454  642.326   337.355  25.306  4.8683 22.585  6.8623 2.721029       8.413811 
1 1 1 8  6  12 o 19.613  3.8221 493.886   155.142  553.284   188.122  367.602   274.299  21.920  4.4433 17.307  6.2201 4.612347       7.644120 
1 1 1 8  6  13 o 20.100  3.3478 553.597   162.899  810.291   197.205  2.2213    289.025  27.491  3.5867 12.710  5.6539 14.78173       6.695573 
1 1 1 8  6  14 o 31.951  6.9595 1852.39   466.383  1518.26   568.853  2537.51   814.561  29.310  8.9123 34.592  10.691 -5.282578      13.91890 
1 1 1 8  6  15 o 13.856  3.2713 134.310   111.471  -11.4777  130.444  528.984   214.626  8.3538  3.7512 19.358  5.3603 -11.00408      6.542519 
1 1 1 8  6  16 o 10.319  3.1550 42.292    106.712  -45.6032  123.535  300.684   211.810  7.3571  3.4295 13.281  5.2966 -5.923866      6.309978 
1 1 1 8  6  17 o 10.891  3.4401 167.216   138.174  59.765    163.561  435.028   258.220  8.8354  4.0573 12.946  5.5567 -4.110539      6.880289 
1 1 1 8  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  7  5  o 106.821 33.619 20285.70  8013.28  0.0000    0.0000   20285.70  8013.28  ?       ?      106.821 33.619 ?              ?        
1 1 1 8  7  6  o 60.379  9.2347 3914.99   1115.18  0.0000    0.0000   3914.99   1115.18  ?       ?      60.379  9.2347 ?              ?        
1 1 1 8  7  7  o 56.024  6.6285 3530.18   727.151  3648.23   1027.39  3411.68   1029.31  57.492  8.9350 54.556  9.7934 2.936386       13.25692 
1 1 1 8  7  8  o 32.456  4.1123 1168.60   258.666  1364.56   366.353  973.808   365.267  35.721  5.1281 29.191  6.4302 6.529650       8.224625 
1 1 1 8  7  9  o 19.379  2.9448 415.184   110.976  485.652   155.178  341.416   158.771  21.226  3.7946 17.531  4.5042 3.695421       5.889542 
1 1 1 8  7  10 o 11.787  2.7385 144.482   72.732   163.167   86.303   98.686    135.112  12.346  3.3912 11.228  4.3008 1.117940       5.476997 
1 1 1 8  7  11 o 15.447  3.3504 271.390   108.076  278.695   128.130  253.377   201.203  15.736  4.0480 15.158  5.3399 0.5782175      6.700871 
1 1 1 8  7  12 o 22.550  4.1930 644.026   186.361  650.966   229.484  630.587   319.361  23.383  5.0545 21.717  6.6916 1.665916       8.385984 
1 1 1 8  7  13 f 9.7746  2.8528 36.879    81.464   9.8508    95.117   111.284   157.815  7.9299  3.3872 11.619  4.5914 -3.689509      5.705661 
1 1 1 8  7  14 o 19.821  3.5377 573.119   178.399  820.252   216.900  56.317    313.658  26.755  4.0535 12.887  5.7991 13.86800       7.075305 
1 1 1 8  7  15 o 9.7071  2.9212 86.089    98.708   97.855    126.829  68.014    157.196  9.7536  4.0210 9.6606  4.2386 0.9293842E-01  5.842428 
1 1 1 8  7  16 o 15.858  4.2376 510.381   180.025  472.987   220.072  586.019   312.990  16.048  5.5891 15.668  6.3712 0.3795700      8.475240 
1 1 1 8  7  17 o 9.4454  3.1232 110.861   136.727  57.837    165.621  224.332   242.281  8.5657  3.9856 10.325  4.8097 -1.759519      6.246429 
1 1 1 8  8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  8  6  o 29.448  4.8002 888.477   282.708  0.0000    0.0000   888.477   282.708  ?       ?      29.448  4.8002 ?              ?        
1 1 1 8  8  7  o 29.978  4.2638 919.731   238.287  1264.99   410.018  743.647   292.812  33.927  6.2738 26.029  5.7757 7.897814       8.527522 
1 1 1 8  8  8  o 53.513  6.9394 3507.71   715.305  3462.48   1010.87  3553.07   1012.32  53.091  9.8839 53.935  9.7432 -0.8441048     13.87878 
1 1 1 8  8  9  o 46.385  8.0332 3540.74   858.888  4478.81   1050.44  1648.67   1491.84  60.727  8.6488 32.043  13.540 28.68401       16.06633 
1 1 1 8  8  10 o 28.895  4.9017 1141.83   292.643  1387.90   357.926  645.648   508.259  35.373  5.0593 22.417  8.3970 12.95588       9.803356 
1 1 1 8  8  11 o 17.210  3.4154 364.155   122.158  414.711   145.077  240.978   226.452  19.318  3.8896 15.102  5.6151 4.215532       6.830707 
1 1 1 8  8  12 o 21.010  3.7154 569.154   164.204  696.395   200.448  309.574   286.302  25.343  3.9547 16.676  6.2909 8.666748       7.430722 
1 1 1 8  8  13 o 21.733  3.9118 627.422   180.750  757.453   221.027  364.905   314.052  26.104  4.2336 17.361  6.5792 8.742594       7.823672 
1 1 1 8  8  14 o 19.668  3.6373 548.182   168.790  716.061   202.974  171.825   303.909  25.163  4.0331 14.173  6.0543 10.99016       7.274680 
1 1 1 8  8  15 o 9.0983  2.9149 1.4791    99.551   -51.4274  115.753  151.788   195.105  7.0838  3.3080 11.113  4.8003 -4.028942      5.829778 
1 1 1 8  8  16 o 13.707  3.9637 387.966   163.044  312.410   196.674  553.996   291.545  12.813  5.1058 14.600  6.0643 -1.787259      7.927438 
1 1 1 8  8  17 o 8.5663  2.8484 123.791   121.574  104.546   151.302  158.857   204.230  8.3096  3.8467 8.8231  4.2020 -0.5134735     5.696815 
1 1 1 8  9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  9  7  o 14.274  3.0810 198.986   101.270  99.295    135.701  324.294   152.139  11.310  4.3155 17.238  4.3984 -5.928181      6.161949 
1 1 1 8  9  8  o 24.614  4.2435 667.305   231.433  285.160   322.323  1073.97   332.505  17.586  6.6651 31.642  5.2541 -14.05601      8.487028 
1 1 1 8  9  9  o 36.804  6.3464 1779.67   517.979  912.558   723.617  2690.89   741.788  26.300  9.9820 47.308  7.8400 -21.00756      12.69278 
1 1 1 8  9  10 o 31.877  5.3392 1465.62   366.730  1870.49   446.922  631.092   641.645  40.935  5.4589 22.820  9.1776 18.11497       10.67841 
1 1 1 8  9  11 o 18.841  3.5732 439.927   134.787  484.853   160.870  334.086   246.919  20.829  4.0071 16.854  5.9173 3.975559       7.146446 
1 1 1 8  9  12 o 22.701  4.3471 647.506   193.502  597.662   235.932  749.933   338.211  22.010  5.4003 23.393  6.8138 -1.383512      8.694287 
1 1 1 8  9  13 o 12.923  3.2834 133.346   93.734   81.917    105.806  320.927   202.068  9.7988  3.7921 16.047  5.3613 -6.248123      6.566859 
1 1 1 8  9  14 o 17.962  3.6663 479.269   154.436  596.617   188.839  242.281   268.360  21.910  4.4611 14.015  5.8194 7.894324       7.332626 
1 1 1 8  9  15 o 16.626  4.1644 428.508   164.245  335.059   199.039  627.944   290.772  14.777  5.2998 18.475  6.4250 -3.697858      8.328743 
1 1 1 8  9  16 o 12.361  3.7067 289.584   143.869  184.482   169.059  565.558   273.948  10.497  4.5006 14.226  5.8910 -3.728289      7.413462 
1 1 1 8  9  17 o 7.9571  2.7453 25.128    121.076  -41.4634  141.101  211.065   235.778  6.7955  3.3000 9.1186  4.3882 -2.323113      5.490576 
1 1 1 8  10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  10 7  f 47.813  13.856 3426.98   1401.79  0.0000    0.0000   3426.98   1401.79  ?       ?      47.813  13.856 ?              ?        
1 1 1 8  10 8  o 32.530  5.4940 1287.93   403.380  511.618   565.203  2093.83   575.878  22.116  8.7050 42.944  6.7051 -20.82766      10.98796 
1 1 1 8  10 9  o 18.832  3.9284 404.569   157.887  422.681   210.633  381.342   238.531  19.296  5.2969 18.367  5.8027 0.9287357      7.856761 
1 1 1 8  10 10 o 14.580  3.3173 242.847   115.177  310.112   145.670  130.661   188.123  16.507  4.3508 12.653  5.0088 3.854164       6.634614 
1 1 1 8  10 11 o 22.410  3.9418 690.448   188.483  847.451   228.393  355.202   333.742  27.623  4.1341 17.197  6.7126 10.42620       7.883521 
1 1 1 8  10 12 o 12.835  2.7349 201.637   84.689   267.112   96.115   -25.6734  179.088  15.659  3.1776 10.011  4.4521 5.647810       5.469803 
1 1 1 8  10 13 o 15.079  3.5113 274.318   115.553  280.240   133.889  257.030   228.762  15.385  4.2230 14.772  5.6111 0.6133633      7.022664 
1 1 1 8  10 14 o 11.778  3.2054 157.595   98.934   174.823   110.567  88.402    221.582  12.057  3.9631 11.499  5.0391 0.5579538      6.410860 
1 1 1 8  10 15 f 15.674  4.1030 402.672   162.113  284.797   196.325  655.292   287.408  13.317  5.1621 18.031  6.3790 -4.714592      8.206024 
1 1 1 8  10 16 o 10.492  3.2698 197.705   129.345  104.779   162.673  357.451   213.285  9.0203  4.1057 11.964  5.0903 -2.943597      6.539685 
1 1 1 8  11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  11 8  f 32.429  8.8242 1370.27   587.577  1370.27   587.577  0.0000    0.0000   32.429  8.8242 ?       ?      ?              ?        
1 1 1 8  11 9  o 25.212  4.1802 759.966   244.094  1264.87   336.780  201.210   354.287  34.015  4.9505 16.408  6.7372 17.60668       8.360477 
1 1 1 8  11 10 o 25.551  4.7705 857.768   279.991  1321.08   391.040  370.351   401.084  32.903  6.1690 18.198  7.2782 14.70420       9.540921 
1 1 1 8  11 11 o 11.579  2.9442 95.793    89.587   16.638    112.276  234.497   148.625  8.7058  3.6984 14.452  4.5820 -5.746024      5.888355 
1 1 1 8  11 12 o 20.604  4.5587 558.768   208.893  580.323   281.736  532.451   311.311  21.171  6.2340 20.038  6.6531 1.132549       9.117310 
1 1 1 8  11 13 f 17.540  3.4797 424.653   136.259  516.860   163.454  214.614   246.697  21.047  4.0298 14.033  5.6741 7.014888       6.959456 
1 1 1 8  11 14 o 7.9473  2.4748 11.899    79.421   68.158    91.539   -159.4012 159.730  8.5970  3.4633 7.2975  3.5362 1.299489       4.949677 
1 1 1 8  11 15 o 9.1244  2.7290 70.373    90.743   125.833   103.398  -115.4992 189.292  10.076  3.7848 8.1726  3.9327 1.903590       5.458065 
1 1 1 8  11 16 o 10.138  3.1598 32.814    120.948  -136.8308 144.547  428.888   220.866  6.6586  3.2569 13.618  5.4157 -6.959126      6.319548 
1 1 1 8  12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  12 9  f 38.376  7.1135 2499.45   706.197  4201.98   997.854  791.049   999.575  53.482  9.6855 23.270  10.421 30.21213       14.22699 
1 1 1 8  12 10 o 15.790  3.1472 302.735   121.658  456.027   154.182  49.837    198.037  20.144  3.9681 11.435  4.8861 8.709273       6.294386 
1 1 1 8  12 11 f 25.017  4.8130 871.848   286.261  1333.60   393.868  354.827   416.772  32.424  6.3008 17.611  7.2773 14.81292       9.625961 
1 1 1 8  12 12 o 15.914  3.7900 315.128   142.874  333.038   189.018  291.257   218.222  16.382  5.1644 15.447  5.5483 0.9351349      7.579927 
1 1 1 8  12 13 o 20.928  4.2112 642.076   185.717  692.477   220.946  520.730   342.827  23.573  4.8483 18.283  6.8869 5.289785       8.422330 
1 1 1 8  12 14 o 13.800  2.8866 292.736   118.223  439.099   136.829  -138.3248 234.818  18.605  3.8054 8.9954  4.3416 9.610088       5.773255 
1 1 1 8  12 15 o 14.892  3.7798 492.546   166.934  562.381   196.226  309.595   317.602  17.960  5.1782 11.824  5.5076 6.135193       7.559631 
1 1 1 8  12 16 o 8.9395  2.9834 140.255   130.104  123.894   149.220  192.118   265.680  8.7049  3.9506 9.1741  4.4716 -0.4692669     5.966736 
1 1 1 8  13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 1  o 74.563  30.028 17377.06  6878.89  0.0000    0.0000   17377.06  6878.89  ?       ?      74.563  30.028 ?              ?        
1 1 1 8  13 2  o 69.965  24.767 10898.38  4333.22  0.0000    0.0000   10898.38  4333.22  ?       ?      69.965  24.767 ?              ?        
1 1 1 8  13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  13 9  o 12.701  4.6227 161.100   152.146  0.0000    0.0000   161.100   152.146  ?       ?      12.701  4.6227 ?              ?        
1 1 1 8  13 10 o 8.7530  2.6183 27.759    62.906   25.995    69.249   36.086    150.460  7.3442  2.9928 10.162  4.2972 -2.817761      5.236671 
1 1 1 8  13 11 o 31.967  6.0499 1648.71   494.440  2729.78   693.025  527.945   705.632  43.838  8.2060 20.096  8.8920 23.74172       12.09982 
1 1 1 8  13 12 o 12.300  2.6218 182.845   90.516   289.925   103.708  -159.5853 185.456  16.070  3.3360 8.5297  4.0455 7.539876       5.243539 
1 1 1 8  13 13 o 20.777  4.1737 666.404   230.717  1126.84   317.932  154.204   335.328  28.268  5.8176 13.287  5.9861 14.98042       8.347327 
1 1 1 8  13 14 o 13.495  3.1757 279.452   111.058  333.595   126.140  92.779    234.218  16.022  3.9593 10.968  4.9662 5.054685       6.351311 
1 1 1 8  13 15 o 9.2702  3.0479 99.139    118.554  66.824    134.791  209.552   249.156  8.3791  3.7832 10.161  4.7796 -1.782033      6.095706 
1 1 1 8  13 16 o 8.7193  2.9483 127.553   139.775  123.608   163.203  138.412   270.762  8.6401  3.9981 8.7984  4.3342 -0.1583376     5.896605 
1 1 1 8  14 0  o 60.594  27.614 9109.18   3632.30  0.0000    0.0000   9109.18   3632.30  60.594  27.614 60.594  27.614 0.000000       0.000000 
1 1 1 8  14 1  o 32.116  5.9113 1256.55   386.677  1061.48   547.321  1450.93   546.367  29.375  8.6996 34.858  8.0057 -5.483767      11.82263 
1 1 1 8  14 2  o 23.320  4.3890 623.250   210.361  517.797   299.101  726.468   295.914  21.326  6.4575 25.314  5.9460 -3.988249      8.778028 
1 1 1 8  14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  14 10 o 16.037  3.6923 301.519   135.114  259.301   178.864  357.625   206.197  14.951  5.0439 17.122  5.3936 -2.170855      7.384546 
1 1 1 8  14 11 o 24.034  4.4848 794.640   256.320  1232.42   350.098  288.879   376.301  31.556  5.7594 16.511  6.8763 15.04550       8.969661 
1 1 1 8  14 12 o 20.840  4.0974 601.112   212.647  933.622   283.379  172.556   321.713  27.321  5.3776 14.359  6.1834 12.96186       8.194715 
1 1 1 8  14 13 o 10.721  3.2193 137.820   114.884  143.324   135.494  123.743   216.694  10.620  4.2360 10.823  4.8490 -0.2028456     6.438668 
1 1 1 8  14 14 o 6.2940  2.1975 -175.6135 88.275   -178.5082 105.839  -168.9974 160.010  5.4660  2.6959 7.1220  3.4711 -1.655991      4.395058 
1 1 1 8  14 15 o 8.5232  2.8110 39.930    102.121  51.840    112.449  -16.1187  243.935  8.0946  3.5672 8.9519  4.3453 -0.8572378     5.622008 
1 1 1 8  15 0  o 26.768  9.1164 980.881   437.693  0.0000    0.0000   980.881   437.693  26.768  9.1164 26.768  9.1164 0.000000       0.000000 
1 1 1 8  15 1  o 25.637  4.6795 745.324   244.693  592.932   346.515  896.898   345.583  22.956  6.9504 28.318  6.2676 -5.361660      9.358992 
1 1 1 8  15 2  o 38.536  7.1191 1866.29   560.466  1563.42   795.457  2164.88   789.811  35.005  10.516 42.066  9.5996 -7.061005      14.23823 
1 1 1 8  15 3  o 20.482  5.6984 478.322   241.954  478.322   241.954  0.0000    0.0000   20.482  5.6984 ?       ?      ?              ?        
1 1 1 8  15 4  o 33.880  9.1643 1476.25   635.969  1476.25   635.969  0.0000    0.0000   33.880  9.1643 ?       ?      ?              ?        
1 1 1 8  15 5  o 36.437  10.311 1857.13   785.210  1857.13   785.210  0.0000    0.0000   36.437  10.311 ?       ?      ?              ?        
1 1 1 8  15 6  o 12.284  4.4280 145.732   139.115  145.732   139.115  0.0000    0.0000   12.284  4.4280 ?       ?      ?              ?        
1 1 1 8  15 7  o 29.876  9.0213 1327.54   584.345  1327.54   584.345  0.0000    0.0000   29.876  9.0213 ?       ?      ?              ?        
1 1 1 8  15 8  o 14.114  4.8133 219.510   162.899  219.510   162.899  0.0000    0.0000   14.114  4.8133 ?       ?      ?              ?        
1 1 1 8  15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  15 10 o 13.749  3.0837 138.678   108.331  -19.2165  135.886  414.042   179.450  8.7988  3.8972 18.700  4.7799 -9.901134      6.167324 
1 1 1 8  15 11 o 8.8749  2.6255 41.781    70.145   48.331    80.500   21.120    142.965  8.2538  3.2736 9.4960  4.1055 -1.242184      5.250909 
1 1 1 8  15 12 o 16.476  3.7562 413.846   143.785  448.747   167.807  317.448   278.886  18.476  4.5672 14.476  5.9646 3.999872       7.512376 
1 1 1 8  15 13 o 17.481  4.2313 503.308   170.160  472.856   200.254  582.407   322.740  17.793  5.2604 17.170  6.6290 0.6226711      8.462594 
1 1 1 8  15 14 o 11.845  3.3743 258.604   129.196  293.800   152.868  170.622   241.698  13.090  4.6499 10.600  4.8911 2.490010       6.748688 
1 1 1 8  15 15 o 11.938  3.8911 152.922   97.841   252.294   106.666  -374.1786 245.664  11.938  3.8911 ?       ?      ?              ?        
1 1 1 8  16 0  o 45.185  18.342 3997.21   1624.46  3997.21   1624.46  0.0000    0.0000   45.185  18.342 45.185  18.342 -0.000000      0.000000 
1 1 1 8  16 1  o 23.628  4.5250 656.188   220.182  579.609   312.757  731.438   310.031  22.203  6.5764 25.052  6.2170 -2.849064      9.049928 
1 1 1 8  16 2  o 40.686  8.1328 2397.37   705.791  1929.79   998.493  2864.28   997.784  35.889  11.915 45.483  11.073 -9.594692      16.26566 
1 1 1 8  16 3  o 20.528  5.7489 481.741   245.412  481.741   245.412  0.0000    0.0000   20.528  5.7489 ?       ?      ?              ?        
1 1 1 8  16 4  o 13.823  4.3829 201.474   135.988  201.474   135.988  0.0000    0.0000   13.823  4.3829 ?       ?      ?              ?        
1 1 1 8  16 5  o 20.116  5.9128 477.975   253.654  477.975   253.654  0.0000    0.0000   20.116  5.9128 ?       ?      ?              ?        
1 1 1 8  16 6  o 20.046  6.0336 488.510   261.697  488.510   261.697  0.0000    0.0000   20.046  6.0336 ?       ?      ?              ?        
1 1 1 8  16 7  o 29.118  8.8925 1275.20   565.440  1275.20   565.440  0.0000    0.0000   29.118  8.8925 ?       ?      ?              ?        
1 1 1 8  16 8  f 10.439  4.2444 69.101    138.884  69.101    138.884  0.0000    0.0000   10.439  4.2444 ?       ?      ?              ?        
1 1 1 8  16 9  o 18.169  5.9471 403.322   249.073  403.322   249.073  0.0000    0.0000   18.169  5.9471 ?       ?      ?              ?        
1 1 1 8  16 10 o 22.922  7.5879 820.576   405.052  820.576   405.052  0.0000    0.0000   22.922  7.5879 ?       ?      ?              ?        
1 1 1 8  16 11 o 15.527  3.6043 233.897   151.287  540.739   228.259  -6.4929   202.036  20.525  5.4638 10.528  4.7022 9.996239       7.208613 
1 1 1 8  16 12 o 7.6966  2.6579 -223.0838 135.965  -64.6497  192.163  -381.9194 192.406  8.6958  4.1224 6.6973  3.3561 1.998456       5.315801 
1 1 1 8  16 13 o 12.493  3.7597 233.562   176.048  47.915    254.339  404.319   243.926  10.413  4.8758 14.574  5.7243 -4.160860      7.519389 
1 1 1 8  16 14 o 8.3941  2.9022 -126.5074 163.624  202.327   234.336  -439.3580 228.570  10.165  4.7336 6.6227  3.3591 3.542807       5.804346 
1 1 1 8  16 15 o 9.6732  3.3158 250.924   194.068  380.480   307.852  165.485   250.000  10.203  4.9356 9.1438  4.4292 1.058939       6.631554 
1 1 1 8  17 0  o 35.309  12.351 1880.01   789.639  0.0000    0.0000   1880.01   789.639  35.309  12.351 35.309  12.351 0.000000       0.000000 
1 1 1 8  17 1  o 28.662  5.4278 1006.92   318.074  935.133   452.570  1076.98   447.127  27.535  7.8406 29.788  7.5078 -2.252197      10.85551 
1 1 1 8  17 2  o 38.712  7.6362 2142.67   630.876  1648.93   890.733  2639.66   893.662  33.366  11.256 44.058  10.323 -10.69228      15.27243 
1 1 1 8  17 3  o 15.574  4.7991 269.817   164.260  269.817   164.260  0.0000    0.0000   15.574  4.7991 ?       ?      ?              ?        
1 1 1 8  17 4  o 16.832  5.0203 317.623   181.789  317.623   181.789  0.0000    0.0000   16.832  5.0203 ?       ?      ?              ?        
1 1 1 8  17 5  o 9.6113  3.8312 61.390    110.770  61.390    110.770  0.0000    0.0000   9.6113  3.8312 ?       ?      ?              ?        
1 1 1 8  17 6  o 28.606  8.6578 1208.19   537.749  1208.19   537.749  0.0000    0.0000   28.606  8.6578 ?       ?      ?              ?        
1 1 1 8  17 7  o 19.784  6.0753 500.497   263.500  500.497   263.500  0.0000    0.0000   19.784  6.0753 ?       ?      ?              ?        
1 1 1 8  17 8  o 10.424  4.2757 65.812    142.513  65.812    142.513  0.0000    0.0000   10.424  4.2757 ?       ?      ?              ?        
1 1 1 8  17 9  o 13.381  4.8429 190.378   166.645  190.378   166.645  0.0000    0.0000   13.381  4.8429 ?       ?      ?              ?        
1 1 1 8  17 10 o 18.470  6.4110 488.108   289.439  488.108   289.439  0.0000    0.0000   18.470  6.4110 ?       ?      ?              ?        
1 1 1 8  17 11 o 12.076  3.5371 134.320   145.501  242.743   203.604  21.159    208.004  13.658  5.2674 10.494  4.7224 3.163762       7.074298 
1 1 1 8  17 12 o 12.902  3.8207 221.705   170.150  115.630   242.458  324.637   238.839  11.524  5.1486 14.280  5.6466 -2.755947      7.641458 
1 1 1 8  17 13 o 11.737  3.7168 251.078   189.249  44.722    267.579  457.616   267.697  9.8046  4.7070 13.669  5.7535 -3.864779      7.433623 
1 1 1 8  17 14 o 11.154  3.6983 357.149   219.559  733.500   314.381  -1.1927   306.766  13.509  5.9583 8.7992  4.3827 4.709685       7.396587 
1 1 1 8  18 0  o 19.287  7.2878 536.563   263.471  536.563   263.471  0.0000    0.0000   19.287  7.2878 19.287  7.2878 -0.000000      0.000000 
1 1 1 8  18 1  o 33.431  6.7401 1568.03   473.114  1499.08   668.696  1637.15   669.472  32.561  9.6087 34.301  9.4547 -1.739716      13.48027 
1 1 1 8  18 2  o 33.632  6.8195 1619.59   489.194  1365.17   693.366  1871.75   690.295  30.486  9.9198 36.779  9.3607 -6.293068      13.63909 
1 1 1 8  18 3  o 41.428  8.6452 2367.84   693.149  2367.84   693.149  0.0000    0.0000   41.428  8.6452 ?       ?      ?              ?        
1 1 1 8  18 4  o 21.867  6.3545 604.288   294.457  604.288   294.457  0.0000    0.0000   21.867  6.3545 ?       ?      ?              ?        
1 1 1 8  18 5  o 27.440  8.2915 1098.64   493.503  1098.64   493.503  0.0000    0.0000   27.440  8.2915 ?       ?      ?              ?        
1 1 1 8  18 6  o 15.061  5.1095 260.769   183.556  260.769   183.556  0.0000    0.0000   15.061  5.1095 ?       ?      ?              ?        
1 1 1 8  18 7  o 22.446  6.9829 698.606   346.826  698.606   346.826  0.0000    0.0000   22.446  6.9829 ?       ?      ?              ?        
1 1 1 8  18 8  o 31.315  10.957 1989.07   846.255  1989.07   846.255  0.0000    0.0000   31.315  10.957 ?       ?      ?              ?        
1 1 1 8  18 9  o 16.512  5.6126 349.648   221.494  349.648   221.494  0.0000    0.0000   16.512  5.6126 ?       ?      ?              ?        
1 1 1 8  18 10 o 21.412  7.8827 913.788   444.215  913.788   444.215  0.0000    0.0000   21.412  7.8827 ?       ?      ?              ?        
1 1 1 8  18 11 o 10.303  4.6325 90.000    199.671  90.000    199.671  0.0000    0.0000   10.303  4.6325 ?       ?      ?              ?        
1 1 1 8  18 12 o 10.484  3.2614 21.182    140.382  -180.1236 182.616  312.002   219.494  7.5814  3.6979 13.386  5.3734 -5.805021      6.522852 
1 1 1 8  18 13 o 11.252  3.7132 359.346   209.188  511.946   296.085  207.257   295.590  12.395  5.6008 10.108  4.8768 2.286765       7.426479 
1 1 1 8  18 14 o 9.5848  3.3043 272.983   205.824  231.266   294.348  312.896   287.915  9.3513  4.5891 9.8183  4.7553 -0.4669847     6.608523 
1 1 1 8  19 0  o 28.021  10.492 1260.22   548.612  1260.22   548.612  0.0000    0.0000   28.021  10.492 28.021  10.492 -0.000000      0.000000 
1 1 1 8  19 1  o 31.487  5.6119 1360.62   340.917  1339.51   416.636  1403.39   593.060  32.651  6.6070 30.324  9.0730 2.327133       11.22375 
1 1 1 8  19 2  o 31.279  5.5174 1333.25   333.429  1329.90   409.797  1339.81   573.529  32.683  6.4981 29.876  8.9186 2.807007       11.03479 
1 1 1 8  19 3  o 19.007  4.1427 407.210   153.032  407.210   153.032  0.0000    0.0000   19.007  4.1427 ?       ?      ?              ?        
1 1 1 8  19 4  o 28.708  9.2527 1380.23   604.163  1380.23   604.163  0.0000    0.0000   28.708  9.2527 ?       ?      ?              ?        
1 1 1 8  19 5  o 26.069  7.7657 942.645   435.173  942.645   435.173  0.0000    0.0000   26.069  7.7657 ?       ?      ?              ?        
1 1 1 8  19 6  o 27.707  8.7159 1205.43   538.658  1205.43   538.658  0.0000    0.0000   27.707  8.7159 ?       ?      ?              ?        
1 1 1 8  19 7  o 16.839  5.6276 344.530   222.641  344.530   222.641  0.0000    0.0000   16.839  5.6276 ?       ?      ?              ?        
1 1 1 8  19 8  o 24.710  8.3149 1051.22   486.067  1051.22   486.067  0.0000    0.0000   24.710  8.3149 ?       ?      ?              ?        
1 1 1 8  19 9  o 7.3810  3.4141 -71.6114  118.838  -71.6114  118.838  0.0000    0.0000   7.3810  3.4141 ?       ?      ?              ?        
1 1 1 8  19 10 o 13.594  5.5418 295.389   237.577  295.389   237.577  0.0000    0.0000   13.594  5.5418 ?       ?      ?              ?        
1 1 1 8  19 11 o 11.801  4.9493 188.096   196.934  188.096   196.934  0.0000    0.0000   11.801  4.9493 ?       ?      ?              ?        
1 1 1 8  19 12 o 9.5495  3.1214 6.1515    154.258  289.282   215.091  -293.7001 221.352  11.829  5.0742 7.2702  3.6368 4.558613       6.242853 
1 1 1 8  19 13 f 8.0280  2.8018 -48.2913  162.854  -180.8451 230.774  83.201    229.848  7.3440  3.6795 8.7119  4.2264 -1.367895      5.603643 
1 1 1 8  20 0  o 8.2069  3.2167 92.534    79.704   144.799   118.631  49.530    107.610  9.5660  4.8964 6.8478  4.1730 -0.000000      0.000000 
1 1 1 8  20 1  o 36.805  8.0098 2728.53   646.456  2633.24   791.122  2920.02   1121.46  39.605  9.9890 34.005  12.524 5.600471       16.01964 
1 1 1 8  20 2  o 37.484  8.3464 2056.41   609.641  2056.41   609.641  0.0000    0.0000   37.484  8.3464 ?       ?      ?              ?        
1 1 1 8  20 3  o 36.497  7.5224 1767.71   530.836  1767.71   530.836  0.0000    0.0000   36.497  7.5224 ?       ?      ?              ?        
1 1 1 8  20 4  o 24.472  7.5534 867.800   406.730  867.800   406.730  0.0000    0.0000   24.472  7.5534 ?       ?      ?              ?        
1 1 1 8  20 5  o 20.226  6.1900 514.093   273.810  514.093   273.810  0.0000    0.0000   20.226  6.1900 ?       ?      ?              ?        
1 1 1 8  20 6  f 25.496  7.9737 960.038   451.564  960.038   451.564  0.0000    0.0000   25.496  7.9737 ?       ?      ?              ?        
1 1 1 8  20 7  o 21.848  7.1691 722.081   361.870  722.081   361.870  0.0000    0.0000   21.848  7.1691 ?       ?      ?              ?        
1 1 1 8  20 8  o 28.498  11.207 2212.68   935.896  2212.68   935.896  0.0000    0.0000   28.498  11.207 ?       ?      ?              ?        
1 1 1 8  20 9  o 19.524  7.0390 698.085   351.555  698.085   351.555  0.0000    0.0000   19.524  7.0390 ?       ?      ?              ?        
1 1 1 8  20 10 o 17.015  6.6766 581.272   331.519  581.272   331.519  0.0000    0.0000   17.015  6.6766 ?       ?      ?              ?        
1 1 1 8  20 11 o 9.8042  4.5368 70.914    210.153  70.914    210.153  0.0000    0.0000   9.8042  4.5368 ?       ?      ?              ?        
1 1 1 8  20 12 o 12.580  5.7771 504.085   331.675  504.085   331.675  0.0000    0.0000   12.580  5.7771 ?       ?      ?              ?        
1 1 1 8  20 13 o 10.694  3.6387 481.893   228.342  434.767   309.232  538.400   338.611  10.537  5.0591 10.851  5.2312 -0.3139791     7.277344 
1 1 1 8  21 0  f 5.5100  2.3613 -102.1778 56.392   -226.4882 70.818   113.243   93.225   2.5075  1.8520 8.5125  4.3442 0.000000       0.000000 
1 1 1 8  21 1  o 27.466  4.0174 935.799   213.403  970.492   300.957  900.716   302.644  28.118  5.5486 26.813  5.8112 1.304871       8.034805 
1 1 1 8  21 2  o 32.900  6.7600 1412.82   429.939  1412.82   429.939  0.0000    0.0000   32.900  6.7600 ?       ?      ?              ?        
1 1 1 8  21 3  o 29.884  5.9721 1091.36   344.451  1091.36   344.451  0.0000    0.0000   29.884  5.9721 ?       ?      ?              ?        
1 1 1 8  21 4  o 14.728  5.2665 244.695   196.408  244.695   196.408  0.0000    0.0000   14.728  5.2665 ?       ?      ?              ?        
1 1 1 8  21 5  o 13.704  5.0154 206.533   179.450  206.533   179.450  0.0000    0.0000   13.704  5.0154 ?       ?      ?              ?        
1 1 1 8  21 6  o 6.2083  3.0207 -185.7659 119.763  -185.7659 119.763  0.0000    0.0000   6.2083  3.0207 ?       ?      ?              ?        
1 1 1 8  21 7  o 22.504  7.4392 791.133   389.380  791.133   389.380  0.0000    0.0000   22.504  7.4392 ?       ?      ?              ?        
1 1 1 8  21 8  o 22.186  8.6074 1196.88   546.184  1196.88   546.184  0.0000    0.0000   22.186  8.6074 ?       ?      ?              ?        
1 1 1 8  21 9  o 18.493  7.4763 863.794   428.203  863.794   428.203  0.0000    0.0000   18.493  7.4763 ?       ?      ?              ?        
1 1 1 8  21 10 o 15.985  6.8358 730.125   388.203  730.125   388.203  0.0000    0.0000   15.985  6.8358 ?       ?      ?              ?        
1 1 1 8  21 11 o 12.425  6.0112 903.301   457.001  903.301   457.001  0.0000    0.0000   12.425  6.0112 ?       ?      ?              ?        
1 1 1 8  21 12 o 7.4413  3.6467 0.9453    183.842  0.9453    183.842  0.0000    0.0000   7.4413  3.6467 ?       ?      ?              ?        
1 1 1 8  22 0  o 35.202  14.180 5475.47   1562.50  5628.04   2209.80  5322.93   2209.62  36.120  20.268 34.283  19.835 -0.000000      0.000000 
1 1 1 8  22 1  f 42.545  7.9938 3374.59   691.785  3380.62   979.132  3368.57   977.534  42.584  11.307 42.506  11.303 0.7795334E-01  15.98768 
1 1 1 8  22 2  o 25.613  4.5831 842.668   225.486  817.917   274.807  893.668   394.476  25.961  5.4655 25.265  7.3586 0.6958160      9.166274 
1 1 1 8  22 3  o 34.077  7.8062 1718.04   520.606  1718.04   520.606  0.0000    0.0000   34.077  7.8062 ?       ?      ?              ?        
1 1 1 8  22 4  f 31.124  6.9209 1364.94   419.670  1364.94   419.670  0.0000    0.0000   31.124  6.9209 ?       ?      ?              ?        
1 1 1 8  22 5  o 26.803  10.196 1762.32   756.066  1762.32   756.066  0.0000    0.0000   26.803  10.196 ?       ?      ?              ?        
1 1 1 8  22 6  o 20.182  7.0288 674.962   348.057  674.962   348.057  0.0000    0.0000   20.182  7.0288 ?       ?      ?              ?        
1 1 1 8  22 7  o 12.992  5.1392 221.658   197.910  221.658   197.910  0.0000    0.0000   12.992  5.1392 ?       ?      ?              ?        
1 1 1 8  22 8  f 11.528  4.8764 153.688   193.860  153.688   193.860  0.0000    0.0000   11.528  4.8764 ?       ?      ?              ?        
1 1 1 8  22 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 8  22 10 o 9.3206  4.3964 105.435   213.487  105.435   213.487  0.0000    0.0000   9.3206  4.3964 ?       ?      ?              ?        
1 1 1 8  22 11 o 7.6058  3.7621 -66.6396  211.310  -66.6396  211.310  0.0000    0.0000   7.6058  3.7621 ?       ?      ?              ?        
1 1 1 8  23 0  o 9.7778  3.7231 148.790   103.096  99.058    140.221  207.307   152.104  8.3687  4.9265 11.187  5.5834 0.000000       0.000000 
1 1 1 8  23 1  o 19.556  3.8532 501.849   153.811  527.499   187.664  449.353   268.470  20.947  4.6050 18.166  6.1792 2.780388       7.706424 
1 1 1 8  23 2  f 20.099  3.9853 539.709   162.635  554.037   197.089  509.132   287.921  21.276  4.7518 18.922  6.3993 2.354063       7.970622 
1 1 1 8  23 3  o 28.022  5.6237 1250.22   318.945  1179.15   388.321  1397.58   559.126  28.645  6.8673 27.399  8.9075 1.245771       11.24740 
1 1 1 8  23 4  o 12.850  3.6771 191.377   99.286   191.377   99.286   0.0000    0.0000   12.850  3.6771 ?       ?      ?              ?        
1 1 1 8  23 5  o 22.602  9.6148 1774.58   760.707  1774.58   760.707  0.0000    0.0000   22.602  9.6148 ?       ?      ?              ?        
1 1 1 8  23 6  o 12.408  5.1661 239.360   212.305  239.360   212.305  0.0000    0.0000   12.408  5.1661 ?       ?      ?              ?        
1 1 1 8  23 7  o 14.998  5.9044 380.786   260.064  380.786   260.064  0.0000    0.0000   14.998  5.9044 ?       ?      ?              ?        
1 1 1 8  23 8  o 12.234  5.1783 238.255   218.807  238.255   218.807  0.0000    0.0000   12.234  5.1783 ?       ?      ?              ?        
1 1 1 8  23 9  o 7.6419  3.7198 -82.2027  182.108  -82.2027  182.108  0.0000    0.0000   7.6419  3.7198 ?       ?      ?              ?        
1 1 1 8  23 10 o 11.247  5.2411 392.817   288.138  392.817   288.138  0.0000    0.0000   11.247  5.2411 ?       ?      ?              ?        
1 1 1 8  24 0  o 19.299  5.7251 668.024   230.366  798.997   327.081  539.106   324.507  22.188  8.0313 16.410  8.1613 0.000000       0.000000 
1 1 1 8  24 1  o 13.489  3.2848 224.845   102.976  204.131   126.073  266.363   178.491  12.835  4.2325 14.142  5.0244 -1.306719      6.569559 
1 1 1 8  24 2  o 10.368  2.9883 84.471    86.127   53.590    99.251   178.627   173.305  8.6179  3.5554 12.118  4.8041 -3.499720      5.976687 
1 1 1 8  24 3  o 15.205  3.4596 277.234   110.659  225.211   130.785  408.332   207.616  13.417  4.3029 16.994  5.4184 -3.576892      6.919159 
1 1 1 8  24 4  o 13.220  3.3218 259.387   110.431  278.548   129.035  206.937   213.490  14.281  4.2227 12.159  5.1289 2.122304       6.643613 
1 1 1 8  24 5  o 12.641  5.1586 239.172   206.133  239.172   206.133  0.0000    0.0000   12.641  5.1586 ?       ?      ?              ?        
1 1 1 8  24 6  o 7.1792  3.5130 -204.5648 168.730  -204.5648 168.730  0.0000    0.0000   7.1792  3.5130 ?       ?      ?              ?        
1 1 1 8  24 7  o 12.863  5.5048 316.726   252.076  316.726   252.076  0.0000    0.0000   12.863  5.5048 ?       ?      ?              ?        
1 1 1 8  24 8  o 7.8670  3.8429 -70.3611  199.300  -70.3611  199.300  0.0000    0.0000   7.8670  3.8429 ?       ?      ?              ?        
1 1 1 8  24 9  o 10.977  5.0551 316.330   256.385  316.330   256.385  0.0000    0.0000   10.977  5.0551 ?       ?      ?              ?        
1 1 1 8  24 10 o 6.4894  3.2925 -365.0514 220.735  -365.0514 220.735  0.0000    0.0000   6.4894  3.2925 ?       ?      ?              ?        
1 1 1 8  25 0  o 4.2279  2.1042 -113.3693 70.787   -20.7858  97.386   -217.0838 103.074  5.0142  3.3775 3.4417  2.5107 0.000000       0.000000 
1 1 1 8  25 1  o 15.804  3.7327 444.824   146.405  488.494   178.362  354.636   256.323  17.977  4.8492 13.631  5.6760 4.346275       7.465374 
1 1 1 8  25 2  o 19.354  4.7838 810.580   227.514  771.351   277.462  891.084   397.479  20.445  6.2260 18.264  7.2647 2.180046       9.567586 
1 1 1 8  25 3  o 21.008  4.9562 926.405   253.946  939.558   306.219  897.439   454.440  23.567  6.3526 18.450  7.6093 5.117373       9.912410 
1 1 1 8  25 4  o 8.6684  2.7490 31.405    82.451   41.164    90.732   -14.8576  197.550  7.9606  3.3501 9.3763  4.3594 -1.415674      5.497953 
1 1 1 8  25 5  o 10.756  3.9458 150.721   111.164  150.721   111.164  0.0000    0.0000   10.756  3.9458 ?       ?      ?              ?        
1 1 1 8  25 6  o 10.324  4.6585 143.609   204.018  143.609   204.018  0.0000    0.0000   10.324  4.6585 ?       ?      ?              ?        
1 1 1 8  25 7  o 6.8119  3.4170 -272.6172 201.999  -272.6172 201.999  0.0000    0.0000   6.8119  3.4170 ?       ?      ?              ?        
1 1 1 8  25 8  o 7.8222  3.8546 -62.9879  214.788  -62.9879  214.788  0.0000    0.0000   7.8222  3.8546 ?       ?      ?              ?        
1 1 1 8  26 0  o 12.763  6.6728 356.387   223.526  0.0000    0.0000   356.387   223.526  12.763  6.6728 12.763  6.6728 -0.000000      0.000000 
1 1 1 8  26 1  o 6.4018  2.1949 -91.2097  71.817   -84.2452  81.756   -114.7426 150.285  5.4713  2.6201 7.3323  3.5221 -1.860911      4.389770 
1 1 1 8  26 2  o 12.365  3.3268 220.278   107.024  209.766   124.763  249.562   208.237  12.238  4.2113 12.491  5.1512 -0.2532349     6.653593 
1 1 1 8  26 3  o 13.316  3.5206 294.849   124.329  296.155   147.559  291.654   230.840  13.904  4.5787 12.727  5.3492 1.176766       7.041169 
1 1 1 8  26 4  o 14.289  3.9392 422.902   153.847  374.779   179.273  557.383   299.687  14.286  5.0397 14.293  6.0556 -0.7279396E-02 7.878366 
1 1 1 8  26 5  o 10.890  3.0930 233.941   114.662  278.152   131.507  93.759    234.167  12.548  4.3233 9.2321  4.4245 3.315441       6.186035 
1 1 1 8  26 6  o 10.701  4.8502 210.176   224.026  210.176   224.026  0.0000    0.0000   10.701  4.8502 ?       ?      ?              ?        
1 1 1 8  26 7  o 6.8498  3.4307 -138.4673 199.864  -138.4673 199.864  0.0000    0.0000   6.8498  3.4307 ?       ?      ?              ?        
1 1 1 8  27 0  o 15.122  8.9996 1031.75   477.001  1031.75   477.001  0.0000    0.0000   15.122  8.9996 15.122  8.9996 0.000000       0.000000 
1 1 1 8  27 1  o 15.528  4.6216 909.362   252.217  849.142   306.146  1036.58   444.972  16.760  6.4603 14.296  6.6106 2.463178       9.243129 
1 1 1 8  27 2  o 10.493  3.1962 151.176   107.353  62.841    124.360  409.512   212.670  8.1968  3.6729 12.789  5.2318 -4.591979      6.392372 
1 1 1 8  27 3  o 8.4977  2.7360 51.270    86.802   15.870    99.218   166.759   179.208  7.1072  3.2239 9.8882  4.4215 -2.780928      5.472034 
1 1 1 8  27 4  o 12.278  3.6330 271.910   130.004  195.782   148.087  527.762   271.480  10.789  4.3842 13.767  5.7943 -2.978485      7.266045 
1 1 1 8  27 5  o 6.4552  2.2821 -100.6668 90.035   -110.1141 100.129  -60.7671  205.774  5.4170  2.6620 7.4933  3.7075 -2.076337      4.564235 
1 1 1 8  27 6  o 10.345  3.2948 226.259   123.262  145.524   140.335  498.829   257.854  9.0472  3.9861 11.644  5.2471 -2.596452      6.589507 
1 1 1 8  28 0  o 7.0652  4.7009 76.718    178.506  76.718    178.506  0.0000    0.0000   7.0652  4.7009 7.0652  4.7009 0.000000       0.000000 
1 1 1 8  28 1  o 6.9940  2.3833 -32.1559  89.149   -27.6810  103.447  -45.0708  175.740  6.4586  3.0507 7.5294  3.6625 -1.070807      4.766652 
1 1 1 8  28 2  o 9.2879  2.9513 172.706   106.259  152.854   120.728  240.956   223.854  9.1261  3.8537 9.4497  4.4709 -0.3236179     5.902572 
1 1 1 8  28 3  o 9.5638  2.8633 211.815   115.331  289.154   132.133  -35.5903  236.330  11.528  4.2886 7.5996  3.7949 3.928510       5.726582 
1 1 1 8  28 4  o 7.0240  2.3314 -15.2727  90.965   70.336    102.998  -318.7967 193.939  7.7912  3.4244 6.2567  3.1646 1.534508       4.662732 
1 1 1 9  1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  1  2  o 79.204  12.847 7043.66   1992.08  6906.26   2816.81  7181.15   2817.63  78.362  18.304 80.046  18.033 -1.684036      25.69468 
1 1 1 9  1  3  o 134.352 23.797 22845.70  6380.67  22693.31  9017.89  22998.48  9029.38  133.839 33.708 134.866 33.599 -1.027390      47.59355 
1 1 1 9  1  4  o 148.961 34.673 42983.88  11966.98 43336.16  16931.61 42632.23  16916.13 149.759 49.034 148.163 49.036 1.596283       69.34539 
1 1 1 9  1  5  o 56.615  9.1825 3531.55   1017.80  3414.72   1440.42  3648.05   1438.36  55.610  13.157 57.619  12.813 -2.008640      18.36493 
1 1 1 9  1  6  o 122.642 21.316 21801.56  4989.71  24369.89  8638.61  20515.70  6112.48  121.469 34.140 123.816 25.532 -2.346779      42.63121 
1 1 1 9  1  7  o 82.829  13.881 10451.08  2383.32  6524.16   4123.32  12421.28  2920.63  62.960  23.844 102.698 14.220 -39.73798      27.76233 
1 1 1 9  1  8  o 48.126  5.4735 2517.27   526.838  2514.37   743.848  2520.18   746.281  48.103  7.7318 48.150  7.7496 -0.4668427E-01 10.94700 
1 1 1 9  1  9  o 45.262  5.7695 2400.95   503.057  2385.41   711.229  2416.50   711.631  45.088  8.1887 45.435  8.1298 -0.3466034     11.53899 
1 1 1 9  1  10 o 12.732  2.5948 171.327   70.131   143.270   97.213   201.774   101.271  11.765  3.7030 13.699  3.6359 -1.933512      5.189578 
1 1 1 9  1  11 o 30.114  4.0961 1047.64   237.745  1034.30   335.636  1061.08   336.810  29.897  5.8227 30.332  5.7628 -0.4351063     8.192299 
1 1 1 9  1  12 o 21.968  3.3861 555.167   148.541  412.333   208.526  702.308   211.646  18.600  5.3309 25.336  4.1768 -6.736086      6.772294 
1 1 1 9  1  13 o 16.688  3.4863 348.334   128.368  412.280   159.784  231.932   215.580  18.840  4.3312 14.537  5.4641 4.302721       6.972502 
1 1 1 9  1  14 o 20.827  4.2579 563.892   180.486  495.963   222.743  693.760   307.982  19.545  5.4781 22.109  6.5200 -2.564604      8.515865 
1 1 1 9  1  15 o 11.341  3.2364 141.231   110.065  148.257   134.258  126.831   192.207  11.271  4.2944 11.411  4.8430 -0.1409149     6.472730 
1 1 1 9  1  16 o 19.915  4.6762 700.732   217.146  443.005   266.711  1207.46   373.980  15.353  5.9986 24.477  7.1752 -9.123672      9.352372 
1 1 1 9  1  17 o 11.570  4.9156 308.918   198.367  308.918   198.367  0.0000    0.0000   11.570  4.9156 ?       ?      ?              ?        
1 1 1 9  2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  2  2  o 118.714 29.791 17852.13  7061.88  0.0000    0.0000   17852.13  7061.88  ?       ?      118.714 29.791 ?              ?        
1 1 1 9  2  3  o 127.574 22.118 20014.65  5601.98  20679.95  7919.84  19348.48  7924.95  130.043 30.906 125.104 31.650 4.938622       44.23668 
1 1 1 9  2  4  o 121.364 23.628 21158.48  5917.27  21315.48  8363.20  21001.10  8373.37  121.953 33.336 120.774 33.495 1.178802       47.25622 
1 1 1 9  2  5  o 31.778  5.3370 1072.16   334.313  1129.76   474.685  1015.47   470.917  32.636  7.4380 30.919  7.6558 1.717358       10.67400 
1 1 1 9  2  6  o 63.878  9.8393 5160.26   1202.54  2944.95   2083.88  6266.30   1472.45  50.528  17.215 77.229  9.5330 -26.70154      19.67863 
1 1 1 9  2  7  o 59.979  7.9376 3777.05   901.529  5245.03   1559.85  3040.73   1104.73  68.425  11.398 51.534  11.050 16.89024       15.87528 
1 1 1 9  2  8  o 56.474  6.8269 3693.94   753.682  3481.44   1063.68  3908.20   1068.07  54.173  10.192 58.775  9.0861 -4.601944      13.65377 
1 1 1 9  2  9  o 31.505  3.8690 1070.73   238.306  1137.27   337.695  1004.72   336.341  32.796  5.1483 30.213  5.7768 2.583920       7.738010 
1 1 1 9  2  10 o 38.068  4.7165 1663.48   351.548  1604.24   496.908  1722.83   497.421  36.994  6.9717 39.141  6.3543 -2.146450      9.433006 
1 1 1 9  2  11 o 20.850  3.1513 481.987   127.543  540.249   182.676  426.573   178.155  22.178  4.2734 19.521  4.6327 2.656879       6.302657 
1 1 1 9  2  12 o 18.515  3.2433 395.740   119.479  397.794   169.132  393.694   168.807  18.565  4.5828 18.464  4.5907 0.1004410      6.486668 
1 1 1 9  2  13 o 30.935  4.6109 1249.62   282.090  1514.54   398.672  984.005   399.199  35.399  5.6312 26.471  7.3027 8.927973       9.221703 
1 1 1 9  2  14 o 25.040  4.1456 828.945   204.480  913.739   290.670  745.869   287.710  26.615  5.6361 23.464  6.0810 3.151106       8.291183 
1 1 1 9  2  15 o 9.9927  3.0163 28.095    96.636   -31.8116  113.037  190.773   186.271  7.5088  3.4195 12.477  4.9698 -4.967900      6.032610 
1 1 1 9  2  16 o 17.798  5.8709 564.172   242.564  564.172   242.564  0.0000    0.0000   17.798  5.8709 ?       ?      ?              ?        
1 1 1 9  2  17 o 8.4669  3.8820 61.145    148.927  61.145    148.927  0.0000    0.0000   8.4669  3.8820 ?       ?      ?              ?        
1 1 1 9  3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  3  3  o 75.808  17.117 6323.49   2533.83  0.0000    0.0000   6323.49   2533.83  ?       ?      75.808  17.117 ?              ?        
1 1 1 9  3  4  f 33.442  7.9226 1189.11   521.752  0.0000    0.0000   1189.11   521.752  ?       ?      33.442  7.9226 ?              ?        
1 1 1 9  3  5  o 59.559  9.7471 3958.11   1138.20  4011.93   1607.20  3903.96   1612.12  60.005  13.694 59.113  13.874 0.8919716      19.49414 
1 1 1 9  3  6  o 37.759  6.3448 1562.60   472.071  1573.47   669.855  1551.86   665.387  37.889  8.9773 37.628  8.9686 0.2608910      12.68962 
1 1 1 9  3  7  o 66.237  12.605 5999.01   1707.69  5789.09   2417.82  6207.95   2412.25  64.811  18.007 67.664  17.643 -2.853600      25.20995 
1 1 1 9  3  8  o 65.532  8.9199 5600.08   1126.63  5568.77   1592.81  5631.43   1593.79  65.295  12.654 65.768  12.575 -0.4735107     17.83970 
1 1 1 9  3  9  o 48.824  5.9515 2754.41   566.810  2973.64   801.265  2534.83   801.914  51.453  7.7864 46.196  9.0030 5.256405       11.90305 
1 1 1 9  3  10 f 47.750  6.4382 2927.03   592.321  3019.17   837.696  2834.91   837.640  48.727  8.9246 46.774  9.2818 1.953781       12.87636 
1 1 1 9  3  11 o 41.357  5.8611 2190.74   467.883  2126.51   660.552  2255.41   662.828  40.592  8.4129 42.122  8.1628 -1.529774      11.72210 
1 1 1 9  3  12 o 19.948  3.2986 461.822   129.250  487.309   185.955  438.000   179.776  20.504  4.6426 19.392  4.6872 1.111475       6.597239 
1 1 1 9  3  13 o 23.560  3.6387 663.059   166.839  597.569   237.400  726.970   234.518  22.185  5.4012 24.935  4.8773 -2.750511      7.277386 
1 1 1 9  3  14 o 29.457  4.8472 1232.20   281.527  1381.28   397.644  1082.36   398.636  31.907  6.4531 27.008  7.2345 4.898174       9.694389 
1 1 1 9  3  15 o 10.458  3.0028 98.256    97.905   112.206   144.731  86.486    132.938  10.802  4.3536 10.114  4.1369 0.6876287      6.005648 
1 1 1 9  3  16 o 11.177  4.3679 167.891   141.432  167.891   141.432  0.0000    0.0000   11.177  4.3679 ?       ?      ?              ?        
1 1 1 9  3  17 o 9.8074  4.3425 142.963   168.583  142.963   168.583  0.0000    0.0000   9.8074  4.3425 ?       ?      ?              ?        
1 1 1 9  4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  4  4  o 105.317 27.544 14815.11  5867.77  0.0000    0.0000   14815.11  5867.77  ?       ?      105.317 27.544 ?              ?        
1 1 1 9  4  5  o 56.393  9.2481 3539.20   1022.99  3642.73   1443.56  3434.76   1449.92  57.294  12.908 55.492  13.248 1.801769       18.49612 
1 1 1 9  4  6  o 96.542  15.851 12766.00  2884.38  17228.28  4994.63  10533.18  3533.07  106.447 24.030 86.636  20.677 19.81101       31.70179 
1 1 1 9  4  7  o 63.114  9.9663 5175.18   1197.26  4171.38   2074.80  5676.31   1465.96  54.909  17.079 71.319  10.278 -16.41014      19.93257 
1 1 1 9  4  8  o 37.335  5.3893 1514.55   372.121  1968.38   650.873  1294.17   453.560  40.924  8.2373 33.746  6.9517 7.178467       10.77864 
1 1 1 9  4  9  o 49.313  6.0525 2835.74   584.421  2934.06   827.346  2737.82   825.650  50.680  8.1625 47.947  8.9388 2.732243       12.10493 
1 1 1 9  4  10 o 52.298  7.5053 3782.20   758.136  3948.67   1072.25  3615.78   1072.08  53.895  10.324 50.702  10.897 3.192837       15.01053 
1 1 1 9  4  11 o 34.125  4.4707 1380.44   297.470  1544.85   421.764  1217.70   419.617  36.791  5.7318 31.458  6.8626 5.333389       8.941420 
1 1 1 9  4  12 o 27.409  3.9548 913.343   209.421  974.609   295.125  851.205   297.219  28.556  5.3645 26.262  5.8124 2.294003       7.909603 
1 1 1 9  4  13 o 24.063  3.7229 687.881   174.276  732.419   247.056  643.768   245.875  24.962  5.1203 23.164  5.4058 1.798096       7.445865 
1 1 1 9  4  14 o 11.545  2.8577 123.677   88.701   233.864   128.943  24.695    122.211  14.099  4.2333 8.9908  3.8399 5.108045       5.715408 
1 1 1 9  4  15 o 19.060  4.4119 577.811   193.774  592.338   237.485  548.875   335.173  20.325  5.6423 17.795  6.7840 2.529770       8.823772 
1 1 1 9  4  16 o 14.504  3.6286 376.967   165.620  544.794   202.044  33.211    289.162  18.434  5.2352 10.575  5.0259 7.859362       7.257181 
1 1 1 9  4  17 o 11.920  3.4452 287.171   152.570  424.588   191.088  45.521    253.399  14.438  5.1913 9.4017  4.5307 5.036597       6.890345 
1 1 1 9  5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  5  4  o 69.991  16.321 5576.69   2242.55  0.0000    0.0000   5576.69   2242.55  ?       ?      69.991  16.321 ?              ?        
1 1 1 9  5  5  o 33.983  8.0351 1234.37   537.521  0.0000    0.0000   1234.37   537.521  ?       ?      33.983  8.0351 ?              ?        
1 1 1 9  5  6  f 50.299  7.9120 3190.88   772.853  1794.04   1336.26  3893.01   947.385  39.755  13.776 60.843  7.7855 -21.08813      15.82405 
1 1 1 9  5  7  o 38.441  5.6171 1630.16   402.930  1576.98   694.033  1657.19   494.869  37.101  9.3553 39.782  6.2198 -2.680996      11.23418 
1 1 1 9  5  8  o 55.241  7.8194 4093.53   833.762  4104.58   1180.21  4082.51   1178.03  55.325  11.053 55.157  11.064 0.1679916      15.63874 
1 1 1 9  5  9  o 33.097  4.1017 1221.76   265.838  1267.89   376.867  1176.08   375.042  34.040  5.5357 32.153  6.0542 1.886600       8.203499 
1 1 1 9  5  10 o 36.661  4.6287 1540.07   329.675  1756.23   467.862  1326.90   464.616  39.867  5.8678 33.455  7.1602 6.412106       9.257433 
1 1 1 9  5  11 o 34.032  4.7775 1444.57   313.710  1449.54   443.556  1439.60   443.750  34.107  6.7413 33.957  6.7715 0.1504478      9.555020 
1 1 1 9  5  12 o 10.316  2.5553 106.688   66.172   75.792    98.552   132.051   89.294   9.5602  3.6705 11.072  3.5559 -1.512289      5.110509 
1 1 1 9  5  13 o 8.8382  2.4506 38.203    65.845   109.289   100.046  -16.1183  87.457   10.547  3.7601 7.1291  3.1436 3.418112       4.901100 
1 1 1 9  5  14 o 13.487  3.4952 193.238   117.951  151.357   144.617  276.458   203.854  11.998  4.4821 14.975  5.3643 -2.976973      6.990343 
1 1 1 9  5  15 o 10.575  3.1327 107.285   111.467  125.980   145.967  81.133    172.647  10.784  4.3631 10.366  4.4965 0.4184151      6.265454 
1 1 1 9  5  16 o 12.330  3.2481 206.832   134.572  388.504   171.132  -87.5317  217.836  15.777  4.9045 8.8829  4.2599 6.893818       6.496239 
1 1 1 9  5  17 o 8.3937  2.8051 14.552    123.485  36.511    158.877  -18.9529  196.253  8.4295  3.9160 8.3579  4.0174 0.7165909E-01  5.610228 
1 1 1 9  6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  6  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  6  6  o 42.562  6.5278 1881.72   555.675  0.0000    0.0000   1881.72   555.675  ?       ?      42.562  6.5278 ?              ?        
1 1 1 9  6  7  o 43.859  6.2316 2104.62   505.464  2464.07   873.134  1923.44   619.902  46.057  9.7809 41.661  7.7242 4.395775       12.46312 
1 1 1 9  6  8  o 48.532  6.1391 2825.45   581.989  3022.57   822.681  2627.97   823.433  50.963  8.0714 46.101  9.2523 4.861172       12.27815 
1 1 1 9  6  9  o 24.884  3.2646 674.316   158.126  789.835   226.094  563.708   221.235  27.340  4.1348 22.429  5.0532 4.911617       6.529265 
1 1 1 9  6  10 o 22.074  3.3366 544.200   142.897  500.332   202.997  587.290   201.189  21.088  4.9055 23.059  4.5240 -1.970989      6.673113 
1 1 1 9  6  11 o 30.781  4.3739 1162.76   259.912  1189.42   368.855  1136.46   366.301  31.190  6.1316 30.371  6.2392 0.8192673      8.747794 
1 1 1 9  6  12 o 23.147  3.5666 634.170   160.595  693.003   227.192  575.417   227.039  24.398  4.8268 21.896  5.2520 2.501944       7.133124 
1 1 1 9  6  13 o 19.987  3.9904 520.412   167.320  580.043   202.859  393.516   295.925  22.259  4.7041 17.715  6.4471 4.543842       7.980841 
1 1 1 9  6  14 o 24.147  4.8744 853.005   240.179  816.666   296.010  923.030   410.906  24.494  6.0727 23.800  7.6264 0.6938457      9.748836 
1 1 1 9  6  15 o 9.3076  2.9320 53.268    101.662  49.192    119.582  63.893    193.074  8.6559  3.7486 9.9592  4.5094 -1.303255      5.863964 
1 1 1 9  6  16 o 9.5180  3.0071 72.651    115.372  109.092   134.942  -26.3674  222.439  9.7850  4.1000 9.2509  4.4000 0.5341196      6.014104 
1 1 1 9  6  17 o 7.8410  2.6513 -3.7683   117.382  52.112    135.737  -169.4918 233.754  8.0749  3.7037 7.6071  3.7948 0.4678235      5.302577 
1 1 1 9  7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  7  6  f 31.998  4.9929 1051.98   319.529  0.0000    0.0000   1051.98   319.529  ?       ?      31.998  4.9929 ?              ?        
1 1 1 9  7  7  o 52.406  8.6517 3143.45   906.807  0.0000    0.0000   3143.45   906.807  ?       ?      52.406  8.6517 ?              ?        
1 1 1 9  7  8  o 50.333  6.0972 2953.60   600.679  2828.18   847.009  3080.50   851.989  48.722  9.0246 51.943  8.2012 -3.220589      12.19438 
1 1 1 9  7  9  o 48.116  6.6453 2950.86   616.482  2850.36   870.913  3051.79   872.764  47.072  9.5768 49.160  9.2154 -2.087772      13.29050 
1 1 1 9  7  10 o 29.029  3.9344 971.696   222.249  1152.16   313.897  790.282   314.719  32.379  4.8472 25.678  6.1986 6.700619       7.868863 
1 1 1 9  7  11 o 23.032  3.5267 617.380   157.754  605.342   222.704  629.505   223.493  22.778  5.0235 23.286  4.9512 -0.5079460     7.053338 
1 1 1 9  7  12 o 27.011  4.5058 853.028   230.185  697.619   281.547  1166.32   399.747  23.817  5.9327 30.205  6.7831 -6.387938      9.011504 
1 1 1 9  7  13 o 15.525  3.4246 236.428   114.261  147.680   137.228  437.038   206.318  12.078  4.3911 18.972  5.2563 -6.893950      6.849126 
1 1 1 9  7  14 o 30.828  6.1244 1965.89   498.684  2466.97   609.605  952.234   867.043  40.813  7.7517 20.844  9.4839 19.96951       12.24877 
1 1 1 9  7  15 f 12.993  3.5657 266.742   133.202  284.669   165.320  233.568   224.891  13.632  4.8363 12.355  5.2408 1.276774       7.131313 
1 1 1 9  7  16 f 9.1593  2.9110 62.376    118.051  136.172   139.275  -125.9282 222.477  10.028  4.1805 8.2906  4.0520 1.737565       5.821945 
1 1 1 9  7  17 o 9.5276  2.9872 207.877   141.188  363.411   167.261  -177.6457 263.335  11.770  4.7026 7.2850  3.6850 4.485126       5.974468 
1 1 1 9  8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  8  6  o 23.707  4.6726 596.335   213.669  0.0000    0.0000   596.335   213.669  ?       ?      23.707  4.6726 ?              ?        
1 1 1 9  8  7  o 18.083  4.0539 353.921   142.990  0.0000    0.0000   353.921   142.990  ?       ?      18.083  4.0539 ?              ?        
1 1 1 9  8  8  o 21.558  3.7191 535.388   155.717  431.067   264.295  590.855   192.718  19.681  6.0912 23.435  4.2691 -3.753433      7.438289 
1 1 1 9  8  9  o 34.140  5.7020 1560.91   388.596  1059.70   670.247  1814.69   476.938  27.937  9.7525 40.342  5.9112 -12.40472      11.40406 
1 1 1 9  8  10 o 38.411  4.9922 1784.57   372.353  2054.14   526.450  1514.72   526.723  42.235  6.2324 34.587  7.8005 7.648563       9.984483 
1 1 1 9  8  11 o 19.885  3.4544 525.328   153.919  703.824   187.293  153.975   270.147  25.587  3.6599 14.183  5.8597 11.40427       6.908794 
1 1 1 9  8  12 o 24.247  4.2139 679.233   197.034  494.462   240.332  1058.03   344.111  19.745  5.7416 28.748  6.1695 -9.002914      8.427896 
1 1 1 9  8  13 o 9.4934  2.7347 59.240    81.441   90.277    98.679   -7.0594   144.225  9.8643  3.6989 9.1225  4.0290 0.7417555      5.469492 
1 1 1 9  8  14 o 15.795  3.4364 358.112   132.494  444.583   156.431  138.629   249.224  19.034  4.2200 12.556  5.4246 6.477830       6.872745 
1 1 1 9  8  15 o 15.807  3.9309 417.349   161.467  464.862   195.122  314.126   287.597  17.708  5.1805 13.906  5.9135 3.802259       7.861744 
1 1 1 9  8  16 o 9.1844  3.0074 75.520    121.954  63.888    144.144  104.820   228.768  8.6707  3.9138 9.6981  4.5673 -1.027325      6.014839 
1 1 1 9  8  17 o 6.3152  2.2270 -140.5582 107.045  -129.6957 130.770  -162.6189 186.360  5.9575  2.9490 6.6729  3.3378 -0.7153692     4.453966 
1 1 1 9  9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  9  7  o 72.318  17.481 9064.73   2500.43  0.0000    0.0000   9064.73   2500.43  ?       ?      72.318  17.481 ?              ?        
1 1 1 9  9  8  o 21.678  3.8482 556.449   165.314  420.047   279.088  630.176   205.184  19.309  6.2940 24.048  4.4294 -4.738493      7.696368 
1 1 1 9  9  9  o 32.132  5.4987 1291.77   399.647  2032.04   563.326  541.636   567.065  42.070  6.6950 22.194  8.7245 19.87682       10.99732 
1 1 1 9  9  10 o 14.823  2.9256 269.940   96.724   346.147   115.909  95.162    175.534  17.840  3.3720 11.806  4.7819 6.034404       5.851232 
1 1 1 9  9  11 f 17.255  3.4520 367.192   123.448  403.841   149.697  289.295   218.244  18.810  4.0953 15.700  5.5582 3.110039       6.903982 
1 1 1 9  9  12 o 14.724  3.3418 249.928   107.244  271.346   124.737  189.225   209.995  15.505  3.9970 13.943  5.3568 1.562419       6.683675 
1 1 1 9  9  13 o 29.161  5.3329 1519.56   379.489  1891.89   462.939  756.832   662.589  38.174  6.0635 20.149  8.7746 18.02489       10.66588 
1 1 1 9  9  14 o 19.388  4.2078 484.673   169.987  328.421   201.831  865.994   315.299  15.297  5.3510 23.479  6.4954 -8.181510      8.415648 
1 1 1 9  9  15 o 16.894  4.0672 536.097   179.417  616.164   221.812  384.577   305.137  19.707  5.4463 14.081  6.0421 5.625837       8.134484 
1 1 1 9  9  16 o 9.5405  3.0475 146.549   123.304  166.689   143.375  89.340    241.645  9.8936  4.1899 9.1874  4.4266 0.7062111      6.095096 
1 1 1 9  9  17 o 11.005  3.3489 249.783   172.454  630.272   226.967  -269.9212 265.259  14.714  5.5890 7.2951  3.6911 7.419110       6.697891 
1 1 1 9  10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  10 7  o 25.915  6.9399 774.704   366.882  0.0000    0.0000   774.704   366.882  ?       ?      25.915  6.9399 ?              ?        
1 1 1 9  10 8  o 28.136  5.3848 976.007   311.249  1046.29   434.419  901.879   446.160  29.320  7.4060 26.953  7.8189 2.366777       10.76959 
1 1 1 9  10 9  o 45.783  8.9257 3986.99   1120.70  6815.91   1587.43  1176.01   1582.39  64.523  12.753 27.043  12.491 37.48063       17.85138 
1 1 1 9  10 10 o 29.039  5.1447 1147.32   375.366  1949.65   521.787  286.729   540.398  39.831  6.5500 18.247  7.9354 21.58434       10.28943 
1 1 1 9  10 11 o 21.806  3.7537 647.521   186.500  881.554   227.809  171.902   324.760  28.473  4.0005 15.139  6.3528 13.33365       7.507423 
1 1 1 9  10 12 o 10.642  2.4754 120.368   76.195   198.959   84.281   -231.2878 178.278  13.428  3.1862 7.8558  3.7894 5.572235       4.950857 
1 1 1 9  10 13 o 23.168  4.1096 820.667   218.027  1045.57   266.790  368.431   378.311  29.794  4.4773 16.543  6.8926 13.25095       8.219110 
1 1 1 9  10 14 o 12.489  3.5333 209.802   125.937  210.140   145.464  208.792   251.641  12.457  4.5222 12.521  5.4301 -0.6393623E-01 7.066548 
1 1 1 9  10 15 o 13.275  3.3359 292.039   129.861  371.371   150.207  57.256    258.403  16.023  4.5012 10.527  4.9247 5.496164       6.671826 
1 1 1 9  10 16 f 8.9616  2.9242 62.053    123.310  109.383   145.583  -58.1117  231.968  9.3466  4.0905 8.5765  4.1798 0.7701693      5.848338 
1 1 1 9  11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  11 8  o 45.521  15.226 4015.02   1629.72  4015.02   1629.72  0.0000    0.0000   45.521  15.226 ?       ?      ?              ?        
1 1 1 9  11 9  o 23.459  4.4291 653.143   239.366  249.751   329.565  1103.53   348.234  16.422  6.5869 30.496  5.9230 -14.07459      8.858243 
1 1 1 9  11 10 o 25.796  5.4068 946.811   308.687  1148.11   426.205  724.705   447.686  29.151  7.3205 22.441  7.9590 6.710501       10.81361 
1 1 1 9  11 11 o 19.362  3.9277 424.975   179.296  154.694   236.777  788.273   274.512  13.498  5.5210 25.226  5.5882 -11.72850      7.855489 
1 1 1 9  11 12 o 19.371  3.8791 448.716   149.339  410.897   180.664  530.308   265.360  18.527  4.8272 20.216  6.0736 -1.689175      7.758280 
1 1 1 9  11 13 o 18.850  4.2179 469.972   169.928  457.358   202.080  500.422   313.985  19.011  5.1757 18.690  6.6614 0.3208714      8.435803 
1 1 1 9  11 14 o 12.189  3.1668 222.913   108.468  266.404   122.853  69.143    231.003  13.921  4.1214 10.457  4.8092 3.464108       6.333590 
1 1 1 9  11 15 o 9.2710  2.8639 77.926    106.364  140.868   117.938  -196.3633 246.201  10.208  3.9888 8.3337  4.1106 1.874773       5.727792 
1 1 1 9  11 16 f 9.6457  2.7496 102.996   113.426  315.572   139.220  -316.6714 195.613  12.882  4.4477 6.4092  3.2341 6.472947       5.499220 
1 1 1 9  12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  12 9  o 21.382  4.1510 577.571   198.622  802.532   268.771  306.890   294.821  26.077  5.3332 16.686  6.3623 9.391039       8.301925 
1 1 1 9  12 10 o 20.166  4.0921 519.746   187.116  709.486   254.172  295.247   276.476  24.199  5.3900 16.133  6.1588 8.065857       8.184288 
1 1 1 9  12 11 o 17.014  3.8703 349.732   152.078  403.455   195.770  267.980   241.498  18.417  5.1265 15.611  5.7998 2.806330       7.740664 
1 1 1 9  12 12 o 8.6410  2.1785 68.100    57.773   124.445   61.596   -344.0069 166.583  10.624  2.8430 6.6583  3.3017 3.965344       4.357083 
1 1 1 9  12 13 o 17.777  4.1523 473.615   163.541  414.425   198.626  598.199   288.167  16.873  5.2902 18.681  6.4016 -1.808464      8.304637 
1 1 1 9  12 14 o 13.839  2.8827 282.475   111.004  411.079   130.580  -52.5953  210.774  18.259  3.7025 9.4186  4.4193 8.840210       5.765323 
1 1 1 9  12 15 o 8.5741  2.7853 53.020    103.643  65.355    121.416  19.895    198.970  8.4026  3.7046 8.7457  4.1602 -0.3430605     5.570581 
1 1 1 9  12 16 o 7.7674  2.6435 44.177    126.409  112.146   142.834  -201.4191 271.512  8.2812  3.7986 7.2536  3.6772 1.027581       5.286911 
1 1 1 9  13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  13 9  o 21.144  6.4614 577.146   298.477  0.0000    0.0000   577.146   298.477  ?       ?      21.144  6.4614 ?              ?        
1 1 1 9  13 10 o 25.139  3.9139 812.006   255.155  1539.79   349.215  -21.4817  373.717  36.650  4.7643 13.629  6.2109 23.02049       7.827768 
1 1 1 9  13 11 o 17.120  4.0005 346.468   156.788  295.470   201.716  424.303   249.199  15.839  5.3563 18.400  5.9437 -2.560520      8.001089 
1 1 1 9  13 12 o 19.008  4.1730 504.877   189.718  671.551   254.295  295.655   284.910  22.583  5.6455 15.433  6.1468 7.149218       8.345963 
1 1 1 9  13 13 o 12.538  3.3171 222.584   123.403  295.854   148.150  56.551    223.016  14.514  4.5718 10.563  4.8075 3.950901       6.634284 
1 1 1 9  13 14 o 12.757  3.5656 230.934   118.534  194.958   134.455  356.427   251.121  11.767  4.3361 13.747  5.6616 -1.979792      7.131292 
1 1 1 9  13 15 o 12.288  3.6108 317.495   136.174  259.921   160.322  466.606   258.009  11.660  4.6213 12.916  5.5494 -1.255793      7.221649 
1 1 1 9  14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 2  o 45.565  12.864 2978.66   1223.60  0.0000    0.0000   2978.66   1223.60  ?       ?      45.565  12.864 ?              ?        
1 1 1 9  14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  14 10 o 13.161  4.8456 175.397   167.856  0.0000    0.0000   175.397   167.856  ?       ?      13.161  4.8456 ?              ?        
1 1 1 9  14 11 o 18.760  4.1751 481.864   180.567  577.724   243.100  363.892   269.684  20.950  5.6655 16.569  6.1342 4.381025       8.350264 
1 1 1 9  14 12 o 21.709  5.1449 873.171   290.669  1155.54   396.176  543.961   427.777  26.207  7.2919 17.211  7.2602 8.996429       10.28990 
1 1 1 9  14 13 o 10.118  3.1641 33.911    110.146  -30.7400  127.436  224.850   219.005  7.7565  3.5691 12.480  5.2258 -4.723526      6.328280 
1 1 1 9  14 14 o 9.1025  2.9925 8.4023    111.362  -48.9382  128.502  181.369   223.183  7.2560  3.4190 10.949  4.9123 -3.692996      5.985007 
1 1 1 9  14 15 o 9.2051  3.0713 107.342   137.120  92.617    159.528  148.992   268.297  8.8163  4.0332 9.5939  4.6330 -0.7775679     6.142549 
1 1 1 9  15 0  o 35.523  12.110 1824.86   771.836  0.0000    0.0000   1824.86   771.836  35.523  12.110 35.523  12.110 0.000000       0.000000 
1 1 1 9  15 1  o 33.162  6.2458 1387.70   423.814  1232.68   599.056  1543.04   599.670  31.076  9.0731 35.247  8.5860 -4.170835      12.49160 
1 1 1 9  15 2  o 26.653  7.2225 870.638   394.590  0.0000    0.0000   870.638   394.590  ?       ?      26.653  7.2225 ?              ?        
1 1 1 9  15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  15 10 o 15.662  5.6550 283.594   227.024  0.0000    0.0000   283.594   227.024  ?       ?      15.662  5.6550 ?              ?        
1 1 1 9  15 11 o 21.095  4.6704 668.581   230.788  822.600   309.689  476.211   346.104  24.266  6.3189 17.923  6.8792 6.342665       9.340876 
1 1 1 9  15 12 o 9.7199  2.1052 120.796   59.974   181.837   63.264   -420.6215 188.415  12.772  2.5657 6.6676  3.3383 6.104522       4.210340 
1 1 1 9  15 13 o 10.665  3.1928 125.333   112.425  107.694   137.558  160.818   195.107  10.029  4.1655 11.302  4.8400 -1.272778      6.385673 
1 1 1 9  15 14 o 6.5731  2.3155 -108.0225 88.609   -90.9919  96.448   -200.1994 224.382  5.6684  2.7470 7.4777  3.7283 -1.809338      4.631016 
1 1 1 9  15 15 o 9.6577  3.2904 303.316   181.415  216.894   225.062  463.633   306.534  9.1677  4.3785 10.148  4.9129 -0.9801197     6.580827 
1 1 1 9  16 0  o 29.711  10.312 1267.95   553.084  0.0000    0.0000   1267.95   553.084  29.711  10.312 29.711  10.312 0.000000       0.000000 
1 1 1 9  16 1  o 34.517  6.7252 1586.39   479.547  1519.71   679.317  1652.62   677.053  33.664  9.6131 35.370  9.4074 -1.706215      13.45030 
1 1 1 9  16 2  o 27.270  5.1514 908.206   291.557  709.796   413.802  1103.81   410.861  24.089  7.6463 30.452  6.9051 -6.363091      10.30278 
1 1 1 9  16 3  o 13.991  4.4448 206.599   139.803  206.599   139.803  0.0000    0.0000   13.991  4.4448 ?       ?      ?              ?        
1 1 1 9  16 4  o 18.729  5.5018 407.040   219.677  407.040   219.677  0.0000    0.0000   18.729  5.5018 ?       ?      ?              ?        
1 1 1 9  16 5  o 13.072  4.5332 173.887   144.705  173.887   144.705  0.0000    0.0000   13.072  4.5332 ?       ?      ?              ?        
1 1 1 9  16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 9  16 11 o 8.6661  4.0655 -92.1545  178.232  0.0000    0.0000   -92.1545  178.232  ?       ?      8.6661  4.0655 ?              ?        
1 1 1 9  16 12 o 7.4190  2.2891 15.128    65.049   65.582    68.974   -390.6770 195.614  8.0725  3.0775 6.7656  3.3894 1.306840       4.578101 
1 1 1 9  16 13 o 11.038  3.2789 169.981   119.839  167.309   148.339  175.002   203.336  10.939  4.4081 11.138  4.8553 -0.1983175     6.557803 
1 1 1 9  16 14 o 12.911  3.8163 427.031   186.861  545.394   232.773  212.518   313.366  15.217  5.6860 10.605  5.0919 4.612098       7.632669 
1 1 1 9  17 0  o 16.111  6.5070 379.987   204.749  379.987   204.749  0.0000    0.0000   16.111  6.5070 16.111  6.5070 -0.000000      0.000000 
1 1 1 9  17 1  o 37.614  8.1771 2291.33   674.964  2262.51   955.771  2320.01   953.321  37.298  11.590 37.930  11.538 -0.6315498     16.35421 
1 1 1 9  17 2  o 17.273  3.5657 334.487   132.437  421.788   194.737  259.364   180.645  19.179  5.0188 15.367  5.0664 3.811429       7.131362 
1 1 1 9  17 3  o 11.211  3.8599 123.988   104.817  123.988   104.817  0.0000    0.0000   11.211  3.8599 ?       ?      ?              ?        
1 1 1 9  17 4  o 22.379  6.4487 624.181   304.402  624.181   304.402  0.0000    0.0000   22.379  6.4487 ?       ?      ?              ?        
1 1 1 9  17 5  o 33.859  11.496 2209.57   929.181  2209.57   929.181  0.0000    0.0000   33.859  11.496 ?       ?      ?              ?        
1 1 1 9  17 6  o 27.142  8.3986 1115.37   502.478  1115.37   502.478  0.0000    0.0000   27.142  8.3986 ?       ?      ?              ?        
1 1 1 9  17 7  o 16.305  5.4305 308.635   207.353  308.635   207.353  0.0000    0.0000   16.305  5.4305 ?       ?      ?              ?        
1 1 1 9  17 8  o 29.178  9.2207 1357.90   602.263  1357.90   602.263  0.0000    0.0000   29.178  9.2207 ?       ?      ?              ?        
1 1 1 9  17 9  o 19.710  6.5941 552.802   305.682  552.802   305.682  0.0000    0.0000   19.710  6.5941 ?       ?      ?              ?        
1 1 1 9  17 10 o 25.541  8.8351 1195.81   549.478  1195.81   549.478  0.0000    0.0000   25.541  8.8351 ?       ?      ?              ?        
1 1 1 9  17 11 o 9.4294  3.0697 -14.3376  133.751  -57.5134  185.136  32.799    193.441  8.8818  4.1593 9.9770  4.5159 -1.095190      6.139426 
1 1 1 9  17 12 o 13.447  3.4277 294.690   127.375  342.556   146.664  147.774   256.950  15.460  4.4823 11.433  5.1869 4.027419       6.855301 
1 1 1 9  17 13 o 7.9270  2.6109 24.862    81.619   19.096    90.015   51.517    193.543  7.0063  3.1332 8.8477  4.1772 -1.841447      5.221702 
1 1 1 9  17 14 o 8.0401  2.6682 94.359    105.897  114.287   116.657  1.0333    252.450  8.2729  3.6401 7.8074  3.9022 0.4655886      5.336401 
1 1 1 9  18 0  o 37.284  14.586 2510.33   1040.23  2510.33   1040.23  0.0000    0.0000   37.284  14.586 37.284  14.586 -0.000000      0.000000 
1 1 1 9  18 1  o 15.917  3.4488 287.490   120.921  251.059   174.483  321.156   167.732  15.063  4.9798 16.770  4.7726 -1.706576      6.897562 
1 1 1 9  18 2  o 8.1322  2.2847 40.382    56.461   -2.5223   92.404   65.944    71.325   7.6258  3.2988 8.6387  3.1619 -1.012894      4.569445 
1 1 1 9  18 3  o 34.072  11.701 2306.58   962.957  2306.58   962.957  0.0000    0.0000   34.072  11.701 ?       ?      ?              ?        
1 1 1 9  18 4  o 24.740  7.2221 816.368   379.584  816.368   379.584  0.0000    0.0000   24.740  7.2221 ?       ?      ?              ?        
1 1 1 9  18 5  f 13.508  4.7668 199.828   160.397  199.828   160.397  0.0000    0.0000   13.508  4.7668 ?       ?      ?              ?        
1 1 1 9  18 6  o 31.191  10.044 1653.36   711.999  1653.36   711.999  0.0000    0.0000   31.191  10.044 ?       ?      ?              ?        
1 1 1 9  18 7  o 25.117  7.6169 876.590   415.922  876.590   415.922  0.0000    0.0000   25.117  7.6169 ?       ?      ?              ?        
1 1 1 9  18 8  o 29.898  10.608 1854.43   795.357  1854.43   795.357  0.0000    0.0000   29.898  10.608 ?       ?      ?              ?        
1 1 1 9  18 9  o 16.495  5.8948 364.388   246.028  364.388   246.028  0.0000    0.0000   16.495  5.8948 ?       ?      ?              ?        
1 1 1 9  18 10 o 14.314  5.6177 281.505   234.733  281.505   234.733  0.0000    0.0000   14.314  5.6177 ?       ?      ?              ?        
1 1 1 9  18 11 o 12.176  5.2090 186.503   225.565  186.503   225.565  0.0000    0.0000   12.176  5.2090 ?       ?      ?              ?        
1 1 1 9  18 12 o 16.713  4.0891 675.196   209.159  813.326   249.759  350.873   382.707  21.163  5.7508 12.263  5.8147 8.899932       8.178200 
1 1 1 9  18 13 o 12.544  3.0275 305.881   121.932  401.053   136.925  -58.6979  267.994  16.195  4.1941 8.8929  4.3671 7.301979       6.054922 
1 1 1 9  19 0  o 6.9466  4.0472 63.114    92.982   63.114    92.982   0.0000    0.0000   6.9466  4.0472 6.9466  4.0472 -0.000000      0.000000 
1 1 1 9  19 1  o 22.254  4.5461 627.526   213.684  634.796   304.384  620.460   300.053  22.367  6.4494 22.141  6.4090 0.2268658      9.092273 
1 1 1 9  19 2  o 11.141  2.8292 122.250   80.332   103.083   122.849  136.568   106.179  10.835  4.1128 11.446  3.8861 -0.6102324     5.658319 
1 1 1 9  19 3  o 13.984  3.1293 223.656   102.791  134.299   156.296  291.764   136.453  12.050  4.6234 15.919  4.2182 -3.868781      6.258508 
1 1 1 9  19 4  o 23.648  7.2142 762.155   372.296  762.155   372.296  0.0000    0.0000   23.648  7.2142 ?       ?      ?              ?        
1 1 1 9  19 5  f 31.760  12.324 2699.15   1119.83  2699.15   1119.83  0.0000    0.0000   31.760  12.324 ?       ?      ?              ?        
1 1 1 9  19 6  o 29.926  9.5904 1490.26   649.776  1490.26   649.776  0.0000    0.0000   29.926  9.5904 ?       ?      ?              ?        
1 1 1 9  19 7  o 26.855  8.6415 1163.96   527.152  1163.96   527.152  0.0000    0.0000   26.855  8.6415 ?       ?      ?              ?        
1 1 1 9  19 8  o 7.9436  3.6784 -78.3655  138.516  -78.3655  138.516  0.0000    0.0000   7.9436  3.6784 ?       ?      ?              ?        
1 1 1 9  19 9  o 15.887  6.0200 405.194   262.916  405.194   262.916  0.0000    0.0000   15.887  6.0200 ?       ?      ?              ?        
1 1 1 9  19 10 o 7.8325  3.7620 -114.7200 171.348  -114.7200 171.348  0.0000    0.0000   7.8325  3.7620 ?       ?      ?              ?        
1 1 1 9  19 11 o 7.3729  3.6479 -272.2539 199.173  -272.2539 199.173  0.0000    0.0000   7.3729  3.6479 ?       ?      ?              ?        
1 1 1 9  19 12 o 9.2259  3.1267 88.449    167.284  184.445   232.788  -14.0589  240.554  9.9024  4.6457 8.5495  4.1859 1.352833       6.253349 
1 1 1 9  19 13 o 7.7134  2.7200 -14.7334  168.899  -99.7126  238.258  71.110    239.466  7.3303  3.6818 8.0965  4.0048 -0.7662163     5.440077 
1 1 1 9  20 0  o 34.419  21.671 7883.11   3144.87  0.0000    0.0000   7883.11   3144.87  34.419  21.671 34.419  21.671 0.000000       0.000000 
1 1 1 9  20 1  o 30.625  6.8751 1565.85   473.412  1512.15   668.673  1619.82   670.341  29.983  9.7408 31.267  9.7047 -1.284115      13.75011 
1 1 1 9  20 2  o 11.596  2.9330 132.580   85.546   141.340   130.174  125.922   113.494  11.920  4.2849 11.272  4.0063 0.6486301      5.866041 
1 1 1 9  20 3  o 29.647  9.8755 1595.88   685.718  1595.88   685.718  0.0000    0.0000   29.647  9.8755 ?       ?      ?              ?        
1 1 1 9  20 4  o 29.554  9.3380 1411.14   617.696  1411.14   617.696  0.0000    0.0000   29.554  9.3380 ?       ?      ?              ?        
1 1 1 9  20 5  o 11.737  4.7085 108.041   168.425  108.041   168.425  0.0000    0.0000   11.737  4.7085 ?       ?      ?              ?        
1 1 1 9  20 6  o 10.613  4.3166 81.485    143.723  81.485    143.723  0.0000    0.0000   10.613  4.3166 ?       ?      ?              ?        
1 1 1 9  20 7  o 13.421  5.0818 203.144   187.265  203.144   187.265  0.0000    0.0000   13.421  5.0818 ?       ?      ?              ?        
1 1 1 9  20 8  o 12.246  4.9766 166.369   190.824  166.369   190.824  0.0000    0.0000   12.246  4.9766 ?       ?      ?              ?        
1 1 1 9  20 9  o 12.068  5.1067 219.582   212.706  219.582   212.706  0.0000    0.0000   12.068  5.1067 ?       ?      ?              ?        
1 1 1 9  20 10 o 10.929  4.8286 128.388   207.308  128.388   207.308  0.0000    0.0000   10.929  4.8286 ?       ?      ?              ?        
1 1 1 9  20 11 o 10.978  5.0091 218.512   244.040  218.512   244.040  0.0000    0.0000   10.978  5.0091 ?       ?      ?              ?        
1 1 1 9  20 12 o 8.9105  4.2075 78.629    196.477  78.629    196.477  0.0000    0.0000   8.9105  4.2075 ?       ?      ?              ?        
1 1 1 9  21 0  o 31.853  12.568 1822.73   769.648  1822.73   769.648  0.0000    0.0000   31.853  12.568 31.853  12.568 -0.000000      0.000000 
1 1 1 9  21 1  o 30.521  6.7956 1522.84   462.953  1512.54   651.827  1533.32   657.641  30.442  9.5897 30.601  9.6312 -0.1589546     13.59125 
1 1 1 9  21 2  o 17.290  3.7804 358.379   144.567  324.505   213.090  387.266   196.779  16.567  5.5045 18.014  5.1831 -1.446404      7.560732 
1 1 1 9  21 3  o 31.895  11.561 2273.70   950.277  2273.70   950.277  0.0000    0.0000   31.895  11.561 ?       ?      ?              ?        
1 1 1 9  21 4  o 31.967  11.906 2438.76   1019.06  2438.76   1019.06  0.0000    0.0000   31.967  11.906 ?       ?      ?              ?        
1 1 1 9  21 5  o 17.186  5.8700 391.636   242.282  391.636   242.282  0.0000    0.0000   17.186  5.8700 ?       ?      ?              ?        
1 1 1 9  21 6  o 12.641  5.1256 152.156   201.901  152.156   201.901  0.0000    0.0000   12.641  5.1256 ?       ?      ?              ?        
1 1 1 9  21 7  o 6.7660  3.2815 -174.4699 138.320  -174.4699 138.320  0.0000    0.0000   6.7660  3.2815 ?       ?      ?              ?        
1 1 1 9  21 8  o 13.533  5.5371 323.762   238.256  323.762   238.256  0.0000    0.0000   13.533  5.5371 ?       ?      ?              ?        
1 1 1 9  21 9  o 9.6840  4.3755 31.236    180.679  31.236    180.679  0.0000    0.0000   9.6840  4.3755 ?       ?      ?              ?        
1 1 1 9  21 10 o 12.264  5.4044 317.998   258.083  317.998   258.083  0.0000    0.0000   12.264  5.4044 ?       ?      ?              ?        
1 1 1 9  21 11 o 10.534  4.8791 196.627   243.874  196.627   243.874  0.0000    0.0000   10.534  4.8791 ?       ?      ?              ?        
1 1 1 9  21 12 o 7.9497  3.9284 -26.3358  228.453  -26.3358  228.453  0.0000    0.0000   7.9497  3.9284 ?       ?      ?              ?        
1 1 1 9  22 0  o 28.550  11.416 1459.15   632.097  0.0000    0.0000   1459.15   632.097  28.550  11.416 28.550  11.416 0.000000       0.000000 
1 1 1 9  22 1  o 22.501  4.8712 707.772   239.957  727.859   336.588  687.012   342.181  22.894  6.8318 22.107  6.9455 0.7873592      9.742391 
1 1 1 9  22 2  o 5.5167  2.5271 -37.4255  62.915   -37.4255  62.915   0.0000    0.0000   5.5167  2.5271 ?       ?      ?              ?        
1 1 1 9  22 3  o 14.024  4.1297 230.673   123.638  230.673   123.638  0.0000    0.0000   14.024  4.1297 ?       ?      ?              ?        
1 1 1 9  22 4  o 7.0468  3.2957 -87.3098  115.590  -87.3098  115.590  0.0000    0.0000   7.0468  3.2957 ?       ?      ?              ?        
1 1 1 9  22 5  o 27.726  10.242 1742.41   750.916  1742.41   750.916  0.0000    0.0000   27.726  10.242 ?       ?      ?              ?        
1 1 1 9  22 6  o 11.387  4.7480 123.382   179.699  123.382   179.699  0.0000    0.0000   11.387  4.7480 ?       ?      ?              ?        
1 1 1 9  22 7  o 8.2121  3.9535 -116.1017 191.836  -116.1017 191.836  0.0000    0.0000   8.2121  3.9535 ?       ?      ?              ?        
1 1 1 9  22 8  o 15.817  6.2553 482.184   293.133  482.184   293.133  0.0000    0.0000   15.817  6.2553 ?       ?      ?              ?        
1 1 1 9  22 9  o 10.433  4.7010 132.745   206.877  132.745   206.877  0.0000    0.0000   10.433  4.7010 ?       ?      ?              ?        
1 1 1 9  22 10 o 11.530  5.2972 368.867   279.244  368.867   279.244  0.0000    0.0000   11.530  5.2972 ?       ?      ?              ?        
1 1 1 9  22 11 o 8.1197  3.9958 76.726    228.176  76.726    228.176  0.0000    0.0000   8.1197  3.9958 ?       ?      ?              ?        
1 1 1 9  23 0  o 10.809  5.6559 197.950   160.697  197.950   160.697  0.0000    0.0000   10.809  5.6559 10.809  5.6559 -0.000000      0.000000 
1 1 1 9  23 1  f 14.726  3.2196 269.154   104.482  295.796   128.932  218.193   178.321  15.801  4.0586 13.652  4.9992 2.148705       6.439209 
1 1 1 9  23 2  o 35.067  8.7308 2055.33   609.958  2055.33   609.958  0.0000    0.0000   35.067  8.7308 ?       ?      ?              ?        
1 1 1 9  23 3  f 8.6364  3.3570 60.890    83.203   60.890    83.203   0.0000    0.0000   8.6364  3.3570 ?       ?      ?              ?        
1 1 1 9  23 4  o 12.131  3.6763 179.807   96.914   179.807   96.914   0.0000    0.0000   12.131  3.6763 ?       ?      ?              ?        
1 1 1 9  23 5  o 20.378  8.2527 1126.91   522.748  1126.91   522.748  0.0000    0.0000   20.378  8.2527 ?       ?      ?              ?        
1 1 1 9  23 6  o 15.671  6.2648 510.342   297.044  510.342   297.044  0.0000    0.0000   15.671  6.2648 ?       ?      ?              ?        
1 1 1 9  23 7  o 8.5955  4.1142 -98.9491  201.026  -98.9491  201.026  0.0000    0.0000   8.5955  4.1142 ?       ?      ?              ?        
1 1 1 9  23 8  o 13.780  6.0244 498.042   315.050  498.042   315.050  0.0000    0.0000   13.780  6.0244 ?       ?      ?              ?        
1 1 1 9  23 9  o 10.011  4.6618 187.550   227.282  187.550   227.282  0.0000    0.0000   10.011  4.6618 ?       ?      ?              ?        
1 1 1 9  23 10 o 8.3720  4.0946 118.567   228.375  118.567   228.375  0.0000    0.0000   8.3720  4.0946 ?       ?      ?              ?        
1 1 1 9  24 0  o 18.863  5.8962 685.615   240.769  575.613   341.424  794.433   339.581  16.489  8.3363 21.236  8.3405 0.000000       0.000000 
1 1 1 9  24 1  o 24.334  5.2696 1034.63   272.960  953.645   336.592  1190.20   466.507  24.469  6.6873 24.200  8.1458 0.2693882      10.53918 
1 1 1 9  24 2  o 28.514  7.6768 1442.05   447.506  1442.05   447.506  0.0000    0.0000   28.514  7.6768 ?       ?      ?              ?        
1 1 1 9  24 3  f 22.784  6.4777 940.867   309.149  940.867   309.149  0.0000    0.0000   22.784  6.4777 ?       ?      ?              ?        
1 1 1 9  24 4  o 17.950  5.2198 511.884   198.629  511.884   198.629  0.0000    0.0000   17.950  5.2198 ?       ?      ?              ?        
1 1 1 9  24 5  o 10.925  4.6790 115.220   182.377  115.220   182.377  0.0000    0.0000   10.925  4.6790 ?       ?      ?              ?        
1 1 1 9  24 6  o 9.2324  4.2267 21.663    175.652  21.663    175.652  0.0000    0.0000   9.2324  4.2267 ?       ?      ?              ?        
1 1 1 9  24 7  o 10.552  4.7648 163.967   213.852  163.967   213.852  0.0000    0.0000   10.552  4.7648 ?       ?      ?              ?        
1 1 1 9  24 8  f 11.647  5.3555 384.033   286.267  384.033   286.267  0.0000    0.0000   11.647  5.3555 ?       ?      ?              ?        
1 1 1 9  24 9  o 7.6775  3.8117 -10.3077  224.677  -10.3077  224.677  0.0000    0.0000   7.6775  3.8117 ?       ?      ?              ?        
1 1 1 9  25 0  o 9.7799  3.7807 155.871   115.572  282.981   170.221  47.166    157.416  12.323  5.9459 7.2368  4.6712 -0.000000      0.000000 
1 1 1 9  25 1  o 11.285  2.6640 154.286   77.939   59.173    114.058  237.599   106.748  8.9174  3.7546 13.653  3.7803 -4.735274      5.327975 
1 1 1 9  25 2  o 20.669  5.5041 645.561   231.582  645.561   231.582  0.0000    0.0000   20.669  5.5041 ?       ?      ?              ?        
1 1 1 9  25 3  o 14.307  4.4107 284.694   138.730  284.694   138.730  0.0000    0.0000   14.307  4.4107 ?       ?      ?              ?        
1 1 1 9  25 4  o 11.878  4.0555 193.068   115.645  193.068   115.645  0.0000    0.0000   11.878  4.0555 ?       ?      ?              ?        
1 1 1 9  25 5  o 10.389  3.8738 146.406   107.929  146.406   107.929  0.0000    0.0000   10.389  3.8738 ?       ?      ?              ?        
1 1 1 9  25 6  o 10.323  4.7373 196.669   222.435  196.669   222.435  0.0000    0.0000   10.323  4.7373 ?       ?      ?              ?        
1 1 1 9  25 7  o 9.3992  4.4058 79.648    208.574  79.648    208.574  0.0000    0.0000   9.3992  4.4058 ?       ?      ?              ?        
1 1 1 9  25 8  o 9.5906  4.6692 382.510   287.301  382.510   287.301  0.0000    0.0000   9.5906  4.6692 ?       ?      ?              ?        
1 1 1 9  26 0  o 11.578  4.3893 286.731   141.405  242.110   199.245  332.014   200.717  10.574  6.0247 12.582  6.3848 -0.000000      0.000000 
1 1 1 9  26 1  o 7.3066  2.4060 -21.8364  72.603   -19.4801  82.322   -30.0857  154.032  6.4114  2.9192 8.2018  3.8254 -1.790433      4.811960 
1 1 1 9  26 2  o 8.1075  2.6302 11.450    82.491   8.0935    93.266   23.512    176.792  7.1793  3.2014 9.0358  4.1741 -1.856554      5.260486 
1 1 1 9  26 3  f 13.180  4.7054 297.459   156.723  297.459   156.723  0.0000    0.0000   13.180  4.7054 ?       ?      ?              ?        
1 1 1 9  26 4  o 14.735  5.1139 444.078   184.163  444.078   184.163  0.0000    0.0000   14.735  5.1139 ?       ?      ?              ?        
1 1 1 9  26 5  o 15.111  4.9896 438.400   175.185  438.400   175.185  0.0000    0.0000   15.111  4.9896 ?       ?      ?              ?        
1 1 1 9  26 6  o 8.6814  4.1443 61.713    201.128  61.713    201.128  0.0000    0.0000   8.6814  4.1443 ?       ?      ?              ?        
1 1 1 9  26 7  o 8.0250  3.9342 22.428    214.586  22.428    214.586  0.0000    0.0000   8.0250  3.9342 ?       ?      ?              ?        
1 1 1 9  27 0  o 13.894  5.9987 963.348   319.080  873.476   454.091  1051.00   448.456  12.863  8.1556 14.926  8.7991 0.000000       0.000000 
1 1 1 9  27 1  o 13.583  3.7710 507.245   167.265  547.934   200.546  414.249   303.186  15.792  5.3408 11.374  5.3253 4.417773       7.542037 
1 1 1 9  27 2  o 10.176  3.1418 150.081   106.841  112.484   122.607  268.719   217.797  9.1742  3.8793 11.177  4.9432 -2.003247      6.283618 
1 1 1 9  27 3  o 10.832  3.3659 199.677   138.086  119.526   177.925  321.072   218.968  9.6249  4.3460 12.040  5.1409 -2.414801      6.731788 
1 1 1 9  27 4  o 9.3997  3.8241 143.447   112.829  143.447   112.829  0.0000    0.0000   9.3997  3.8241 ?       ?      ?              ?        
1 1 1 9  27 5  f 11.272  4.6537 339.467   170.218  339.467   170.218  0.0000    0.0000   11.272  4.6537 ?       ?      ?              ?        
1 1 1 9  28 0  o 4.1604  3.0088 -162.0381 131.236  0.0000    0.0000   -162.0381 131.236  4.1604  3.0088 4.1604  3.0088 -0.000000      0.000000 
1 1 1 9  28 1  o 9.7624  2.9850 243.312   118.081  282.935   138.564  138.215   225.669  11.088  4.3260 8.4369  4.1142 2.651052       5.970017 
1 1 1 9  28 2  o 9.8801  3.1449 241.735   123.325  206.331   142.514  347.290   246.076  9.7435  4.1536 10.017  4.7233 -0.2730684     6.289844 
1 1 1 9  28 3  o 8.3228  2.7365 81.039    100.680  68.879    116.306  117.391   201.095  7.8744  3.5386 8.7711  4.1751 -0.8967323     5.472942 
1 1 1 10 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 1  2  o 105.433 24.766 12942.32  5133.52  0.0000    0.0000   12942.32  5133.52  ?       ?      105.433 24.766 ?              ?        
1 1 1 10 1  3  o 129.156 25.596 24675.21  6877.79  24156.31  9719.39  25195.67  9733.95  127.455 36.350 130.857 36.044 -3.401779      51.19100 
1 1 1 10 1  4  o 117.367 23.214 20232.37  5664.00  19780.47  8014.01  20683.39  8006.21  115.689 33.012 119.045 32.648 -3.356201      46.42897 
1 1 1 10 1  5  o 82.676  14.334 8339.61   2352.03  8435.16   3329.46  8244.43   3323.09  83.207  20.208 82.144  20.336 1.062881       28.66892 
1 1 1 10 1  6  o 57.353  10.066 4001.47   1150.98  4267.83   1626.19  3734.09   1629.27  59.540  13.908 55.166  14.556 4.374039       20.13181 
1 1 1 10 1  7  o 28.239  4.0661 812.459   213.470  1016.27   367.441  708.620   262.271  30.706  6.1968 25.772  5.2661 4.933800       8.132209 
1 1 1 10 1  8  o 40.447  6.4776 2013.80   490.316  2094.52   847.462  1973.19   601.149  39.782  10.498 41.111  7.5909 -1.328682      12.95516 
1 1 1 10 1  9  o 30.612  3.8946 1022.30   233.254  964.004   329.554  1080.81   330.189  29.411  5.8087 31.812  5.1896 -2.401518      7.789266 
1 1 1 10 1  10 o 11.960  2.4963 151.034   64.206   129.725   90.729   172.411   90.874   11.234  3.5819 12.685  3.4779 -1.451552      4.992616 
1 1 1 10 1  11 o 21.437  3.2031 519.014   133.036  489.212   189.174  548.174   187.126  20.740  4.6727 22.134  4.3822 -1.393688      6.406112 
1 1 1 10 1  12 f 33.927  5.1649 1563.29   340.138  1617.27   482.113  1509.79   479.949  34.687  7.1858 33.167  7.4208 1.519527       10.32972 
1 1 1 10 1  13 o 24.565  3.7740 718.779   180.632  839.051   258.683  604.334   252.340  26.864  4.9986 22.265  5.6557 4.599373       7.548015 
1 1 1 10 1  14 o 7.7717  2.4337 -37.8468  81.320   45.790    99.347   -207.6720 141.566  8.7495  3.5772 6.7940  3.3007 1.955596       4.867353 
1 1 1 10 1  15 o 12.529  3.2525 186.840   123.623  307.876   155.672  -19.8067  203.408  15.194  4.6703 9.8651  4.5281 5.328588       6.505020 
1 1 1 10 1  16 o 16.859  4.0314 587.471   199.248  754.044   243.771  252.213   345.836  21.312  5.6336 12.406  5.7681 8.906126       8.062798 
1 1 1 10 1  17 o 8.1943  2.7804 -41.9795  134.221  38.502    160.918  -225.9886 243.319  8.5622  3.9648 7.8264  3.8990 0.7357655      5.560740 
1 1 1 10 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 2  2  o 144.626 39.265 29534.41  11649.43 0.0000    0.0000   29534.41  11649.43 ?       ?      144.626 39.265 ?              ?        
1 1 1 10 2  3  o 60.918  9.8732 4105.00   1177.23  4157.58   1664.06  4052.31   1665.67  61.340  13.887 60.496  14.038 0.8431778      19.74638 
1 1 1 10 2  4  o 41.178  6.7335 1820.08   543.506  1828.03   765.771  1812.01   771.530  41.278  9.4761 41.078  9.5689 0.1997795      13.46700 
1 1 1 10 2  5  o 80.472  13.861 7826.48   2210.13  7929.54   3128.36  7723.78   3122.83  81.067  19.527 79.878  19.676 1.189484       27.72120 
1 1 1 10 2  6  o 71.929  13.648 7077.68   2004.33  7022.57   2838.13  7132.51   2830.98  71.565  19.360 72.293  19.241 -0.7289276     27.29518 
1 1 1 10 2  7  o 64.710  10.714 6243.64   1471.63  3105.03   2548.64  7813.50   1802.48  46.692  18.451 82.728  10.894 -36.03540      21.42722 
1 1 1 10 2  8  o 23.373  3.8800 576.527   170.366  731.203   298.194  501.573   207.580  25.421  5.9673 21.324  4.9608 4.097683       7.760017 
1 1 1 10 2  9  o 18.963  3.5031 422.243   132.870  287.755   237.600  483.437   160.273  16.693  5.8077 21.232  3.9187 -4.538767      7.006124 
1 1 1 10 2  10 o 12.145  2.6619 154.295   71.494   141.581   102.131  166.512   100.114  11.759  3.8057 12.530  3.7229 -0.7716675     5.323892 
1 1 1 10 2  11 o 24.563  3.3928 681.742   163.037  580.750   229.251  785.090   231.910  22.293  5.2317 26.832  4.3215 -4.538897      6.785701 
1 1 1 10 2  12 o 16.278  3.0862 303.543   104.853  401.273   153.639  218.341   143.454  18.686  4.2118 13.869  4.5120 4.816833       6.172324 
1 1 1 10 2  13 o 29.285  4.3529 1064.53   246.839  1047.37   350.981  1081.33   347.217  28.961  6.2433 29.609  6.0673 -0.6477909     8.705825 
1 1 1 10 2  14 o 23.477  3.9432 711.739   182.495  676.474   256.444  747.923   259.763  22.785  5.6542 24.170  5.4977 -1.384834      7.886415 
1 1 1 10 2  15 o 9.9837  3.0160 67.460    103.901  39.827    132.093  112.300   168.264  9.0877  3.9376 10.880  4.5695 -1.792096      6.032006 
1 1 1 10 2  16 o 15.399  4.0933 418.486   165.286  312.903   205.051  614.355   279.287  13.556  5.2699 17.241  6.2650 -3.684916      8.186658 
1 1 1 10 2  17 o 13.100  3.9431 457.718   182.206  444.526   225.676  482.417   308.804  13.647  5.4590 12.553  5.6915 1.094744       7.886285 
1 1 1 10 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 3  3  o 77.204  18.252 6934.22   2773.76  0.0000    0.0000   6934.22   2773.76  ?       ?      77.204  18.252 ?              ?        
1 1 1 10 3  4  o 96.483  17.251 11864.21  3330.80  11720.90  4707.27  12007.91  4713.65  95.806  24.477 97.161  24.315 -1.354965      34.50160 
1 1 1 10 3  5  o 87.227  15.639 9701.51   2732.11  9685.48   3859.51  9717.61   3868.09  87.161  22.107 87.293  22.127 -0.1318741     31.27783 
1 1 1 10 3  6  f 67.030  12.294 5843.14   1665.68  5419.06   2357.59  6265.81   2353.67  64.138  17.768 69.921  16.996 -5.782928      24.58801 
1 1 1 10 3  7  o 50.681  7.0915 2811.82   663.577  3485.41   1155.39  2480.26   810.604  54.436  10.991 46.926  8.9640 7.510048       14.18293 
1 1 1 10 3  8  o 31.728  5.0704 1169.34   300.268  1211.59   521.803  1148.42   367.147  31.464  8.2066 31.993  5.9571 -0.5298748     10.14074 
1 1 1 10 3  9  o 40.735  5.3671 2014.41   421.168  2000.79   594.640  2028.11   596.610  40.578  7.6065 40.892  7.5739 -0.3135796     10.73422 
1 1 1 10 3  10 o 18.562  2.9017 376.863   105.042  423.055   146.900  328.532   150.262  19.822  3.8442 17.303  4.3475 2.518970       5.803394 
1 1 1 10 3  11 o 25.207  3.6755 741.659   179.136  744.402   254.580  738.970   252.111  25.243  5.2152 25.171  5.1806 0.7120895E-01  7.351013 
1 1 1 10 3  12 o 11.592  2.6017 141.042   72.073   70.026    102.836  209.599   101.040  9.5232  3.7237 13.661  3.6346 -4.137518      5.203463 
1 1 1 10 3  13 o 34.227  5.0573 1560.70   335.157  1697.22   475.871  1426.32   472.119  36.157  6.8310 32.297  7.4594 3.859222       10.11462 
1 1 1 10 3  14 o 15.470  3.3428 294.893   112.983  298.474   160.694  291.392   158.886  15.554  4.7385 15.387  4.7163 0.1666527      6.685583 
1 1 1 10 3  15 o 9.5540  2.8207 80.633    90.635   47.506    138.008  105.757   120.188  9.1541  3.9950 9.9539  3.9830 -0.7998667     5.641337 
1 1 1 10 3  16 o 17.357  4.0423 547.282   164.870  649.730   239.477  454.971   227.319  19.098  5.7771 15.617  5.6556 3.481590       8.084559 
1 1 1 10 3  17 o 13.272  5.3838 436.880   222.870  436.880   222.870  0.0000    0.0000   13.272  5.3838 ?       ?      ?              ?        
1 1 1 10 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 4  4  o 98.502  25.633 12854.15  5098.35  0.0000    0.0000   12854.15  5098.35  ?       ?      98.502  25.633 ?              ?        
1 1 1 10 4  5  o 42.827  7.1354 2022.63   601.328  2100.43   848.151  1944.00   852.679  43.712  9.9279 41.943  10.251 1.768879       14.27071 
1 1 1 10 4  6  o 48.732  8.3560 2761.62   806.016  2799.47   1137.12  2723.41   1142.66  49.116  11.736 48.349  11.898 0.7672195      16.71209 
1 1 1 10 4  7  o 48.449  6.9472 2633.34   627.540  2873.44   1089.44  2514.13   767.693  48.771  11.377 48.127  7.9757 0.6443596      13.89442 
1 1 1 10 4  8  o 30.065  4.7429 993.708   265.194  1193.22   464.252  897.077   323.096  31.845  7.4259 28.286  5.9022 3.559063       9.485743 
1 1 1 10 4  9  o 18.868  2.9340 389.943   107.715  400.385   152.381  379.515   152.282  19.141  4.1038 18.596  4.1944 0.5444527      5.868029 
1 1 1 10 4  10 o 30.275  3.9521 1031.73   233.293  1161.98   331.373  903.727   328.499  32.645  5.0754 27.905  6.0596 4.739876       7.904264 
1 1 1 10 4  11 o 24.442  4.3539 698.644   202.667  895.052   356.960  605.215   246.196  26.428  6.7342 22.457  5.5204 3.970688       8.707709 
1 1 1 10 4  12 o 17.810  3.0300 363.872   106.645  383.613   152.706  345.077   149.001  18.303  4.2527 17.316  4.3174 0.9873409      6.060094 
1 1 1 10 4  13 o 26.035  3.9520 830.985   199.652  862.984   283.622  799.554   281.097  26.616  5.5096 25.454  5.6672 1.161362       7.904016 
1 1 1 10 4  14 o 16.595  3.3610 341.656   123.894  470.838   175.197  212.427   175.228  19.679  4.5433 13.510  4.9543 6.169221       6.722097 
1 1 1 10 4  15 o 11.850  3.2549 201.241   111.789  166.410   166.253  229.985   151.029  11.202  4.6092 12.498  4.5971 -1.296347      6.509786 
1 1 1 10 4  16 o 15.270  3.4424 420.819   174.579  696.042   211.817  -162.1448 308.276  21.098  5.0806 9.4423  4.6462 11.65530       6.884755 
1 1 1 10 4  17 o 9.3489  3.1219 95.176    134.792  12.649    158.792  307.984   254.990  7.9318  3.7565 10.766  4.9873 -2.834196      6.243763 
1 1 1 10 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 5  4  o 60.972  14.187 4188.31   1697.43  0.0000    0.0000   4188.31   1697.43  ?       ?      60.972  14.187 ?              ?        
1 1 1 10 5  5  o 47.044  11.319 2545.73   1052.00  0.0000    0.0000   2545.73   1052.00  ?       ?      47.044  11.319 ?              ?        
1 1 1 10 5  6  o 24.274  4.4219 637.353   217.421  729.584   304.482  541.399   310.566  26.042  5.9731 22.506  6.5219 3.536398       8.843774 
1 1 1 10 5  7  o 64.732  10.566 5537.83   1288.16  7379.25   2227.12  4612.09   1579.10  71.094  16.044 58.370  13.753 12.72383       21.13173 
1 1 1 10 5  8  f 40.882  6.4490 2016.97   490.667  2105.80   853.404  1973.11   599.700  40.362  10.479 41.402  7.5193 -1.040466      12.89794 
1 1 1 10 5  9  o 33.406  5.5565 1447.90   366.013  987.175   639.833  1672.00   446.236  27.706  9.5367 39.107  5.7054 -11.40035      11.11303 
1 1 1 10 5  10 o 34.703  4.7321 1458.56   316.411  1552.78   449.141  1365.72   445.823  36.040  6.4688 33.366  6.9083 2.674511       9.464182 
1 1 1 10 5  11 o 25.809  3.7515 785.606   187.197  854.378   265.935  718.059   263.555  27.111  5.0915 24.506  5.5110 2.604784       7.502958 
1 1 1 10 5  12 o 24.559  3.4917 693.172   168.306  805.422   240.115  584.754   235.979  26.979  4.4500 22.139  5.3819 4.840149       6.983367 
1 1 1 10 5  13 o 15.345  3.1590 271.520   103.241  308.263   148.762  237.380   143.395  16.288  4.4433 14.401  4.4916 1.887745       6.318038 
1 1 1 10 5  14 o 13.283  3.1415 203.603   99.408   161.487   140.895  245.350   140.275  12.218  4.4483 14.348  4.4371 -2.130523      6.282914 
1 1 1 10 5  15 o 7.4083  2.4919 -88.4480  99.849   -116.4206 133.505  -52.9393  150.418  6.8822  3.3094 7.9343  3.7262 -1.052131      4.983704 
1 1 1 10 5  16 o 11.769  3.3667 224.503   143.172  361.571   180.005  -11.5279  236.211  14.226  5.0466 9.3114  4.4576 4.914578       6.733379 
1 1 1 10 5  17 o 10.128  3.1286 226.236   145.678  421.571   184.335  -98.7132  237.753  12.663  4.9754 7.5940  3.7943 5.068769       6.257108 
1 1 1 10 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 6  5  o 76.483  21.210 8419.30   3357.60  0.0000    0.0000   8419.30   3357.60  ?       ?      76.483  21.210 ?              ?        
1 1 1 10 6  6  o 59.599  15.892 4771.37   1928.96  0.0000    0.0000   4771.37   1928.96  ?       ?      59.599  15.892 ?              ?        
1 1 1 10 6  7  o 53.941  9.3987 4528.13   1051.45  3333.92   1816.84  5129.51   1289.29  43.210  15.937 64.671  9.9680 -21.46141      18.79730 
1 1 1 10 6  8  o 36.257  5.7570 1601.62   397.357  1258.43   690.069  1771.85   486.018  31.893  9.8379 40.621  5.9823 -8.728556      11.51396 
1 1 1 10 6  9  o 54.513  8.2375 4288.03   870.901  4321.17   1232.20  4254.96   1231.08  54.805  11.603 54.222  11.696 0.5823250      16.47504 
1 1 1 10 6  10 o 35.120  4.8999 1489.04   331.904  1441.51   470.244  1536.22   468.527  34.427  7.0663 35.813  6.7899 -1.385147      9.799713 
1 1 1 10 6  11 o 47.748  9.1835 4545.82   908.493  4991.88   1287.28  4103.19   1282.34  51.743  12.565 43.752  13.397 7.991562       18.36692 
1 1 1 10 6  12 o 20.942  3.3039 511.504   134.893  483.140   193.494  538.324   188.153  20.257  4.8417 21.626  4.4968 -1.368208      6.607872 
1 1 1 10 6  13 o 26.564  4.0248 872.873   207.466  921.055   293.333  824.647   293.470  27.465  5.5314 25.663  5.8481 1.802259       8.049682 
1 1 1 10 6  14 o 16.726  3.7796 372.991   144.384  415.443   173.645  277.889   259.900  18.358  4.7071 15.094  5.9148 3.264302       7.559219 
1 1 1 10 6  15 o 12.795  3.5847 205.306   127.342  131.352   152.321  376.976   232.075  10.743  4.4151 14.847  5.6487 -4.104468      7.169417 
1 1 1 10 6  16 o 11.009  3.3321 203.842   132.969  232.766   156.610  129.141   251.683  11.727  4.5926 10.291  4.8290 1.435600       6.664144 
1 1 1 10 6  17 o 8.8424  2.8577 151.487   136.318  294.632   159.855  -230.0990 260.997  10.647  4.4618 7.0379  3.5718 3.609046       5.715366 
1 1 1 10 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 7  6  o 48.061  7.4769 2483.53   718.694  0.0000    0.0000   2483.53   718.694  ?       ?      48.061  7.4769 ?              ?        
1 1 1 10 7  7  o 38.050  6.2573 1599.55   476.176  0.0000    0.0000   1599.55   476.176  ?       ?      38.050  6.2573 ?              ?        
1 1 1 10 7  8  o 38.378  6.1657 1645.11   473.256  0.0000    0.0000   1645.11   473.256  ?       ?      38.378  6.1657 ?              ?        
1 1 1 10 7  9  o 32.409  4.0543 1171.79   257.309  1207.06   363.000  1136.16   364.786  33.220  5.4635 31.597  5.9917 1.622938       8.108644 
1 1 1 10 7  10 f 32.498  4.2698 1241.31   267.247  1280.99   377.524  1201.45   378.366  33.126  5.9154 31.869  6.1591 1.256735       8.539683 
1 1 1 10 7  11 o 34.859  5.1510 1614.14   347.581  1701.04   493.581  1528.66   489.552  36.048  7.0988 33.669  7.4658 2.378990       10.30196 
1 1 1 10 7  12 o 30.811  4.5438 1220.99   270.918  1202.40   384.651  1239.29   381.637  30.480  6.5079 31.142  6.3429 -0.6621418     9.087643 
1 1 1 10 7  13 o 17.218  3.7746 377.099   140.078  375.712   173.212  379.723   238.140  17.450  4.8089 16.986  5.8195 0.4637966      7.549281 
1 1 1 10 7  14 o 16.512  3.8451 335.024   138.788  224.348   164.397  609.597   258.938  13.153  4.8025 19.871  6.0064 -6.718448      7.690283 
1 1 1 10 7  15 o 10.769  3.1268 117.433   113.858  184.883   144.346  6.3576    185.234  11.961  4.4760 9.5760  4.3673 2.385122       6.253613 
1 1 1 10 7  16 o 10.932  3.3068 234.807   143.044  313.062   170.752  50.639    261.948  12.541  4.8274 9.3237  4.5206 3.217344       6.613538 
1 1 1 10 7  17 o 8.2918  2.8393 70.528    135.704  44.294    161.788  132.786   249.237  7.8343  3.7335 8.7493  4.2788 -0.9149518     5.678697 
1 1 1 10 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 8  6  o 48.757  8.7348 2789.75   820.488  0.0000    0.0000   2789.75   820.488  ?       ?      48.757  8.7348 ?              ?        
1 1 1 10 8  7  o 44.740  8.1864 2342.61   705.518  0.0000    0.0000   2342.61   705.518  ?       ?      44.740  8.1864 ?              ?        
1 1 1 10 8  8  o 35.749  5.9182 1412.80   423.141  0.0000    0.0000   1412.80   423.141  ?       ?      35.749  5.9182 ?              ?        
1 1 1 10 8  9  o 17.660  2.8829 342.443   100.109  295.382   141.287  389.890   141.865  16.371  4.2704 18.949  3.8740 -2.577829      5.765798 
1 1 1 10 8  10 o 14.459  2.5876 235.046   77.554   152.105   112.030  311.370   107.468  11.997  3.9915 16.921  3.2941 -4.923873      5.175208 
1 1 1 10 8  11 o 25.669  3.5969 785.578   178.065  855.358   252.838  716.908   250.818  27.008  4.8594 24.329  5.3043 2.679459       7.193725 
1 1 1 10 8  12 o 12.790  2.8975 190.695   86.132   234.504   98.292   45.776    178.772  14.572  3.4297 11.007  4.6710 3.564734       5.794927 
1 1 1 10 8  13 o 17.516  3.8804 395.333   145.993  404.271   173.441  373.605   270.418  18.198  4.7239 16.834  6.1575 1.363848       7.760804 
1 1 1 10 8  14 o 13.119  3.3172 216.959   107.425  227.180   128.866  193.679   194.488  13.469  4.2662 12.769  5.0808 0.6995525      6.634346 
1 1 1 10 8  15 o 14.703  3.9991 370.063   157.958  321.586   191.206  474.251   280.314  14.074  5.1732 15.332  6.1000 -1.257824      7.998217 
1 1 1 10 8  16 o 12.938  3.6801 458.036   169.029  546.234   206.087  276.766   295.451  15.438  5.4068 10.438  4.9940 4.999214       7.360251 
1 1 1 10 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 9  6  o 50.731  18.565 6134.98   2458.75  0.0000    0.0000   6134.98   2458.75  ?       ?      50.731  18.565 ?              ?        
1 1 1 10 9  7  o 33.055  5.8924 1209.43   375.263  0.0000    0.0000   1209.43   375.263  ?       ?      33.055  5.8924 ?              ?        
1 1 1 10 9  8  o 26.830  5.1879 802.933   268.314  0.0000    0.0000   802.933   268.314  ?       ?      26.830  5.1879 ?              ?        
1 1 1 10 9  9  o 48.556  10.466 4442.19   1067.78  6468.83   1845.70  3422.67   1309.09  54.962  15.891 42.151  13.624 12.81057       20.93156 
1 1 1 10 9  10 o 30.773  4.1462 1133.43   249.524  1241.87   352.868  1024.97   352.893  32.799  5.3792 28.746  6.3110 4.053164       8.292420 
1 1 1 10 9  11 o 23.418  4.0986 698.218   189.986  769.730   228.935  540.022   340.502  26.423  4.3321 20.414  6.9589 6.009016       8.197155 
1 1 1 10 9  12 o 12.843  2.8795 189.111   102.004  296.755   118.277  -123.3433 201.511  16.241  3.7210 9.4455  4.3954 6.795853       5.758968 
1 1 1 10 9  13 o 24.535  4.5252 974.362   261.651  1208.59   317.009  473.761   463.439  31.395  5.0487 17.674  7.5112 13.72070       9.050319 
1 1 1 10 9  14 o 10.931  3.2964 70.575    109.183  5.0931    124.505  288.588   227.178  8.2385  3.6845 13.623  5.4672 -5.384276      6.592865 
1 1 1 10 9  15 o 13.889  3.8330 339.272   152.322  339.098   184.426  339.646   270.181  14.373  5.1072 13.405  5.7170 0.9672976      7.665974 
1 1 1 10 9  16 o 7.8006  2.6591 -49.3029  115.880  -22.2018  135.456  -123.2710 223.782  7.5023  3.5274 8.0988  3.9799 -0.5965166     5.318121 
1 1 1 10 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 10 7  o 32.374  8.8933 1359.62   593.506  0.0000    0.0000   1359.62   593.506  ?       ?      32.374  8.8933 ?              ?        
1 1 1 10 10 8  o 44.674  8.0204 2423.98   690.272  0.0000    0.0000   2423.98   690.272  ?       ?      44.674  8.0204 ?              ?        
1 1 1 10 10 9  f 34.817  5.5780 1468.80   367.230  2077.30   630.966  1157.09   451.598  39.706  8.2163 29.928  7.5464 9.778296       11.15593 
1 1 1 10 10 10 o 25.461  4.7847 843.388   285.857  320.711   397.653  1402.32   411.213  17.413  7.1423 33.509  6.3687 -16.09590      9.569379 
1 1 1 10 10 11 o 28.006  4.9278 1222.95   309.874  1518.06   376.813  606.455   544.619  35.799  5.2629 20.213  8.3326 15.58524       9.855522 
1 1 1 10 10 12 o 20.955  3.7873 575.996   165.449  673.407   200.679  369.271   292.345  24.647  4.0710 17.262  6.3876 7.384695       7.574583 
1 1 1 10 10 13 o 9.5010  2.7444 62.365    80.496   104.941   88.785   -134.2374 190.789  10.093  3.5480 8.9086  4.1879 1.184849       5.488801 
1 1 1 10 10 14 o 9.0348  3.0280 -56.3518  147.460  -0.1743   204.001  -117.8217 213.395  9.4429  4.4036 8.6267  4.1573 0.8161764      6.055988 
1 1 1 10 10 15 f 10.306  3.1517 132.582   113.706  127.500   135.997  144.386   207.267  10.018  4.1498 10.594  4.7447 -0.5757313     6.303436 
1 1 1 10 10 16 o 9.7764  3.1774 173.591   137.021  161.061   162.966  203.817   253.110  9.6501  4.2714 9.9027  4.7052 -0.2525711     6.354791 
1 1 1 10 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 11 8  o 27.841  8.0161 1024.97   470.537  0.0000    0.0000   1024.97   470.537  ?       ?      27.841  8.0161 ?              ?        
1 1 1 10 11 9  o 23.390  4.6834 710.123   236.991  888.942   328.611  516.311   342.109  26.725  6.2582 20.056  6.9694 6.668318       9.366866 
1 1 1 10 11 10 o 17.563  3.1041 355.373   138.075  634.097   186.109  14.128    205.928  24.053  3.8688 11.074  4.8553 12.97828       6.208165 
1 1 1 10 11 11 o 33.757  6.3190 1818.19   565.833  3205.27   795.861  400.382   804.628  47.388  8.7186 20.126  9.1492 27.26179       12.63808 
1 1 1 10 11 12 o 16.905  3.7116 372.291   136.807  400.798   162.075  301.642   255.146  18.247  4.4752 15.564  5.9225 2.683460       7.423120 
1 1 1 10 11 13 o 16.115  3.7122 393.793   139.411  425.012   161.281  301.525   277.270  18.009  4.4926 14.221  5.9109 3.788137       7.424444 
1 1 1 10 11 14 o 13.713  2.9228 278.722   118.370  416.187   135.477  -164.8122 243.352  18.276  3.8290 9.1500  4.4171 9.125966       5.845679 
1 1 1 10 11 15 o 9.0655  3.0247 13.896    104.583  -38.8130  115.128  262.720   250.141  6.8944  3.2449 11.236  5.1054 -4.342050      6.049327 
1 1 1 10 11 16 o 6.2136  2.2455 -243.4874 118.941  -280.5460 136.903  -129.4049 240.203  5.2076  2.6368 7.2197  3.6355 -2.012083      4.491041 
1 1 1 10 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 12 9  o 28.755  5.4408 1177.34   362.435  1764.34   505.010  553.875   520.460  36.995  7.0834 20.516  8.2604 16.47892       10.88162 
1 1 1 10 12 10 o 19.239  3.3163 449.662   158.734  752.528   208.163  28.878    245.363  26.294  3.9583 12.184  5.3218 14.11042       6.632510 
1 1 1 10 12 11 o 30.440  6.8242 1646.01   508.417  2197.70   709.961  1065.27   728.414  36.817  9.5578 24.064  9.7431 12.75222       13.64847 
1 1 1 10 12 12 o 14.306  3.2142 247.012   123.037  392.210   156.477  11.858    199.135  18.024  4.3831 10.588  4.7024 7.435635       6.428393 
1 1 1 10 12 13 o 10.588  2.9024 122.991   89.992   166.219   100.084  -59.5340  205.654  11.706  3.7652 9.4701  4.4180 2.235695       5.804787 
1 1 1 10 12 14 o 10.711  2.9636 151.215   101.070  206.358   112.182  -86.4763  232.910  12.297  3.9895 9.1248  4.3836 3.171704       5.927227 
1 1 1 10 12 15 o 11.398  3.2513 287.427   135.887  353.105   153.504  49.547    292.137  13.605  4.6718 9.1919  4.5230 4.412856       6.502548 
1 1 1 10 12 16 o 10.629  3.2437 298.357   155.071  406.346   178.089  -40.2783  315.364  12.888  4.9375 8.3692  4.2080 4.519176       6.487376 
1 1 1 10 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 13 9  f 22.661  6.9891 706.130   348.294  0.0000    0.0000   706.130   348.294  ?       ?      22.661  6.9891 ?              ?        
1 1 1 10 13 10 o 33.178  6.2604 1754.35   505.610  2770.92   714.016  731.931   716.070  44.404  8.3464 21.952  9.3331 22.45205       12.52075 
1 1 1 10 13 11 o 14.396  3.4060 206.409   121.956  76.545    155.839  411.611   195.895  10.728  4.4429 18.064  5.1636 -7.336243      6.811908 
1 1 1 10 13 12 o 26.204  4.9701 1110.35   367.465  2019.03   504.517  83.647    536.284  37.378  7.0063 15.029  7.0511 22.34861       9.940132 
1 1 1 10 13 13 o 7.9734  2.5540 -5.8963   89.828   50.149    107.896  -132.4846 162.156  8.4515  3.6087 7.4953  3.6151 0.9561868      5.108000 
1 1 1 10 13 14 o 7.1477  2.4714 -110.8277 98.126   -76.1061  109.179  -256.7213 223.800  6.4998  3.0889 7.7956  3.8588 -1.295840      4.942807 
1 1 1 10 13 15 o 11.456  3.4983 285.904   146.476  287.248   168.093  281.664   298.578  12.074  4.7489 10.838  5.1383 1.235196       6.996665 
1 1 1 10 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 14 10 o 21.944  4.4841 638.421   217.895  816.198   298.952  436.947   318.253  25.461  5.9736 18.427  6.6890 7.034723       8.968124 
1 1 1 10 14 11 o 27.361  5.6794 1320.71   408.912  2069.84   566.779  507.478   590.529  36.542  7.9789 18.179  8.0846 18.36263       11.35884 
1 1 1 10 14 12 o 20.650  4.2872 691.792   240.643  1104.74   321.395  164.893   363.040  27.745  5.9690 13.555  6.1557 14.18970       8.574493 
1 1 1 10 14 13 o 9.5923  2.9313 65.456    95.945   71.602    112.515  49.076    183.676  9.1682  3.7843 10.016  4.4777 -0.8480339     5.862661 
1 1 1 10 14 14 o 6.5210  2.3502 -192.2125 86.925   -214.7869 94.688   -71.2364  219.198  4.6785  2.3459 8.3635  4.0732 -3.685007      4.700461 
1 1 1 10 14 15 o 6.5768  2.3684 -146.5524 108.416  -175.3505 119.265  -9.5245   260.157  5.3529  2.6764 7.8008  3.9081 -2.447882      4.736722 
1 1 1 10 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 2  o 39.348  11.193 2212.96   922.842  0.0000    0.0000   2212.96   922.842  ?       ?      39.348  11.193 ?              ?        
1 1 1 10 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 15 10 o 18.434  6.4281 478.332   291.145  0.0000    0.0000   478.332   291.145  ?       ?      18.434  6.4281 ?              ?        
1 1 1 10 15 11 o 16.872  6.1434 384.455   268.749  0.0000    0.0000   384.455   268.749  ?       ?      16.872  6.1434 ?              ?        
1 1 1 10 15 12 o 10.450  2.9000 140.908   94.290   186.717   105.439  -41.9783  210.678  11.785  3.8699 9.1159  4.3201 2.668914       5.799963 
1 1 1 10 15 13 o 10.047  3.0513 105.042   105.326  130.462   118.852  12.042    227.333  10.271  4.0067 9.8235  4.6030 0.4471884      6.102579 
1 1 1 10 15 14 o 10.568  3.3432 198.149   139.932  157.463   174.053  272.510   235.304  9.9952  4.4197 11.141  5.0173 -1.145850      6.686350 
1 1 1 10 16 0  o 7.6593  4.2346 83.839    94.805   0.0000    0.0000   83.839    94.805   7.6593  4.2346 7.6593  4.2346 0.000000       0.000000 
1 1 1 10 16 1  o 25.972  6.9641 801.454   369.160  0.0000    0.0000   801.454   369.160  ?       ?      25.972  6.9641 ?              ?        
1 1 1 10 16 2  o ?       ?      -83.6585  14.738   0.0000    0.0000   -83.6585  14.738   ?       ?      ?       ?      ?              ?        
1 1 1 10 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 16 11 o 14.071  5.6318 262.153   240.352  0.0000    0.0000   262.153   240.352  ?       ?      14.071  5.6318 ?              ?        
1 1 1 10 16 12 o 10.509  3.1411 105.080   101.786  112.040   114.482  78.820    222.378  10.117  3.9363 10.901  4.8961 -0.7837086     6.282234 
1 1 1 10 16 13 o 8.6933  2.7216 67.214    87.570   96.367    94.900   -99.9449  227.244  8.9263  3.5499 8.4603  4.1262 0.4660530      5.443151 
1 1 1 10 16 14 f 9.2145  3.0045 146.725   126.455  149.803   152.383  139.919   226.629  9.2794  4.1177 9.1497  4.3765 0.1297560      6.009079 
1 1 1 10 17 0  o 10.268  5.0852 162.631   125.772  0.0000    0.0000   162.631   125.772  10.268  5.0852 10.268  5.0852 0.000000       0.000000 
1 1 1 10 17 1  o 18.129  3.7524 373.976   145.048  346.282   206.876  400.754   203.424  17.508  5.3842 18.751  5.2280 -1.243206      7.504760 
1 1 1 10 17 2  o 41.029  10.281 3683.45   1063.22  3377.05   1504.81  3988.88   1502.44  38.747  14.461 43.312  14.618 -4.565353      20.56270 
1 1 1 10 17 3  o 27.373  7.9363 1026.26   459.778  1026.26   459.778  0.0000    0.0000   27.373  7.9363 ?       ?      ?              ?        
1 1 1 10 17 4  o 34.086  11.671 2296.92   957.765  2296.92   957.765  0.0000    0.0000   34.086  11.671 ?       ?      ?              ?        
1 1 1 10 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 17 11 o 8.3664  4.0184 -108.6306 195.526  0.0000    0.0000   -108.6306 195.526  ?       ?      8.3664  4.0184 ?              ?        
1 1 1 10 17 12 o 8.3378  4.0454 -148.6188 210.785  0.0000    0.0000   -148.6188 210.785  ?       ?      8.3378  4.0454 ?              ?        
1 1 1 10 17 13 o 12.213  2.8227 292.890   113.630  396.824   126.320  -147.8343 260.122  16.274  3.9263 8.1523  4.0564 8.121492       5.645372 
1 1 1 10 17 14 o 7.2542  2.5429 -47.2585  101.670  -63.1373  111.243  33.276    250.527  6.1577  2.9759 8.3508  4.1242 -2.193124      5.085737 
1 1 1 10 18 0  o 37.798  16.736 3253.98   1333.42  0.0000    0.0000   3253.98   1333.42  37.798  16.736 37.798  16.736 0.000000       0.000000 
1 1 1 10 18 1  o 20.278  4.2021 506.737   181.400  512.536   258.737  501.131   254.394  20.377  5.9666 20.179  5.9186 0.1985512      8.404192 
1 1 1 10 18 2  o 35.312  9.0805 2851.85   832.682  2686.28   1181.35  3015.34   1173.87  33.908  12.782 36.716  12.901 -2.808022      18.16103 
1 1 1 10 18 3  o 33.741  11.458 2200.00   923.155  2200.00   923.155  0.0000    0.0000   33.741  11.458 ?       ?      ?              ?        
1 1 1 10 18 4  f 31.826  14.240 4591.87   1862.22  4591.87   1862.22  0.0000    0.0000   31.826  14.240 ?       ?      ?              ?        
1 1 1 10 18 5  o 28.995  8.9277 1278.16   568.588  1278.16   568.588  0.0000    0.0000   28.995  8.9277 ?       ?      ?              ?        
1 1 1 10 18 6  o 8.2239  3.6334 -17.3566  117.395  -17.3566  117.395  0.0000    0.0000   8.2239  3.6334 ?       ?      ?              ?        
1 1 1 10 18 7  o 22.879  7.1286 726.494   361.296  726.494   361.296  0.0000    0.0000   22.879  7.1286 ?       ?      ?              ?        
1 1 1 10 18 8  o 15.144  5.4736 282.105   212.770  282.105   212.770  0.0000    0.0000   15.144  5.4736 ?       ?      ?              ?        
1 1 1 10 18 9  o 23.974  8.1109 969.758   462.532  969.758   462.532  0.0000    0.0000   23.974  8.1109 ?       ?      ?              ?        
1 1 1 10 18 10 o 8.2514  3.9030 -87.4759  170.413  -87.4759  170.413  0.0000    0.0000   8.2514  3.9030 ?       ?      ?              ?        
1 1 1 10 18 11 f 13.965  5.8240 351.018   270.448  351.018   270.448  0.0000    0.0000   13.965  5.8240 ?       ?      ?              ?        
1 1 1 10 18 12 o 16.677  3.9942 553.679   237.387  1362.70   336.085  -251.8046 335.349  24.583  6.6672 8.7711  4.4003 15.81178       7.988387 
1 1 1 10 18 13 o 9.8071  3.0836 182.661   113.676  162.811   130.969  243.287   228.890  9.6082  4.0332 10.006  4.6657 -0.3978577     6.167253 
1 1 1 10 19 0  o 26.581  10.174 1157.73   510.586  0.0000    0.0000   1157.73   510.586  26.581  10.174 26.581  10.174 0.000000       0.000000 
1 1 1 10 19 1  o 12.293  2.9920 158.437   89.530   194.082   130.987  127.185   122.652  13.213  4.3122 11.373  4.1489 1.839720       5.983960 
1 1 1 10 19 2  o 11.272  2.8311 116.987   81.315   190.236   126.199  64.986    106.330  13.054  4.2311 9.4905  3.7629 3.563053       5.662267 
1 1 1 10 19 3  o 33.643  12.112 2501.80   1040.58  2501.80   1040.58  0.0000    0.0000   33.643  12.112 ?       ?      ?              ?        
1 1 1 10 19 4  o 19.572  6.2569 493.663   276.703  493.663   276.703  0.0000    0.0000   19.572  6.2569 ?       ?      ?              ?        
1 1 1 10 19 5  o 25.458  7.6694 905.421   422.695  905.421   422.695  0.0000    0.0000   25.458  7.6694 ?       ?      ?              ?        
1 1 1 10 19 6  o 16.045  5.5925 303.901   220.364  303.901   220.364  0.0000    0.0000   16.045  5.5925 ?       ?      ?              ?        
1 1 1 10 19 7  o 15.357  5.4862 293.960   213.086  293.960   213.086  0.0000    0.0000   15.357  5.4862 ?       ?      ?              ?        
1 1 1 10 19 8  o 20.869  6.9583 644.011   340.399  644.011   340.399  0.0000    0.0000   20.869  6.9583 ?       ?      ?              ?        
1 1 1 10 19 9  o 21.945  8.4227 1113.39   518.824  1113.39   518.824  0.0000    0.0000   21.945  8.4227 ?       ?      ?              ?        
1 1 1 10 19 10 f 12.641  5.3070 216.295   226.797  216.295   226.797  0.0000    0.0000   12.641  5.3070 ?       ?      ?              ?        
1 1 1 10 19 11 o 8.9154  4.2292 -28.1311  202.879  -28.1311  202.879  0.0000    0.0000   8.9154  4.2292 ?       ?      ?              ?        
1 1 1 10 19 12 o 11.657  3.6829 315.239   185.916  434.758   245.007  153.003   285.453  13.121  5.5125 10.194  4.8853 2.927119       7.365705 
1 1 1 10 19 13 o 10.557  3.4063 88.974    124.155  -81.6729  138.005  813.417   284.347  6.5632  3.2042 14.552  6.0119 -7.988442      6.812511 
1 1 1 10 20 0  o 37.080  20.086 5180.45   2087.41  0.0000    0.0000   5180.45   2087.41  37.080  20.086 37.080  20.086 0.000000       0.000000 
1 1 1 10 20 1  o 31.806  8.0680 2210.70   652.976  2145.50   926.478  2275.05   920.447  31.144  11.396 32.469  11.423 -1.325089      16.13590 
1 1 1 10 20 2  o 25.287  5.3886 943.972   304.042  728.372   432.717  1154.20   427.294  21.999  7.8224 28.575  7.4133 -6.575480      10.77714 
1 1 1 10 20 3  o 30.200  6.7019 1480.94   450.844  1467.29   641.645  1494.25   633.611  29.963  9.5226 30.438  9.4331 -0.4750347     13.40387 
1 1 1 10 20 4  o 22.478  6.9244 686.982   341.995  686.982   341.995  0.0000    0.0000   22.478  6.9244 ?       ?      ?              ?        
1 1 1 10 20 5  o 22.733  7.1073 719.222   358.793  719.222   358.793  0.0000    0.0000   22.733  7.1073 ?       ?      ?              ?        
1 1 1 10 20 6  o 26.399  9.1322 1321.45   587.069  1321.45   587.069  0.0000    0.0000   26.399  9.1322 ?       ?      ?              ?        
1 1 1 10 20 7  o 21.129  6.9664 658.620   341.547  658.620   341.547  0.0000    0.0000   21.129  6.9664 ?       ?      ?              ?        
1 1 1 10 20 8  o 19.724  7.1760 708.695   366.573  708.695   366.573  0.0000    0.0000   19.724  7.1760 ?       ?      ?              ?        
1 1 1 10 20 9  o 13.074  5.4066 265.102   230.276  265.102   230.276  0.0000    0.0000   13.074  5.4066 ?       ?      ?              ?        
1 1 1 10 20 10 o 6.9958  3.5101 -410.5634 213.695  -410.5634 213.695  0.0000    0.0000   6.9958  3.5101 ?       ?      ?              ?        
1 1 1 10 20 11 o 10.736  4.8927 274.111   231.918  274.111   231.918  0.0000    0.0000   10.736  4.8927 ?       ?      ?              ?        
1 1 1 10 20 12 o 8.6918  4.2742 183.769   259.501  183.769   259.501  0.0000    0.0000   8.6918  4.2742 ?       ?      ?              ?        
1 1 1 10 21 0  o 5.1932  3.4383 -17.3902  93.591   0.0000    0.0000   -17.3902  93.591   5.1932  3.4383 5.1932  3.4383 0.000000       0.000000 
1 1 1 10 21 1  o 16.335  3.6760 318.801   135.176  336.035   194.239  302.616   188.238  16.709  5.2303 15.961  5.1668 0.7478571      7.351977 
1 1 1 10 21 2  o 11.649  2.9542 120.210   90.549   213.848   138.111  49.615    119.919  13.763  4.4226 9.5342  3.9178 4.229222       5.908334 
1 1 1 10 21 3  o 12.086  4.5357 142.655   148.434  142.655   148.434  0.0000    0.0000   12.086  4.5357 ?       ?      ?              ?        
1 1 1 10 21 4  o 13.231  4.9288 195.908   174.643  195.908   174.643  0.0000    0.0000   13.231  4.9288 ?       ?      ?              ?        
1 1 1 10 21 5  o 21.553  7.3121 734.133   375.925  734.133   375.925  0.0000    0.0000   21.553  7.3121 ?       ?      ?              ?        
1 1 1 10 21 6  o 25.228  8.9229 1242.90   562.332  1242.90   562.332  0.0000    0.0000   25.228  8.9229 ?       ?      ?              ?        
1 1 1 10 21 7  o 19.851  7.2913 734.516   379.744  734.516   379.744  0.0000    0.0000   19.851  7.2913 ?       ?      ?              ?        
1 1 1 10 21 8  o 15.199  6.0805 450.096   280.045  450.096   280.045  0.0000    0.0000   15.199  6.0805 ?       ?      ?              ?        
1 1 1 10 21 9  o 14.658  6.0834 459.691   293.046  459.691   293.046  0.0000    0.0000   14.658  6.0834 ?       ?      ?              ?        
1 1 1 10 21 10 o 11.984  5.4404 387.074   283.285  387.074   283.285  0.0000    0.0000   11.984  5.4404 ?       ?      ?              ?        
1 1 1 10 21 11 o 9.8451  4.6767 192.226   249.770  192.226   249.770  0.0000    0.0000   9.8451  4.6767 ?       ?      ?              ?        
1 1 1 10 22 0  o 9.3988  5.0508 143.484   131.008  0.0000    0.0000   143.484   131.008  9.3988  5.0508 9.3988  5.0508 0.000000       0.000000 
1 1 1 10 22 1  f 12.846  2.9781 180.637   98.798   47.271    146.943  290.667   133.470  10.019  4.2422 15.673  4.1809 -5.653959      5.956177 
1 1 1 10 22 2  o 25.621  5.9980 1139.20   357.978  1119.82   506.439  1158.55   506.075  25.353  8.4876 25.889  8.4772 -0.5362225     11.99592 
1 1 1 10 22 3  o 26.621  8.4925 3310.18   958.431  3419.31   1360.12  3202.53   1350.78  27.031  12.127 26.211  11.892 0.8199787      16.98493 
1 1 1 10 22 4  o 25.283  8.5731 1124.52   516.764  1124.52   516.764  0.0000    0.0000   25.283  8.5731 ?       ?      ?              ?        
1 1 1 10 22 5  o 21.245  8.5019 1208.92   547.667  1208.92   547.667  0.0000    0.0000   21.245  8.5019 ?       ?      ?              ?        
1 1 1 10 22 6  o 7.8983  3.7286 -90.6684  154.124  -90.6684  154.124  0.0000    0.0000   7.8983  3.7286 ?       ?      ?              ?        
1 1 1 10 22 7  o 16.220  6.4291 526.259   310.308  526.259   310.308  0.0000    0.0000   16.220  6.4291 ?       ?      ?              ?        
1 1 1 10 22 8  o 13.339  5.6637 332.700   263.065  332.700   263.065  0.0000    0.0000   13.339  5.6637 ?       ?      ?              ?        
1 1 1 10 22 9  o 11.896  5.3145 325.652   258.267  325.652   258.267  0.0000    0.0000   11.896  5.3145 ?       ?      ?              ?        
1 1 1 10 22 10 o 11.497  5.2768 340.279   276.196  340.279   276.196  0.0000    0.0000   11.497  5.2768 ?       ?      ?              ?        
1 1 1 10 22 11 o 10.049  4.8332 327.706   285.130  327.706   285.130  0.0000    0.0000   10.049  4.8332 ?       ?      ?              ?        
1 1 1 10 23 0  o 15.473  6.8785 397.217   225.204  0.0000    0.0000   397.217   225.204  15.473  6.8785 15.473  6.8785 0.000000       0.000000 
1 1 1 10 23 1  o 16.973  3.8813 371.054   158.737  514.488   224.029  226.436   224.951  19.846  5.4689 14.101  5.5091 5.745028       7.762663 
1 1 1 10 23 2  o 17.659  4.1912 445.775   175.771  528.690   256.714  372.598   241.169  19.063  6.0196 16.256  5.8334 2.806906       8.382343 
1 1 1 10 23 3  o 21.395  9.2836 1717.84   736.334  1717.84   736.334  0.0000    0.0000   21.395  9.2836 ?       ?      ?              ?        
1 1 1 10 23 4  o 6.9693  3.3181 -115.6834 127.135  -115.6834 127.135  0.0000    0.0000   6.9693  3.3181 ?       ?      ?              ?        
1 1 1 10 23 5  o 7.4531  3.5461 -86.4345  144.719  -86.4345  144.719  0.0000    0.0000   7.4531  3.5461 ?       ?      ?              ?        
1 1 1 10 23 6  o 8.3098  3.8919 -66.6548  162.173  -66.6548  162.173  0.0000    0.0000   8.3098  3.8919 ?       ?      ?              ?        
1 1 1 10 23 7  o 15.677  6.5621 609.502   345.158  609.502   345.158  0.0000    0.0000   15.677  6.5621 ?       ?      ?              ?        
1 1 1 10 23 8  o 13.776  6.5798 1049.19   508.462  1049.19   508.462  0.0000    0.0000   13.776  6.5798 ?       ?      ?              ?        
1 1 1 10 23 9  o 13.255  6.2349 782.613   423.912  782.613   423.912  0.0000    0.0000   13.255  6.2349 ?       ?      ?              ?        
1 1 1 10 23 10 o 9.3194  4.4947 216.687   250.622  216.687   250.622  0.0000    0.0000   9.3194  4.4947 ?       ?      ?              ?        
1 1 1 10 24 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 10 24 1  o 7.2290  2.2942 -17.2124  71.804   -104.3977 117.095  35.329    90.901   6.6016  3.1544 7.8564  3.3322 -1.254858      4.588414 
1 1 1 10 24 2  o 17.747  5.2681 984.969   319.210  1143.14   457.465  834.874   445.631  19.122  7.7285 16.373  7.1612 2.749350       10.53628 
1 1 1 10 24 3  o 16.606  6.6989 656.812   342.990  656.812   342.990  0.0000    0.0000   16.606  6.6989 ?       ?      ?              ?        
1 1 1 10 24 4  o 10.478  4.5868 81.726    183.152  81.726    183.152  0.0000    0.0000   10.478  4.5868 ?       ?      ?              ?        
1 1 1 10 24 5  o 11.936  5.1388 213.131   222.081  213.131   222.081  0.0000    0.0000   11.936  5.1388 ?       ?      ?              ?        
1 1 1 10 24 6  o 6.6764  3.3314 -304.7047 180.677  -304.7047 180.677  0.0000    0.0000   6.6764  3.3314 ?       ?      ?              ?        
1 1 1 10 24 7  o 8.1069  3.9172 -31.5235  192.497  -31.5235  192.497  0.0000    0.0000   8.1069  3.9172 ?       ?      ?              ?        
1 1 1 10 24 8  o 7.5987  3.7504 -150.9086 206.072  -150.9086 206.072  0.0000    0.0000   7.5987  3.7504 ?       ?      ?              ?        
1 1 1 10 24 9  o 7.6868  3.8193 -55.6050  227.253  -55.6050  227.253  0.0000    0.0000   7.6868  3.8193 ?       ?      ?              ?        
1 1 1 10 25 0  o 17.180  8.2919 651.815   331.063  0.0000    0.0000   651.815   331.063  17.180  8.2919 17.180  8.2919 0.000000       0.000000 
1 1 1 10 25 1  o 18.879  5.4042 976.715   318.734  1081.63   453.372  874.188   448.188  19.945  7.8132 17.813  7.4682 2.132786       10.80831 
1 1 1 10 25 2  o 13.909  3.7053 323.803   142.476  276.849   212.388  362.222   192.117  12.999  5.2617 14.819  5.2183 -1.820112      7.410499 
1 1 1 10 25 3  o 19.557  5.6705 652.945   234.717  652.945   234.717  0.0000    0.0000   19.557  5.6705 ?       ?      ?              ?        
1 1 1 10 25 4  o 7.7708  3.3188 40.762    91.296   40.762    91.296   0.0000    0.0000   7.7708  3.3188 ?       ?      ?              ?        
1 1 1 10 25 5  o 9.2628  4.2719 72.670    184.030  72.670    184.030  0.0000    0.0000   9.2628  4.2719 ?       ?      ?              ?        
1 1 1 10 25 6  o 10.637  4.8618 248.859   231.120  248.859   231.120  0.0000    0.0000   10.637  4.8618 ?       ?      ?              ?        
1 1 1 10 25 7  o 9.2690  4.4007 134.407   220.576  134.407   220.576  0.0000    0.0000   9.2690  4.4007 ?       ?      ?              ?        
1 1 1 10 25 8  o 8.2388  4.0800 3.5576    251.264  3.5576    251.264  0.0000    0.0000   8.2388  4.0800 ?       ?      ?              ?        
1 1 1 10 26 0  o 5.5238  3.7601 -25.6874  127.148  0.0000    0.0000   -25.6874  127.148  5.5238  3.7601 5.5238  3.7601 0.000000       0.000000 
1 1 1 10 26 1  o 9.6998  2.9848 111.717   106.679  125.895   168.844  102.297   137.629  9.9772  4.3848 9.4224  4.0509 0.5548306      5.969588 
1 1 1 10 26 2  o 8.2751  3.4777 68.066    97.564   68.066    97.564   0.0000    0.0000   8.2751  3.4777 ?       ?      ?              ?        
1 1 1 10 26 3  o 14.537  5.3178 473.384   201.706  473.384   201.706  0.0000    0.0000   14.537  5.3178 ?       ?      ?              ?        
1 1 1 10 26 4  o 9.7761  3.9203 147.186   116.708  147.186   116.708  0.0000    0.0000   9.7761  3.9203 ?       ?      ?              ?        
1 1 1 10 26 5  o 9.7367  4.4987 139.625   205.480  139.625   205.480  0.0000    0.0000   9.7367  4.4987 ?       ?      ?              ?        
1 1 1 10 26 6  o 9.4628  4.5673 323.920   259.938  323.920   259.938  0.0000    0.0000   9.4628  4.5673 ?       ?      ?              ?        
1 1 1 10 27 0  o 8.4372  5.1953 153.220   170.743  0.0000    0.0000   153.220   170.743  8.4372  5.1953 8.4372  5.1953 0.000000       0.000000 
1 1 1 10 27 1  o 13.928  3.6924 427.726   147.314  469.014   185.008  356.195   243.513  15.654  5.1256 12.202  5.3164 3.451712       7.384846 
1 1 1 10 27 2  o 12.879  4.7517 320.979   161.548  320.979   161.548  0.0000    0.0000   12.879  4.7517 ?       ?      ?              ?        
1 1 1 10 27 3  o 9.9952  4.6647 245.851   229.607  245.851   229.607  0.0000    0.0000   9.9952  4.6647 ?       ?      ?              ?        
1 1 1 10 27 4  o 7.0778  3.2178 44.868    99.553   44.868    99.553   0.0000    0.0000   7.0778  3.2178 ?       ?      ?              ?        
1 1 1 10 27 5  o 9.1475  4.3366 159.517   212.667  159.517   212.667  0.0000    0.0000   9.1475  4.3366 ?       ?      ?              ?        
1 1 1 10 28 0  o 4.9641  2.4704 -67.9581  95.931   -61.2032  134.982  -74.8518  136.362  5.0084  3.5166 4.9197  3.4705 0.000000       0.000000 
1 1 1 10 28 1  o 10.188  4.2198 210.978   140.608  210.978   140.608  0.0000    0.0000   10.188  4.2198 ?       ?      ?              ?        
1 1 1 11 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 1  2  o 93.224  23.130 10798.86  4291.87  0.0000    0.0000   10798.86  4291.87  ?       ?      93.224  23.130 ?              ?        
1 1 1 11 1  3  o 108.914 20.438 16163.93  4525.81  16115.55  6394.64  16212.48  6406.31  108.740 28.906 109.088 28.901 -0.3488541     40.87617 
1 1 1 11 1  4  o 59.323  9.7431 3946.12   1133.93  3892.04   1604.59  4000.07   1602.65  58.880  13.857 59.766  13.700 -0.8869629     19.48612 
1 1 1 11 1  5  o 43.466  7.3088 2124.53   626.235  2202.93   888.449  2047.11   882.837  44.314  10.232 42.618  10.440 1.695499       14.61770 
1 1 1 11 1  6  o 56.520  10.032 3960.07   1137.57  3496.16   1608.88  4423.85   1608.65  52.714  14.704 60.325  13.652 -7.611065      20.06460 
1 1 1 11 1  7  o 66.943  16.918 10169.56  2868.34  10470.16  4052.68  9867.85   4060.23  68.330  23.974 65.556  23.877 2.773949       33.83598 
1 1 1 11 1  8  o 19.241  3.4370 381.165   125.552  487.148   223.527  332.318   151.751  20.978  5.3199 17.503  4.3531 3.475054       6.873942 
1 1 1 11 1  9  o 31.335  4.8764 1076.34   285.410  1440.50   496.724  896.862   348.723  34.816  7.3636 27.854  6.3949 6.961851       9.752828 
1 1 1 11 1  10 o 21.484  3.2584 517.513   135.823  530.699   192.330  504.395   191.836  21.785  4.5605 21.183  4.6550 0.6019707      6.516703 
1 1 1 11 1  11 o 21.932  3.4388 558.489   146.901  549.492   208.160  567.416   207.342  21.726  4.9066 22.139  4.8196 -0.4127884     6.877693 
1 1 1 11 1  12 o 38.945  5.9873 2144.80   453.056  2125.36   640.063  2164.32   641.375  38.713  8.4996 39.177  8.4350 -0.4642601     11.97468 
1 1 1 11 1  13 o 29.489  4.4399 1106.72   253.870  1152.89   359.052  1060.57   359.001  30.266  6.1415 28.712  6.4135 1.553812       8.879817 
1 1 1 11 1  14 o 21.268  4.3127 570.887   185.620  443.361   226.602  830.972   323.611  18.298  5.6364 24.239  6.5291 -5.941097      8.625446 
1 1 1 11 1  15 o 16.276  4.3119 486.018   178.615  355.953   215.280  773.341   319.969  14.117  5.4237 18.435  6.7047 -4.318652      8.623818 
1 1 1 11 1  16 o 8.5635  2.8233 -41.6686  115.855  -149.7316 148.241  127.917   185.706  6.8479  3.3383 10.279  4.5542 -3.431184      5.646682 
1 1 1 11 1  17 o 10.989  3.5348 343.170   160.702  244.372   195.919  546.321   280.940  10.103  4.5612 11.875  5.4014 -1.772685      7.069671 
1 1 1 11 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 2  2  o 80.151  19.128 7566.84   3023.55  0.0000    0.0000   7566.84   3023.55  ?       ?      80.151  19.128 ?              ?        
1 1 1 11 2  3  o 99.640  25.376 12779.89  5070.77  0.0000    0.0000   12779.89  5070.77  ?       ?      99.640  25.376 ?              ?        
1 1 1 11 2  4  o 56.976  9.3418 3619.88   1043.84  3644.94   1472.22  3594.53   1480.25  57.202  13.145 56.749  13.278 0.4522057      18.68366 
1 1 1 11 2  5  o 76.104  15.069 8454.12   2387.03  8120.30   3377.02  8787.44   3374.51  74.208  21.507 78.001  21.115 -3.792297      30.13900 
1 1 1 11 2  6  o 47.048  8.1698 2605.31   763.402  2516.30   1082.97  2693.22   1076.29  46.144  11.714 47.952  11.391 -1.807541      16.33952 
1 1 1 11 2  7  o 21.866  4.1974 523.891   188.363  500.873   265.575  547.193   267.203  21.398  5.9761 22.333  5.8956 -0.9347534     8.394739 
1 1 1 11 2  8  o 24.000  3.8606 600.645   172.776  761.440   303.975  523.906   209.995  26.101  5.9547 21.899  4.9152 4.201799       7.721228 
1 1 1 11 2  9  o 26.486  4.2874 811.561   217.443  707.681   374.487  864.397   267.076  24.453  7.1834 28.518  4.6825 -4.065004      8.574853 
1 1 1 11 2  10 o 18.072  2.8528 362.564   101.049  291.518   142.562  434.296   143.249  16.155  4.3260 19.989  3.7201 -3.834049      5.705523 
1 1 1 11 2  11 o 34.057  4.9155 1485.17   323.478  1577.08   457.918  1393.61   457.018  35.398  6.7137 32.716  7.1816 2.682491       9.831044 
1 1 1 11 2  12 o 32.222  4.5353 1283.00   286.568  1444.05   406.815  1124.38   403.738  34.949  5.8201 29.494  6.9571 5.455141       9.070580 
1 1 1 11 2  13 o 24.084  3.8199 703.456   179.517  737.427   255.612  670.393   252.173  24.736  5.3243 23.432  5.4789 1.304293       7.639825 
1 1 1 11 2  14 o 26.361  4.5433 957.589   238.064  873.081   337.945  1040.84   335.417  24.830  6.6654 27.892  6.1758 -3.062544      9.086684 
1 1 1 11 2  15 o 11.702  3.2445 194.366   112.474  146.548   162.089  238.772   156.198  10.805  4.5077 12.600  4.6676 -1.794146      6.488913 
1 1 1 11 2  16 o 10.302  3.2192 126.384   125.046  86.213    155.518  199.855   210.322  9.4325  4.1740 11.172  4.9021 -1.739068      6.438397 
1 1 1 11 2  17 o 10.613  3.4786 386.100   176.565  363.020   213.449  436.117   314.223  10.966  4.8693 10.261  4.9691 0.7048597      6.957159 
1 1 1 11 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 3  3  o 51.350  11.786 2886.80   1184.74  0.0000    0.0000   2886.80   1184.74  ?       ?      51.350  11.786 ?              ?        
1 1 1 11 3  4  o 45.895  7.5087 2296.94   675.672  2349.89   954.538  2243.77   956.556  46.458  10.518 45.333  10.719 1.124653       15.01744 
1 1 1 11 3  5  o 38.727  6.5791 1670.81   503.324  1719.77   708.021  1620.80   715.656  39.349  9.1669 38.104  9.4395 1.244930       13.15811 
1 1 1 11 3  6  o 27.308  4.8519 813.583   264.700  834.352   374.306  792.806   374.377  27.663  6.8109 26.954  6.9118 0.7088089      9.703717 
1 1 1 11 3  7  f 34.650  6.2963 1432.11   438.700  1442.18   621.556  1422.12   619.282  34.776  8.8996 34.525  8.9089 0.2509575      12.59254 
1 1 1 11 3  8  f 29.453  4.7818 1109.15   286.049  488.783   496.413  1417.54   349.999  22.124  8.2963 36.783  4.7576 -14.65945      9.563639 
1 1 1 11 3  9  o 29.575  4.7497 1182.52   293.859  422.503   510.882  1558.31   359.235  20.886  8.2585 38.264  4.6942 -17.37819      9.499397 
1 1 1 11 3  10 o 20.347  3.7771 486.159   149.288  443.230   269.669  505.130   179.264  19.373  6.1751 21.321  4.3512 -1.948729      7.554145 
1 1 1 11 3  11 o 33.280  4.7721 1399.14   306.717  1459.07   432.505  1338.50   435.034  34.214  6.5593 32.347  6.9329 1.867035       9.544135 
1 1 1 11 3  12 o 20.563  3.5290 495.997   143.678  481.804   202.287  510.446   204.110  20.244  5.0207 20.883  4.9606 -0.6385288     7.057982 
1 1 1 11 3  13 o 17.856  3.3000 375.060   119.370  347.508   168.894  402.561   168.736  17.156  4.7567 18.557  4.5754 -1.400839      6.600054 
1 1 1 11 3  14 o 18.893  3.6086 447.370   139.667  430.514   200.169  463.362   194.971  18.469  5.1989 19.316  5.0058 -0.8471279     7.217122 
1 1 1 11 3  15 o 16.043  3.6356 409.463   132.263  446.161   190.808  375.521   183.503  16.753  5.1740 15.332  5.1088 1.420545       7.271161 
1 1 1 11 3  16 o 13.874  3.7845 391.948   148.980  415.626   210.421  368.148   210.959  14.298  5.3933 13.451  5.3106 0.8469276      7.569060 
1 1 1 11 3  17 o 7.4373  2.5810 -14.4741  127.800  -63.0185  165.837  56.515    200.542  6.9106  3.4019 7.9640  3.8824 -1.053395      5.161967 
1 1 1 11 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 4  4  o 50.899  11.921 2905.00   1192.26  0.0000    0.0000   2905.00   1192.26  ?       ?      50.899  11.921 ?              ?        
1 1 1 11 4  5  f 60.137  10.644 4455.36   1277.75  4620.13   1805.04  4289.87   1809.00  61.429  14.855 58.845  15.247 2.584415       21.28714 
1 1 1 11 4  6  o 44.411  7.7531 2331.16   684.572  2287.11   964.323  2375.92   971.983  43.963  10.996 44.860  10.933 -0.8970795     15.50613 
1 1 1 11 4  7  o 39.284  5.6968 1694.29   416.543  2358.19   722.626  1363.92   509.754  44.486  8.4306 34.082  7.6642 10.40335       11.39363 
1 1 1 11 4  8  o 27.206  4.4648 838.845   228.330  781.052   397.623  867.278   278.897  26.089  7.3216 28.322  5.1118 -2.232527      8.929539 
1 1 1 11 4  9  o 34.587  5.5012 1392.56   354.749  1725.79   619.561  1230.02   432.702  36.925  8.5567 32.249  6.9162 4.676147       11.00231 
1 1 1 11 4  10 o 23.309  3.3372 606.012   150.240  605.107   212.294  606.920   212.650  23.292  4.7189 23.327  4.7201 -0.3517342E-01 6.674372 
1 1 1 11 4  11 o 24.803  3.6397 719.719   174.637  741.677   246.583  697.621   247.367  25.253  5.0586 24.353  5.2345 0.8997059      7.279411 
1 1 1 11 4  12 o 25.834  3.8326 808.148   191.859  908.995   273.223  710.048   269.476  27.715  5.1176 23.953  5.7065 3.762787       7.665129 
1 1 1 11 4  13 o 29.972  4.4809 1156.51   260.256  1228.70   366.536  1083.12   369.598  31.212  6.0903 28.732  6.5743 2.480648       8.961756 
1 1 1 11 4  14 o 12.170  2.9846 155.203   93.341   246.744   136.035  73.761    128.312  14.318  4.3593 10.022  4.0777 4.296584       5.969142 
1 1 1 11 4  15 o 13.177  3.3393 250.187   113.698  204.396   169.719  287.469   153.143  12.197  4.7797 14.158  4.6647 -1.961109      6.678644 
1 1 1 11 4  16 f 8.9347  2.7810 52.079    104.489  161.620   140.501  -83.4766  156.297  10.429  4.2578 7.4408  3.5788 2.987679       5.562026 
1 1 1 11 4  17 o 8.0015  2.7863 57.115    148.244  -0.5875   182.430  169.290   254.359  7.4117  3.6323 8.5913  4.2261 -1.179587      5.572566 
1 1 1 11 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 5  4  o 55.066  13.447 3603.78   1468.10  0.0000    0.0000   3603.78   1468.10  ?       ?      55.066  13.447 ?              ?        
1 1 1 11 5  5  o 46.817  11.313 2535.78   1047.45  0.0000    0.0000   2535.78   1047.45  ?       ?      46.817  11.313 ?              ?        
1 1 1 11 5  6  o 65.109  13.424 6557.48   1857.02  6317.16   2622.00  6799.35   2630.48  63.613  19.087 66.605  18.881 -2.991821      26.84803 
1 1 1 11 5  7  f 19.741  3.4534 419.286   129.454  461.994   226.740  398.633   157.679  20.321  5.4616 19.162  4.2278 1.159115       6.906793 
1 1 1 11 5  8  o 24.572  4.6989 697.630   239.997  850.687   341.904  548.961   336.966  27.240  6.3866 21.903  6.8942 5.337294       9.397809 
1 1 1 11 5  9  o 40.173  6.7302 2092.31   509.781  2318.36   885.760  1980.35   623.370  40.279  10.782 40.067  8.0584 0.2123032      13.46046 
1 1 1 11 5  10 o 23.540  3.4270 622.960   155.945  626.494   222.739  619.563   218.404  23.589  4.8821 23.491  4.8106 0.9828186E-01  6.853928 
1 1 1 11 5  11 o 17.776  3.0104 359.357   105.957  411.011   152.878  311.607   146.987  19.074  4.1274 16.478  4.3835 2.595232       6.020883 
1 1 1 11 5  12 o 22.214  3.4831 589.631   150.658  580.682   216.017  598.106   210.227  21.972  5.0249 22.456  4.8247 -0.4840183     6.966162 
1 1 1 11 5  13 o 17.417  3.1953 371.497   116.970  485.735   161.493  245.431   169.648  20.468  4.0880 14.365  4.9119 6.103798       6.390501 
1 1 1 11 5  14 f 13.680  3.0685 240.519   100.356  141.269   156.418  309.956   130.833  11.532  4.5665 15.828  4.1000 -4.296810      6.137033 
1 1 1 11 5  15 o 9.9922  2.8064 90.055    93.123   -43.2776  149.346  174.872   119.115  8.2576  3.8223 11.727  4.1103 -3.469144      5.612896 
1 1 1 11 5  16 o 12.997  3.2647 276.427   126.313  543.220   187.548  54.945    170.881  17.175  5.0939 8.8194  4.0846 8.355232       6.529316 
1 1 1 11 5  17 f 8.4390  2.8640 107.521   140.253  126.643   183.770  80.846    217.053  8.5827  4.0577 8.2954  4.0429 0.2873564      5.728025 
1 1 1 11 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 6  5  f 47.404  11.658 2662.70   1097.60  0.0000    0.0000   2662.70   1097.60  ?       ?      47.404  11.658 ?              ?        
1 1 1 11 6  6  o 31.136  7.9434 1107.44   496.250  0.0000    0.0000   1107.44   496.250  ?       ?      31.136  7.9434 ?              ?        
1 1 1 11 6  7  o 27.106  4.0670 755.429   206.103  1080.51   357.564  593.679   252.219  31.127  5.9607 23.084  5.5347 8.042553       8.134083 
1 1 1 11 6  8  o 11.782  2.8439 142.151   80.847   61.575    149.674  175.345   96.067   10.797  4.3999 12.766  3.6045 -1.968961      5.687814 
1 1 1 11 6  9  f 42.406  7.2367 2527.31   606.189  2140.73   1052.20  2719.37   741.635  36.899  12.230 47.913  7.7393 -11.01425      14.47338 
1 1 1 11 6  10 o 31.201  4.3272 1171.45   260.350  1218.87   369.322  1124.62   367.069  31.945  6.0009 30.457  6.2359 1.487926       8.654348 
1 1 1 11 6  11 o 31.154  4.4530 1224.03   272.339  1392.61   385.271  1055.66   385.021  34.112  5.6472 28.197  6.8867 5.915152       8.906074 
1 1 1 11 6  12 o 15.990  2.9001 285.719   95.422   387.858   140.728  198.794   129.824  18.600  3.9073 13.380  4.2867 5.219503       5.800236 
1 1 1 11 6  13 o 24.082  3.9017 746.616   184.349  669.754   261.025  823.107   260.394  22.533  5.7677 25.632  5.2560 -3.098305      7.803311 
1 1 1 11 6  14 o 8.1500  2.5485 -4.8034   83.373   -56.7129  115.850  50.965    120.079  7.2432  3.3576 9.0568  3.8349 -1.813590      5.097045 
1 1 1 11 6  15 o 18.417  3.8825 536.754   156.434  625.163   221.685  449.065   220.780  20.300  5.3754 16.534  5.6037 3.765564       7.765037 
1 1 1 11 6  16 o 10.719  3.3248 249.407   141.554  275.531   167.247  183.430   265.789  11.550  4.6713 9.8888  4.7325 1.661269       6.649680 
1 1 1 11 6  17 o 14.707  4.8034 1138.26   311.600  307.370   375.158  2986.52   559.534  9.5745  4.7812 19.839  8.3326 -10.26500      9.606846 
1 1 1 11 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 7  6  o 28.932  7.5817 986.479   444.008  0.0000    0.0000   986.479   444.008  ?       ?      28.932  7.5817 ?              ?        
1 1 1 11 7  7  o 67.292  14.031 6402.46   1827.20  0.0000    0.0000   6402.46   1827.20  ?       ?      67.292  14.031 ?              ?        
1 1 1 11 7  8  o 36.620  5.6172 1527.43   384.468  1995.52   663.155  1290.44   471.862  40.249  8.5045 32.991  7.3407 7.258186       11.23445 
1 1 1 11 7  9  o 22.212  3.7679 529.799   159.166  729.335   275.658  430.004   194.946  25.019  5.6434 19.405  4.9939 5.614140       7.535712 
1 1 1 11 7  10 o 18.172  3.6027 384.822   130.564  391.231   232.001  381.852   157.951  18.044  5.7251 18.300  4.3750 -0.2555542     7.205369 
1 1 1 11 7  11 o 19.516  3.2621 447.388   125.829  506.740   177.941  388.025   177.959  20.969  4.3841 18.063  4.8317 2.905092       6.524252 
1 1 1 11 7  12 o 14.692  2.8738 242.957   91.750   340.238   130.121  146.764   129.390  17.404  3.8411 11.981  4.2756 5.422661       5.747642 
1 1 1 11 7  13 o 36.153  6.5766 2304.90   481.207  2529.61   683.215  2083.69   677.873  38.877  8.9695 33.429  9.6204 5.447662       13.15312 
1 1 1 11 7  14 o 16.380  3.4043 358.672   120.966  415.870   166.914  295.398   175.555  17.929  4.6245 14.831  4.9970 3.098485       6.808564 
1 1 1 11 7  15 o 17.213  4.1612 628.321   201.027  739.178   243.107  388.620   357.481  21.000  5.6601 13.425  6.1012 7.574371       8.322348 
1 1 1 11 7  16 o 11.177  3.4894 282.141   154.990  295.027   186.609  253.482   278.291  11.767  4.8666 10.588  5.0019 1.179223       6.978710 
1 1 1 11 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 8  6  f 27.809  7.4761 917.493   424.785  0.0000    0.0000   917.493   424.785  ?       ?      27.809  7.4761 ?              ?        
1 1 1 11 8  7  o 29.341  5.5341 959.050   312.846  0.0000    0.0000   959.050   312.846  ?       ?      29.341  5.5341 ?              ?        
1 1 1 11 8  8  o 36.181  6.6379 1527.07   462.628  0.0000    0.0000   1527.07   462.628  ?       ?      36.181  6.6379 ?              ?        
1 1 1 11 8  9  o 20.797  3.4421 565.265   164.844  59.719    285.626  817.752   201.854  13.684  5.8580 27.911  3.6161 -14.22658      6.884208 
1 1 1 11 8  10 o 26.614  3.7078 831.232   192.362  1039.93   272.722  624.612   271.365  30.679  4.4448 22.550  5.9359 8.129015       7.415573 
1 1 1 11 8  11 o 10.732  2.5725 117.785   65.733   120.491   95.575   115.356   90.548   10.848  3.6869 10.616  3.5887 0.2315454      5.145088 
1 1 1 11 8  12 o 22.516  3.6302 612.269   160.935  499.903   228.606  722.671   226.599  20.116  5.5167 24.916  4.7201 -4.799496      7.260355 
1 1 1 11 8  13 o 22.123  3.5397 613.867   153.292  676.396   216.062  550.491   217.521  23.524  4.7560 20.723  5.2439 2.800371       7.079423 
1 1 1 11 8  14 o 12.559  3.3381 230.291   114.056  253.302   132.461  164.315   224.293  13.500  4.3305 11.619  5.0812 1.881141       6.676219 
1 1 1 11 8  15 o 13.578  3.4213 312.044   141.017  424.191   168.408  48.910    257.964  16.740  4.7885 10.416  4.8879 6.324033       6.842631 
1 1 1 11 8  16 o 8.3689  2.8238 -2.7350   117.713  -12.9162  136.841  26.238    230.839  7.6254  3.5725 9.1125  4.3740 -1.487129      5.647530 
1 1 1 11 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 9  7  o 39.223  7.0127 1796.34   529.932  0.0000    0.0000   1796.34   529.932  ?       ?      39.223  7.0127 ?              ?        
1 1 1 11 9  8  o 46.226  8.9857 2711.10   800.814  0.0000    0.0000   2711.10   800.814  ?       ?      46.226  8.9857 ?              ?        
1 1 1 11 9  9  o 24.483  5.1277 690.951   243.036  0.0000    0.0000   690.951   243.036  ?       ?      24.483  5.1277 ?              ?        
1 1 1 11 9  10 o 25.844  3.7524 796.237   187.484  879.523   265.962  713.970   264.331  27.431  5.0332 24.256  5.5667 3.175386       7.504787 
1 1 1 11 9  11 o 10.615  2.7522 99.990    79.980   162.320   113.090  37.618    113.129  12.166  4.0085 9.0641  3.7722 3.102211       5.504354 
1 1 1 11 9  12 o 21.313  3.5707 547.274   150.561  635.806   217.161  465.328   208.929  23.156  4.8448 19.471  5.2468 3.684561       7.141480 
1 1 1 11 9  13 o 19.226  3.9221 415.594   158.945  249.550   193.567  759.309   278.496  14.452  5.2212 24.000  5.8542 -9.547946      7.844221 
1 1 1 11 9  14 o 12.526  3.4882 207.508   118.453  145.437   140.443  360.494   220.486  10.748  4.3038 14.305  5.4907 -3.557845      6.976402 
1 1 1 11 9  15 o 13.573  3.7893 284.798   139.572  158.739   163.655  621.080   267.297  10.605  4.4830 16.542  6.1104 -5.937069      7.578514 
1 1 1 11 9  16 o 6.9102  2.4091 -118.8737 113.881  -150.2906 145.440  -69.0873  183.087  6.3349  3.1312 7.4855  3.6622 -1.150581      4.818259 
1 1 1 11 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 10 7  o 24.171  4.5612 640.565   212.414  0.0000    0.0000   640.565   212.414  ?       ?      24.171  4.5612 ?              ?        
1 1 1 11 10 8  o 19.365  4.6355 423.257   177.146  0.0000    0.0000   423.257   177.146  ?       ?      19.365  4.6355 ?              ?        
1 1 1 11 10 9  o 25.310  5.1695 750.475   252.837  0.0000    0.0000   750.475   252.837  ?       ?      25.310  5.1695 ?              ?        
1 1 1 11 10 10 o 19.805  3.5569 447.429   138.501  597.645   227.814  359.354   174.442  22.234  5.2135 17.376  4.8400 4.858028       7.113794 
1 1 1 11 10 11 o 35.993  5.2557 1722.26   365.890  1886.19   517.523  1558.43   517.370  38.265  7.0211 33.722  7.8226 4.542938       10.51144 
1 1 1 11 10 12 o 17.211  3.4361 414.923   139.699  530.425   164.137  111.340   266.103  21.441  3.9739 12.981  5.6067 8.460580       6.872176 
1 1 1 11 10 13 o 14.847  3.1387 332.611   117.233  417.770   133.955  53.966    242.309  18.566  3.7369 11.128  5.0440 7.437745       6.277465 
1 1 1 11 10 14 o 13.272  3.5288 252.790   125.869  274.039   145.478  189.522   251.028  14.126  4.5390 12.418  5.4044 1.708033       7.057655 
1 1 1 11 10 15 o 10.628  3.4037 173.081   139.141  129.878   160.104  306.421   281.268  9.7670  4.2817 11.488  5.2922 -1.721261      6.807311 
1 1 1 11 10 16 f 7.7808  2.6709 52.475    120.288  42.640    139.043  81.736    239.818  7.4248  3.5161 8.1367  4.0216 -0.7118969     5.341871 
1 1 1 11 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 11 8  o 18.020  5.7840 376.820   236.279  0.0000    0.0000   376.820   236.279  ?       ?      18.020  5.7840 ?              ?        
1 1 1 11 11 9  o 36.296  7.0833 1695.53   495.734  0.0000    0.0000   1695.53   495.734  ?       ?      36.296  7.0833 ?              ?        
1 1 1 11 11 10 o 36.839  7.0563 2383.03   726.307  4303.68   1023.75  436.592   1030.59  52.588  10.101 21.089  9.8559 31.49896       14.11251 
1 1 1 11 11 11 o 23.816  5.2533 801.010   277.695  707.373   378.600  910.045   408.547  22.383  7.3324 25.249  7.5250 -2.866302      10.50667 
1 1 1 11 11 12 o 10.901  2.5594 127.409   80.616   215.205   94.028   -116.1931 156.625  13.724  3.4340 8.0766  3.7960 5.647782       5.118810 
1 1 1 11 11 13 o 8.0318  2.6487 -30.6676  85.397   -2.9586   93.232   -175.0578 212.825  7.3416  3.2411 8.7220  4.1901 -1.380387      5.297341 
1 1 1 11 11 14 o 15.131  3.8418 410.235   150.169  422.456   174.336  375.093   295.627  16.578  4.9099 13.685  5.9101 2.893098       7.683568 
1 1 1 11 11 15 o 8.7924  2.8386 88.557    111.205  121.792   128.999  -7.6050   219.427  9.1562  3.9287 8.4285  4.0982 0.7276859      5.677122 
1 1 1 11 11 16 o 10.463  3.4836 309.279   170.022  197.670   199.670  603.634   324.263  9.5067  4.4072 11.420  5.3962 -1.912905      6.967259 
1 1 1 11 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 12 9  o 11.115  4.5653 80.096    162.754  0.0000    0.0000   80.096    162.754  ?       ?      11.115  4.5653 ?              ?        
1 1 1 11 12 10 o 33.516  5.9311 1767.34   532.226  3092.20   745.615  391.054   759.952  47.476  7.8526 19.557  8.8909 27.91901       11.86213 
1 1 1 11 12 11 o 7.6607  2.4313 -18.6138  70.285   -8.3507   82.176   -46.5783  135.648  7.0033  3.0689 8.3181  3.7718 -1.314839      4.862533 
1 1 1 11 12 12 o 19.459  4.1026 526.886   198.120  758.068   259.161  201.795   307.323  24.416  5.4457 14.502  6.1375 9.914680       8.205118 
1 1 1 11 12 13 o 9.4717  2.7750 77.024    96.674   162.782   118.304  -95.3327  167.717  11.040  4.0674 7.9036  3.7761 3.136209       5.550068 
1 1 1 11 12 14 o 14.929  3.8337 338.066   141.308  205.907   169.151  643.349   257.086  11.729  4.7138 18.130  6.0472 -6.401211      7.667389 
1 1 1 11 12 15 o 11.025  3.0738 202.642   127.678  340.373   151.544  -134.2918 237.025  13.882  4.6429 8.1675  4.0295 5.714545       6.147644 
1 1 1 11 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 13 9  o 25.984  7.8266 946.341   440.225  0.0000    0.0000   946.341   440.225  ?       ?      25.984  7.8266 ?              ?        
1 1 1 11 13 10 o 12.933  2.7421 193.734   92.125   300.612   112.098  -28.6494  161.698  16.439  3.5159 9.4278  4.2089 7.011101       5.484222 
1 1 1 11 13 11 o 12.841  3.2432 128.193   112.163  4.0226    141.186  340.641   184.676  9.1769  4.0219 16.504  5.0890 -7.327218      6.486457 
1 1 1 11 13 12 o 15.889  3.9245 390.476   168.223  501.321   213.445  208.731   273.311  18.607  5.4110 13.172  5.6857 5.434963       7.848983 
1 1 1 11 13 13 o 7.4066  2.5019 -65.7735  85.033   -35.3395  93.375   -213.6349 205.815  6.7066  3.0745 8.1065  3.9478 -1.399929      5.003778 
1 1 1 11 13 14 o 10.445  3.2759 129.641   131.191  28.883    163.338  312.793   220.219  8.6302  3.9957 12.260  5.1924 -3.629512      6.551813 
1 1 1 11 13 15 o 9.3519  3.1206 201.982   137.024  154.785   154.577  375.114   296.059  8.9078  4.0339 9.7961  4.7625 -0.8883371     6.241295 
1 1 1 11 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 14 10 o 11.351  4.5633 103.432   158.567  0.0000    0.0000   103.432   158.567  ?       ?      11.351  4.5633 ?              ?        
1 1 1 11 14 11 o 26.012  4.4622 983.309   297.819  1662.87   408.425  211.693   435.209  36.412  5.6085 15.612  6.9419 20.79911       8.924389 
1 1 1 11 14 12 o 14.678  4.0360 387.638   171.626  406.627   218.216  356.842   277.895  15.420  5.5472 13.937  5.8639 1.482446       8.072028 
1 1 1 11 14 13 o 8.6241  2.8769 -143.2854 97.353   -234.8438 108.807  224.198   217.984  5.1731  2.5819 12.075  5.1420 -6.901992      5.753831 
1 1 1 11 14 14 o 7.6721  2.5449 0.3282    101.620  68.629    113.058  -286.9052 231.850  8.1628  3.5877 7.1814  3.6104 0.9813371      5.089856 
1 1 1 11 14 15 o 7.2127  2.5063 -64.9665  122.393  -1.3823   138.795  -287.3051 259.542  7.2670  3.4618 7.1584  3.6252 0.1085548      5.012593 
1 1 1 11 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 15 10 o 10.105  4.4831 0.3114    180.522  0.0000    0.0000   0.3114    180.522  ?       ?      10.105  4.4831 ?              ?        
1 1 1 11 15 11 o 18.003  3.4687 499.525   168.645  780.171   215.017  50.872    271.862  24.572  4.5426 11.434  5.2434 13.13753       6.937451 
1 1 1 11 15 12 o 16.680  4.0863 487.777   187.170  654.984   246.294  259.211   287.959  20.179  5.7965 13.182  5.7613 6.996747       8.172684 
1 1 1 11 15 13 o 9.7702  3.1569 9.1356    115.230  -88.3993  131.733  326.900   237.776  6.9224  3.3179 12.618  5.3717 -5.695617      6.313765 
1 1 1 11 15 14 o 9.8021  3.2616 110.398   144.553  17.222    170.155  352.037   274.016  8.2543  3.9031 11.350  5.2266 -3.095650      6.523139 
1 1 1 11 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 16 11 f 13.754  5.7814 352.220   269.724  0.0000    0.0000   352.220   269.724  ?       ?      13.754  5.7814 ?              ?        
1 1 1 11 16 12 o 18.956  4.4130 788.190   258.063  1287.93   350.336  195.353   381.574  25.885  6.7112 12.028  5.7324 13.85764       8.826095 
1 1 1 11 16 13 f 8.8263  2.9519 57.892    115.120  20.894    130.129  191.103   246.917  7.6935  3.5636 9.9591  4.7069 -2.265564      5.903742 
1 1 1 11 16 14 f 6.5426  2.3049 -93.6627  105.559  -53.7856  116.235  -281.3116 252.144  6.2157  3.0131 6.8696  3.4889 -0.6538944     4.609864 
1 1 1 11 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 1  o 19.629  5.7167 463.269   238.083  0.0000    0.0000   463.269   238.083  ?       ?      19.629  5.7167 ?              ?        
1 1 1 11 17 2  o 11.150  3.8414 126.504   103.826  0.0000    0.0000   126.504   103.826  ?       ?      11.150  3.8414 ?              ?        
1 1 1 11 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 17 11 o 10.202  4.6665 22.642    213.473  0.0000    0.0000   22.642    213.473  ?       ?      10.202  4.6665 ?              ?        
1 1 1 11 17 12 o 13.094  5.8531 443.091   313.788  0.0000    0.0000   443.091   313.788  ?       ?      13.094  5.8531 ?              ?        
1 1 1 11 17 13 o 12.285  3.9330 433.044   201.543  359.365   249.676  570.847   341.453  11.909  5.2784 12.661  5.8320 -0.7519798     7.865984 
1 1 1 11 18 0  o 8.1849  4.5188 99.791    107.783  0.0000    0.0000   99.791    107.783  8.1849  4.5188 8.1849  4.5188 0.000000       0.000000 
1 1 1 11 18 1  o 28.167  5.9558 1155.53   361.564  1131.19   513.519  1179.45   509.166  27.789  8.4717 28.545  8.3735 -0.7554588     11.91156 
1 1 1 11 18 2  o 25.359  5.3192 896.637   289.800  848.128   413.222  943.590   406.538  24.549  7.6195 26.169  7.4241 -1.619850      10.63834 
1 1 1 11 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 12 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 11 18 13 o 8.8965  2.9735 177.156   134.417  166.705   153.618  211.300   277.658  8.9401  4.0374 8.8530  4.3665 0.8712769E-01  5.946995 
1 1 1 11 19 0  o 12.220  5.6857 235.569   154.331  0.0000    0.0000   235.569   154.331  12.220  5.6857 12.220  5.6857 0.000000       0.000000 
1 1 1 11 19 1  o 30.830  6.9346 1595.06   483.514  1466.91   685.462  1721.96   682.136  29.271  9.8740 32.390  9.7395 -3.118565      13.86918 
1 1 1 11 19 2  o 8.2761  2.3337 41.404    58.982   4.9539    93.428   65.559    76.054   7.8064  3.3463 8.7457  3.2536 -0.9392762     4.667337 
1 1 1 11 19 3  o 19.735  6.1794 505.903   271.110  505.903   271.110  0.0000    0.0000   19.735  6.1794 ?       ?      ?              ?        
1 1 1 11 19 4  o 33.785  14.682 4547.97   1847.45  4547.97   1847.45  0.0000    0.0000   33.785  14.682 ?       ?      ?              ?        
1 1 1 11 19 5  o 32.341  12.600 2829.42   1174.12  2829.42   1174.12  0.0000    0.0000   32.341  12.600 ?       ?      ?              ?        
1 1 1 11 19 6  o 14.734  5.2716 259.423   196.815  259.423   196.815  0.0000    0.0000   14.734  5.2716 ?       ?      ?              ?        
1 1 1 11 19 7  o 7.9581  3.6713 -70.0757  136.077  -70.0757  136.077  0.0000    0.0000   7.9581  3.6713 ?       ?      ?              ?        
1 1 1 11 19 8  o 11.434  4.7712 125.523   181.672  125.523   181.672  0.0000    0.0000   11.434  4.7712 ?       ?      ?              ?        
1 1 1 11 19 9  o 14.683  5.8476 424.362   257.840  424.362   257.840  0.0000    0.0000   14.683  5.8476 ?       ?      ?              ?        
1 1 1 11 19 10 o 13.689  5.5462 332.089   236.206  332.089   236.206  0.0000    0.0000   13.689  5.5462 ?       ?      ?              ?        
1 1 1 11 19 11 o 13.867  6.1894 645.543   349.452  645.543   349.452  0.0000    0.0000   13.867  6.1894 ?       ?      ?              ?        
1 1 1 11 19 12 o 10.445  3.4179 252.204   177.493  356.553   230.224  99.299    278.687  11.575  5.1023 9.3152  4.5490 2.259384       6.835727 
1 1 1 11 20 0  o 6.9875  4.1588 59.431    101.878  0.0000    0.0000   59.431    101.878  6.9875  4.1588 6.9875  4.1588 0.000000       0.000000 
1 1 1 11 20 1  o 21.849  4.5500 613.057   212.592  579.872   303.078  645.201   298.282  21.213  6.5158 22.485  6.3524 -1.271954      9.099919 
1 1 1 11 20 2  o 21.367  4.4626 580.824   203.766  593.608   294.858  569.137   281.914  21.540  6.3868 21.194  6.2346 0.3465137      8.925272 
1 1 1 11 20 3  f 32.529  9.3490 3302.04   957.293  3063.27   1355.25  3539.80   1352.38  31.023  12.996 34.035  13.443 -3.012793      18.69794 
1 1 1 11 20 4  o 20.490  6.5693 557.059   304.858  557.059   304.858  0.0000    0.0000   20.490  6.5693 ?       ?      ?              ?        
1 1 1 11 20 5  o 26.793  12.426 3883.25   1589.09  3883.25   1589.09  0.0000    0.0000   26.793  12.426 ?       ?      ?              ?        
1 1 1 11 20 6  o 21.387  7.2471 723.406   369.269  723.406   369.269  0.0000    0.0000   21.387  7.2471 ?       ?      ?              ?        
1 1 1 11 20 7  o 17.829  6.5445 548.632   305.879  548.632   305.879  0.0000    0.0000   17.829  6.5445 ?       ?      ?              ?        
1 1 1 11 20 8  o 17.511  7.4086 923.491   447.572  923.491   447.572  0.0000    0.0000   17.511  7.4086 ?       ?      ?              ?        
1 1 1 11 20 9  o 11.233  4.8842 130.126   204.661  130.126   204.661  0.0000    0.0000   11.233  4.8842 ?       ?      ?              ?        
1 1 1 11 20 10 o 9.4947  4.4228 53.498    204.867  53.498    204.867  0.0000    0.0000   9.4947  4.4228 ?       ?      ?              ?        
1 1 1 11 20 11 o 9.2654  4.4119 53.364    224.951  53.364    224.951  0.0000    0.0000   9.2654  4.4119 ?       ?      ?              ?        
1 1 1 11 20 12 o 8.1164  4.0077 -0.8650   236.218  -0.8650   236.218  0.0000    0.0000   8.1164  4.0077 ?       ?      ?              ?        
1 1 1 11 21 0  o 27.882  10.904 1337.08   581.356  0.0000    0.0000   1337.08   581.356  27.882  10.904 27.882  10.904 0.000000       0.000000 
1 1 1 11 21 1  o 8.2309  2.4198 21.139    66.629   60.493    98.083   -12.5840  90.794   9.1542  3.6189 7.3076  3.2134 1.846640       4.839685 
1 1 1 11 21 2  o 10.023  2.7052 86.488    78.614   17.363    125.324  131.335   100.945  8.9747  3.8621 11.072  3.7889 -2.096841      5.410306 
1 1 1 11 21 3  o 20.381  4.5704 591.030   210.004  547.394   303.517  631.104   290.867  19.533  6.5705 21.228  6.3546 -1.694695      9.140726 
1 1 1 11 21 4  o 22.846  7.6768 852.895   414.324  852.895   414.324  0.0000    0.0000   22.846  7.6768 ?       ?      ?              ?        
1 1 1 11 21 5  o 28.626  11.744 2572.13   1075.52  2572.13   1075.52  0.0000    0.0000   28.626  11.744 ?       ?      ?              ?        
1 1 1 11 21 6  o 13.355  5.3214 240.308   213.630  240.308   213.630  0.0000    0.0000   13.355  5.3214 ?       ?      ?              ?        
1 1 1 11 21 7  o 16.426  8.1261 2332.82   987.311  2332.82   987.311  0.0000    0.0000   16.426  8.1261 ?       ?      ?              ?        
1 1 1 11 21 8  o 15.386  6.0776 425.565   276.421  425.565   276.421  0.0000    0.0000   15.386  6.0776 ?       ?      ?              ?        
1 1 1 11 21 9  o 10.318  4.5184 127.087   177.896  127.087   177.896  0.0000    0.0000   10.318  4.5184 ?       ?      ?              ?        
1 1 1 11 21 10 o 7.4479  3.6815 -144.4023 201.144  -144.4023 201.144  0.0000    0.0000   7.4479  3.6815 ?       ?      ?              ?        
1 1 1 11 21 11 o 8.8632  4.3443 223.093   261.254  223.093   261.254  0.0000    0.0000   8.8632  4.3443 ?       ?      ?              ?        
1 1 1 11 22 0  o 9.0318  5.0470 129.963   136.294  0.0000    0.0000   129.963   136.294  9.0318  5.0470 9.0318  5.0470 0.000000       0.000000 
1 1 1 11 22 1  o 21.795  4.9137 724.891   245.194  611.172   349.552  835.046   344.029  19.881  7.0347 23.710  6.8623 -3.829233      9.827452 
1 1 1 11 22 2  o 14.433  3.4651 241.750   122.559  348.120   182.795  154.883   165.189  16.588  5.0539 12.278  4.7419 4.309845       6.930210 
1 1 1 11 22 3  o 20.872  4.7168 626.854   222.862  598.491   328.909  650.929   303.028  20.240  6.8397 21.505  6.4971 -1.264759      9.433649 
1 1 1 11 22 4  o 21.980  9.1196 1504.46   658.301  1504.46   658.301  0.0000    0.0000   21.980  9.1196 ?       ?      ?              ?        
1 1 1 11 22 5  o 14.849  5.7597 318.322   244.530  318.322   244.530  0.0000    0.0000   14.849  5.7597 ?       ?      ?              ?        
1 1 1 11 22 6  o 17.276  8.0108 1472.94   660.171  1472.94   660.171  0.0000    0.0000   17.276  8.0108 ?       ?      ?              ?        
1 1 1 11 22 7  o 8.2049  3.9057 -99.3685  175.989  -99.3685  175.989  0.0000    0.0000   8.2049  3.9057 ?       ?      ?              ?        
1 1 1 11 22 8  o 12.439  5.4542 298.648   259.934  298.648   259.934  0.0000    0.0000   12.439  5.4542 ?       ?      ?              ?        
1 1 1 11 22 9  o 9.5270  4.3690 144.817   188.789  144.817   188.789  0.0000    0.0000   9.5270  4.3690 ?       ?      ?              ?        
1 1 1 11 22 10 o 10.485  5.1301 606.992   359.521  606.992   359.521  0.0000    0.0000   10.485  5.1301 ?       ?      ?              ?        
1 1 1 11 23 0  f 19.182  8.5954 742.601   351.565  0.0000    0.0000   742.601   351.565  19.182  8.5954 19.182  8.5954 0.000000       0.000000 
1 1 1 11 23 1  o 18.984  4.7908 661.594   229.753  652.024   326.842  670.942   323.032  18.795  6.7854 19.174  6.7649 -0.3791294     9.581515 
1 1 1 11 23 2  o 15.564  3.6677 330.524   143.951  183.607   207.439  466.988   199.924  12.689  5.1762 18.438  5.1977 -5.749792      7.335474 
1 1 1 11 23 3  o 14.621  3.7856 308.367   142.321  358.380   225.262  275.140   183.609  15.265  5.6144 13.977  5.0796 1.288157       7.571254 
1 1 1 11 23 4  o 6.8108  3.3480 -209.4882 158.739  -209.4882 158.739  0.0000    0.0000   6.8108  3.3480 ?       ?      ?              ?        
1 1 1 11 23 5  o 8.5008  3.9182 -31.6350  154.485  -31.6350  154.485  0.0000    0.0000   8.5008  3.9182 ?       ?      ?              ?        
1 1 1 11 23 6  o 16.597  7.0173 789.588   401.124  789.588   401.124  0.0000    0.0000   16.597  7.0173 ?       ?      ?              ?        
1 1 1 11 23 7  o 10.767  4.8559 169.766   221.316  169.766   221.316  0.0000    0.0000   10.767  4.8559 ?       ?      ?              ?        
1 1 1 11 23 8  o 9.2032  4.3897 97.010    224.695  97.010    224.695  0.0000    0.0000   9.2032  4.3897 ?       ?      ?              ?        
1 1 1 11 23 9  o 10.953  5.4666 961.336   487.494  961.336   487.494  0.0000    0.0000   10.953  5.4666 ?       ?      ?              ?        
1 1 1 11 24 0  o 3.7635  2.7028 -142.8206 97.637   0.0000    0.0000   -142.8206 97.637   3.7635  2.7028 3.7635  2.7028 0.000000       0.000000 
1 1 1 11 24 1  o 11.445  4.6157 176.283   162.787  176.283   162.787  0.0000    0.0000   11.445  4.6157 ?       ?      ?              ?        
1 1 1 11 24 2  o 17.236  4.5947 594.816   216.262  583.335   314.520  605.112   297.843  16.901  6.5388 17.570  6.4567 -0.6688766     9.189385 
1 1 1 11 24 3  o 16.100  6.0211 451.912   261.131  451.912   261.131  0.0000    0.0000   16.100  6.0211 ?       ?      ?              ?        
1 1 1 11 24 4  o 17.234  7.2578 885.333   426.361  885.333   426.361  0.0000    0.0000   17.234  7.2578 ?       ?      ?              ?        
1 1 1 11 24 5  o 14.508  6.1281 481.617   305.442  481.617   305.442  0.0000    0.0000   14.508  6.1281 ?       ?      ?              ?        
1 1 1 11 24 6  o 6.5478  3.3116 -440.3668 212.203  -440.3668 212.203  0.0000    0.0000   6.5478  3.3116 ?       ?      ?              ?        
1 1 1 11 24 7  o 10.285  4.7597 183.247   231.377  183.247   231.377  0.0000    0.0000   10.285  4.7597 ?       ?      ?              ?        
1 1 1 11 24 8  o 8.4555  4.1341 104.710   232.192  104.710   232.192  0.0000    0.0000   8.4555  4.1341 ?       ?      ?              ?        
1 1 1 11 25 0  o 5.9155  3.9174 3.6467    121.600  0.0000    0.0000   3.6467    121.600  5.9155  3.9174 5.9155  3.9174 0.000000       0.000000 
1 1 1 11 25 1  o 12.180  3.4476 223.074   128.438  182.392   182.484  263.011   180.806  11.472  4.7840 12.887  4.9656 -1.415718      6.895186 
1 1 1 11 25 2  o 9.2516  2.8653 62.389    96.847   93.289    164.758  46.076    119.712  9.9449  4.3519 8.5583  3.7283 1.386562       5.730582 
1 1 1 11 25 3  o 8.3619  3.9327 -25.7747  168.563  -25.7747  168.563  0.0000    0.0000   8.3619  3.9327 ?       ?      ?              ?        
1 1 1 11 25 4  o 10.546  4.7623 173.576   213.705  173.576   213.705  0.0000    0.0000   10.546  4.7623 ?       ?      ?              ?        
1 1 1 11 25 5  f 9.6065  4.5210 150.727   223.429  150.727   223.429  0.0000    0.0000   9.6065  4.5210 ?       ?      ?              ?        
1 1 1 11 25 6  o 11.120  5.0529 277.914   245.092  277.914   245.092  0.0000    0.0000   11.120  5.0529 ?       ?      ?              ?        
1 1 1 11 25 7  o 9.0210  4.3775 234.656   247.031  234.656   247.031  0.0000    0.0000   9.0210  4.3775 ?       ?      ?              ?        
1 1 1 11 26 0  o 8.3397  5.2359 155.156   182.096  0.0000    0.0000   155.156   182.096  8.3397  5.2359 8.3397  5.2359 0.000000       0.000000 
1 1 1 11 26 1  o 8.8511  2.8663 74.485    112.914  137.580   173.252  27.897    148.875  9.5860  4.3122 8.1162  3.7772 1.469827       5.732564 
1 1 1 11 26 2  o 12.193  3.8167 438.787   183.673  555.997   273.656  342.699   247.774  13.118  5.6759 11.267  5.1043 1.851533       7.633454 
1 1 1 11 26 3  o 12.922  5.7258 521.498   293.616  521.498   293.616  0.0000    0.0000   12.922  5.7258 ?       ?      ?              ?        
1 1 1 11 26 4  o 7.4102  3.6467 -143.9639 190.079  -143.9639 190.079  0.0000    0.0000   7.4102  3.6467 ?       ?      ?              ?        
1 1 1 11 26 5  f 7.4510  3.6448 -8.3389   181.181  -8.3389   181.181  0.0000    0.0000   7.4510  3.6448 ?       ?      ?              ?        
1 1 1 11 26 6  o 9.7566  4.6191 250.131   239.684  250.131   239.684  0.0000    0.0000   9.7566  4.6191 ?       ?      ?              ?        
1 1 1 11 27 0  o 6.1784  4.1675 26.639    149.248  0.0000    0.0000   26.639    149.248  6.1784  4.1675 6.1784  4.1675 0.000000       0.000000 
1 1 1 11 27 1  o 10.778  3.3910 290.819   150.241  459.827   222.794  149.864   203.464  12.397  5.2350 9.1589  4.3116 3.237876       6.781923 
1 1 1 11 27 2  o 9.3556  3.0246 186.893   125.324  337.894   194.718  80.106    163.748  10.669  4.6984 8.0417  3.8103 2.627769       6.049283 
1 1 1 11 27 3  o 9.8871  4.7256 371.253   263.186  371.253   263.186  0.0000    0.0000   9.8871  4.7256 ?       ?      ?              ?        
1 1 1 11 27 4  o 8.7243  4.1367 111.153   193.667  111.153   193.667  0.0000    0.0000   8.7243  4.1367 ?       ?      ?              ?        
1 1 1 12 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 1  2  o 65.565  15.281 4877.66   1966.81  0.0000    0.0000   4877.66   1966.81  ?       ?      65.565  15.281 ?              ?        
1 1 1 12 1  3  o 41.392  6.8035 1851.28   552.565  1884.96   777.937  1816.99   785.001  41.797  9.5191 40.987  9.7229 0.8093185      13.60695 
1 1 1 12 1  4  o 15.752  3.2022 255.638   108.657  183.112   153.422  328.625   153.909  13.857  4.6714 17.647  4.3810 -3.790675      6.404310 
1 1 1 12 1  5  o 60.955  10.961 4677.77   1339.62  4549.24   1897.73  4805.43   1891.32  59.964  15.655 61.946  15.345 -1.982082      21.92171 
1 1 1 12 1  6  o 56.281  10.565 4214.19   1210.85  3984.77   1714.13  4442.69   1710.68  54.441  15.175 58.122  14.705 -3.680077      21.13082 
1 1 1 12 1  7  o 21.596  4.2623 528.012   191.609  583.266   274.303  475.360   267.767  22.664  5.9689 20.529  6.0862 2.135483       8.524579 
1 1 1 12 1  8  o 29.546  4.6015 977.578   252.974  1068.75   438.270  932.025   309.792  30.100  7.3451 28.992  5.5447 1.107376       9.202963 
1 1 1 12 1  9  o 24.839  4.1036 685.272   191.829  785.398   331.631  634.924   235.165  25.854  6.4381 23.824  5.0900 2.030298       8.207151 
1 1 1 12 1  10 o 23.802  4.0355 694.256   188.804  498.576   332.297  787.541   229.435  20.470  6.8750 27.133  4.2280 -6.662441      8.071066 
1 1 1 12 1  11 o 15.581  2.9023 275.141   91.729   283.232   129.143  266.902   130.315  15.822  4.0607 15.340  4.1479 0.4816914      5.804695 
1 1 1 12 1  12 o 17.271  3.2960 354.115   116.592  338.037   165.512  369.953   164.267  16.855  4.7215 17.687  4.6002 -0.8326836     6.592054 
1 1 1 12 1  13 o 24.302  3.9689 754.374   189.299  696.581   268.544  811.454   266.883  23.141  5.8106 25.462  5.4078 -2.320772      7.937713 
1 1 1 12 1  14 o 13.348  3.2157 221.362   105.356  273.127   145.065  163.580   153.265  14.669  4.5083 12.027  4.5869 2.642402       6.431483 
1 1 1 12 1  15 o 9.1226  2.9088 14.361    110.396  59.423    130.608  -98.3852  206.591  9.2910  3.9689 8.9543  4.2535 0.3367100      5.817564 
1 1 1 12 1  16 o 7.4302  2.5799 -122.9588 124.075  -104.0873 149.356  -164.9860 222.886  7.0132  3.4033 7.8472  3.8782 -0.8339772     5.159757 
1 1 1 12 1  17 o 8.1834  2.8009 31.828    132.970  -113.2987 169.687  262.733   214.038  6.7107  3.3285 9.6561  4.5056 -2.945436      5.601718 
1 1 1 12 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 2  2  o 32.664  7.7423 1137.05   498.077  0.0000    0.0000   1137.05   498.077  ?       ?      32.664  7.7423 ?              ?        
1 1 1 12 2  3  o 45.596  10.548 2266.14   942.800  0.0000    0.0000   2266.14   942.800  ?       ?      45.596  10.548 ?              ?        
1 1 1 12 2  4  o 35.705  6.1010 1409.04   430.951  1459.52   606.094  1357.43   612.875  36.395  8.4833 35.015  8.7705 1.380692       12.20193 
1 1 1 12 2  5  o 56.608  10.041 3949.48   1135.30  4090.19   1604.55  3808.40   1606.56  57.774  14.027 55.442  14.370 2.331696       20.08141 
1 1 1 12 2  6  o 36.338  6.3539 1513.68   459.353  1462.31   652.669  1564.10   646.620  35.665  9.1155 37.011  8.8542 -1.346043      12.70785 
1 1 1 12 2  7  f 37.661  7.3228 1899.36   568.800  1928.35   806.130  1870.61   802.690  37.979  10.336 37.343  10.375 0.6357689      14.64555 
1 1 1 12 2  8  o 51.733  8.4881 3570.25   833.191  5300.71   1447.02  2711.98   1019.08  60.133  12.442 43.333  11.549 16.80048       16.97613 
1 1 1 12 2  9  o 16.546  3.3087 304.814   109.256  268.589   202.371  319.715   129.797  15.931  5.3651 17.161  3.8736 -1.230396      6.617348 
1 1 1 12 2  10 o 27.472  4.6131 944.968   246.594  763.983   431.215  1032.91   300.594  24.287  7.8158 30.657  4.9026 -6.369137      9.226163 
1 1 1 12 2  11 o 18.401  2.9918 388.096   108.363  449.718   151.973  324.362   154.557  20.057  3.9290 16.746  4.5128 3.311497       5.983558 
1 1 1 12 2  12 o 16.079  3.2377 303.019   109.389  336.315   157.810  272.225   151.766  16.903  4.5621 15.255  4.5955 1.647492       6.475466 
1 1 1 12 2  13 o 11.524  2.7876 129.819   87.684   4.7299    129.572  235.502   119.098  8.8553  3.8676 14.194  4.0154 -5.338278      5.575148 
1 1 1 12 2  14 o 16.006  3.5967 354.771   129.427  353.029   186.434  356.392   179.820  15.918  5.1409 16.094  5.0315 -0.1753922     7.193353 
1 1 1 12 2  15 f 13.530  3.4623 260.326   120.916  237.581   173.913  281.608   168.231  13.038  4.9063 14.023  4.8865 -0.9855824     6.924561 
1 1 1 12 2  16 o 11.443  3.1938 229.209   118.351  91.771    170.912  355.826   164.046  9.1748  4.1885 13.711  4.8226 -4.536119      6.387578 
1 1 1 12 2  17 o 9.9637  3.3282 301.956   167.876  239.017   205.438  428.449   291.242  9.6253  4.4651 10.302  4.9366 -0.6768084     6.656363 
1 1 1 12 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 3  3  o 96.002  26.458 13221.47  5243.01  0.0000    0.0000   13221.47  5243.01  ?       ?      96.002  26.458 ?              ?        
1 1 1 12 3  4  o 25.499  6.4636 699.039   330.074  0.0000    0.0000   699.039   330.074  ?       ?      25.499  6.4636 ?              ?        
1 1 1 12 3  5  o 48.721  8.5333 2826.51   828.446  3017.42   1168.22  2633.39   1175.01  50.587  11.768 46.856  12.360 3.731026       17.06661 
1 1 1 12 3  6  o 36.221  6.3993 1521.46   463.676  1672.94   653.825  1368.20   657.666  38.190  8.7481 34.252  9.3421 3.938072       12.79858 
1 1 1 12 3  7  o 52.008  13.912 7013.96   1984.56  7165.34   2811.27  6863.59   2801.95  52.704  19.747 51.312  19.602 1.391983       27.82430 
1 1 1 12 3  8  o 38.187  6.0174 1755.66   428.354  2268.17   748.120  1505.69   522.477  41.424  9.2624 34.950  7.6839 6.473618       12.03470 
1 1 1 12 3  9  o 23.115  3.8256 550.578   167.944  812.462   292.069  421.216   205.275  26.836  5.6217 19.394  5.1900 7.442047       7.651154 
1 1 1 12 3  10 o 16.042  3.3064 262.973   108.001  395.529   190.617  200.301   131.069  18.512  5.0213 13.572  4.3029 4.939788       6.612750 
1 1 1 12 3  11 o 15.500  2.8934 273.695   91.158   254.049   128.798  293.415   129.036  14.929  4.1591 16.072  4.0236 -1.143188      5.786825 
1 1 1 12 3  12 o 13.720  3.0925 207.366   97.454   269.941   141.397  150.745   134.503  15.306  4.3906 12.134  4.3562 3.172318       6.184925 
1 1 1 12 3  13 o 19.016  3.4088 444.682   135.837  629.135   197.633  279.523   187.011  22.990  4.4592 15.042  5.1571 7.947722       6.817625 
1 1 1 12 3  14 o 11.008  3.0946 131.525   102.318  108.001   154.785  149.781   136.361  10.687  4.4271 11.329  4.3252 -0.6416073     6.189193 
1 1 1 12 3  15 o 14.651  3.4954 301.574   127.402  445.218   189.396  182.859   172.179  17.368  5.1104 11.934  4.7702 5.433197       6.990820 
1 1 1 12 3  16 o 12.173  3.5795 341.616   144.587  417.493   211.525  275.071   198.090  13.113  5.2710 11.232  4.8444 1.881421       7.158996 
1 1 1 12 3  17 o 8.6712  2.8242 100.217   117.459  218.671   165.782  -19.1835  166.444  9.9182  4.3522 7.4241  3.6004 2.494099       5.648444 
1 1 1 12 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 4  4  o 88.886  29.494 15452.66  6118.48  0.0000    0.0000   15452.66  6118.48  ?       ?      88.886  29.494 ?              ?        
1 1 1 12 4  5  o 59.697  11.162 4735.87   1353.07  4683.77   1911.90  4788.14   1915.16  59.314  15.824 60.080  15.747 -0.7652321     22.32432 
1 1 1 12 4  6  o 16.747  3.5824 294.291   130.165  261.421   177.020  332.984   192.060  15.858  4.9977 17.635  5.1340 -1.777513      7.164862 
1 1 1 12 4  7  f 34.144  6.3732 1442.06   442.816  1568.12   627.257  1316.81   625.220  35.792  8.8195 32.495  9.2027 3.297348       12.74650 
1 1 1 12 4  8  o 15.431  3.1375 264.847   97.768   222.189   182.280  282.075   115.841  14.723  5.0889 16.140  3.6715 -1.417217      6.275064 
1 1 1 12 4  9  o 19.470  3.6875 413.734   138.964  458.236   248.676  393.527   167.570  20.051  5.8433 18.890  4.4997 1.160881       7.375081 
1 1 1 12 4  10 o 32.348  5.6881 1607.71   404.406  884.732   703.052  1965.20   494.382  23.983  9.6204 40.712  6.0717 -16.72846      11.37620 
1 1 1 12 4  11 o 23.333  3.6259 652.725   164.680  696.973   233.723  609.101   232.071  24.246  4.9863 22.419  5.2654 1.826595       7.251750 
1 1 1 12 4  12 o 23.238  3.6553 639.457   165.774  709.822   236.083  571.017   232.830  24.676  4.9558 21.800  5.3744 2.876297       7.310513 
1 1 1 12 4  13 o 28.068  4.5041 1069.78   247.322  1141.07   348.636  997.545   350.908  29.341  6.1383 26.794  6.5931 2.546856       9.008247 
1 1 1 12 4  14 o 12.252  3.0131 170.676   95.595   81.409    129.982  275.840   141.082  9.9091  4.0762 14.595  4.4385 -4.685638      6.026215 
1 1 1 12 4  15 o 10.612  3.0106 105.402   106.756  231.898   150.048  -24.2733  151.922  12.797  4.6003 8.4273  3.8847 4.369977       6.021146 
1 1 1 12 4  16 o 10.646  3.2316 224.524   126.920  302.566   177.923  143.669   181.102  11.784  4.7989 9.5084  4.3294 2.275130       6.463280 
1 1 1 12 4  17 o 9.9609  2.9119 128.283   119.408  -175.6115 173.976  398.939   164.186  6.5854  3.2833 13.336  4.8101 -6.750937      5.823828 
1 1 1 12 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 5  4  o 54.907  13.612 3652.51   1487.38  0.0000    0.0000   3652.51   1487.38  ?       ?      54.907  13.612 ?              ?        
1 1 1 12 5  5  o 49.022  12.348 2949.49   1209.96  0.0000    0.0000   2949.49   1209.96  ?       ?      49.022  12.348 ?              ?        
1 1 1 12 5  6  o 28.809  5.2579 968.887   308.788  777.954   434.861  1163.07   438.546  25.797  7.7807 31.821  7.0741 -6.023991      10.51583 
1 1 1 12 5  7  o 31.789  5.7779 1189.26   371.217  1036.44   521.260  1346.52   528.783  29.584  8.4114 33.995  7.9237 -4.411770      11.55583 
1 1 1 12 5  8  o 22.530  3.6496 515.405   155.456  766.287   271.116  392.518   189.747  26.241  5.3474 18.818  4.9683 7.422531       7.299243 
1 1 1 12 5  9  o 22.280  3.9843 611.019   176.509  443.543   305.782  694.707   216.157  19.477  6.5948 25.083  4.4730 -5.605631      7.968597 
1 1 1 12 5  10 o 14.283  3.0077 245.511   97.684   91.995    181.445  308.166   115.917  11.847  4.8380 16.719  3.5749 -4.871505      6.015476 
1 1 1 12 5  11 o 17.000  3.5315 306.151   121.126  482.444   221.094  230.548   144.787  19.800  5.4233 14.200  4.5246 5.600318       7.062909 
1 1 1 12 5  12 o 21.848  3.4644 560.959   147.619  544.844   211.954  576.138   205.716  21.451  5.0280 22.245  4.7673 -0.7933445     6.928732 
1 1 1 12 5  13 o 21.220  3.6265 566.721   153.132  639.991   213.098  488.488   220.198  22.969  4.7937 19.471  5.4429 3.497904       7.252907 
1 1 1 12 5  14 o 13.503  3.3346 231.272   111.164  268.610   161.788  197.880   153.000  14.316  4.7972 12.691  4.6331 1.625533       6.669283 
1 1 1 12 5  15 o 18.545  4.0897 609.301   169.645  700.156   245.565  526.355   234.635  20.117  5.7907 16.974  5.7767 3.142986       8.179364 
1 1 1 12 5  16 o 10.871  3.3070 237.588   130.039  254.797   184.165  220.477   183.641  11.115  4.7297 10.626  4.6234 0.4897223      6.614073 
1 1 1 12 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 6  5  o 15.801  4.8325 259.623   166.911  0.0000    0.0000   259.623   166.911  ?       ?      15.801  4.8325 ?              ?        
1 1 1 12 6  6  o 37.499  10.309 1880.95   797.195  0.0000    0.0000   1880.95   797.195  ?       ?      37.499  10.309 ?              ?        
1 1 1 12 6  7  o 39.193  7.4046 1986.25   591.887  1899.74   834.246  2073.95   839.891  38.224  10.562 40.162  10.381 -1.937668      14.80913 
1 1 1 12 6  8  o 22.490  3.9398 581.925   168.987  540.394   299.304  601.359   204.743  21.550  6.4450 23.430  4.5331 -1.880623      7.879545 
1 1 1 12 6  9  o 20.977  3.8045 461.327   152.811  679.115   273.708  362.702   184.190  24.085  5.7598 17.870  4.9720 6.215645       7.608924 
1 1 1 12 6  10 o 18.699  3.6279 408.010   134.544  420.679   234.546  401.797   164.257  18.651  5.7325 18.747  4.4479 -0.9641266E-01 7.255704 
1 1 1 12 6  11 o 16.829  3.5453 342.998   127.675  255.185   229.208  382.502   153.735  15.326  5.6589 18.332  4.2722 -3.005309      7.090504 
1 1 1 12 6  12 o 22.629  3.4269 606.895   154.798  801.390   219.700  415.147   218.143  26.914  4.0816 18.345  5.5058 8.568951       6.853703 
1 1 1 12 6  13 o 16.948  3.2393 354.261   113.712  295.513   162.768  410.270   158.926  15.439  4.7805 18.457  4.3725 -3.017039      6.478581 
1 1 1 12 6  14 o 9.5787  2.8038 70.290    89.746   135.230   130.992  12.840    123.206  10.798  4.2080 8.3596  3.7064 2.438221       5.607551 
1 1 1 12 6  15 o 15.049  3.5792 367.304   128.085  389.287   175.305  342.130   187.600  15.720  4.9755 14.379  5.1465 1.341238       7.158323 
1 1 1 12 6  16 o 13.049  3.6001 354.622   135.762  342.085   191.142  367.386   192.864  12.840  5.0597 13.258  5.1228 -0.4175072     7.200222 
1 1 1 12 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 7  6  o 29.120  7.6376 1000.14   450.330  0.0000    0.0000   1000.14   450.330  ?       ?      29.120  7.6376 ?              ?        
1 1 1 12 7  7  o 15.589  5.1925 260.595   189.576  0.0000    0.0000   260.595   189.576  ?       ?      15.589  5.1925 ?              ?        
1 1 1 12 7  8  o 28.858  4.7762 1038.00   269.977  734.754   467.543  1189.70   330.678  24.483  8.1545 33.233  4.9751 -8.749834      9.552343 
1 1 1 12 7  9  o 41.765  7.7745 2746.53   656.490  2493.01   1135.67  2873.77   804.532  36.954  12.706 46.576  8.9621 -9.621861      15.54891 
1 1 1 12 7  10 o 21.865  3.8743 619.545   178.022  354.689   307.870  752.585   218.200  17.491  6.5385 26.239  4.1580 -8.747454      7.748620 
1 1 1 12 7  11 o 24.673  4.5882 801.782   224.004  719.658   395.240  840.644   271.887  22.743  7.4938 26.603  5.2962 -3.860756      9.176435 
1 1 1 12 7  12 o 29.317  4.4202 1090.62   251.329  1153.56   354.574  1027.08   356.297  30.405  6.0437 28.228  6.4518 2.176893       8.840326 
1 1 1 12 7  13 o 14.056  3.0388 230.091   96.482   307.296   138.236  156.760   134.724  16.073  4.2393 12.039  4.3549 4.034180       6.077524 
1 1 1 12 7  14 o 8.8712  2.6764 62.016    83.789   86.738    122.750  40.446    114.656  9.3655  3.9162 8.3770  3.6490 0.9885197      5.352749 
1 1 1 12 7  15 o 18.550  4.2856 672.278   182.974  694.157   261.365  651.248   256.240  18.861  6.0864 18.239  6.0350 0.6224613      8.571244 
1 1 1 12 7  16 o 10.021  3.1862 167.029   143.761  242.282   172.188  -6.1378   261.199  11.132  4.6451 8.9106  4.3625 2.221525       6.372489 
1 1 1 12 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 8  6  o 48.714  13.921 3481.07   1424.05  0.0000    0.0000   3481.07   1424.05  ?       ?      48.714  13.921 ?              ?        
1 1 1 12 8  7  o 11.924  4.4870 117.991   145.452  0.0000    0.0000   117.991   145.452  ?       ?      11.924  4.4870 ?              ?        
1 1 1 12 8  8  o 34.171  6.3712 1365.95   419.402  0.0000    0.0000   1365.95   419.402  ?       ?      34.171  6.3712 ?              ?        
1 1 1 12 8  9  o 36.078  6.5763 2207.07   548.936  1265.90   950.688  2677.80   672.341  26.230  10.927 45.925  7.3200 -19.69451      13.15262 
1 1 1 12 8  10 o 14.555  3.1386 245.603   97.431   206.814   174.184  263.266   117.538  13.838  4.9584 15.272  3.8494 -1.433937      6.277224 
1 1 1 12 8  11 o 27.458  3.8712 914.317   205.129  913.861   291.282  914.766   288.925  27.427  5.5015 27.489  5.4479 -0.6163216E-01 7.742470 
1 1 1 12 8  12 o 19.525  3.4914 467.713   138.018  563.930   197.968  376.718   192.521  21.679  4.7012 17.370  5.1631 4.308962       6.982773 
1 1 1 12 8  13 o 25.455  4.1946 884.966   209.908  823.433   298.395  945.245   295.338  24.260  6.1435 26.649  5.7129 -2.388660      8.389221 
1 1 1 12 8  14 o 15.741  3.3472 363.894   117.475  279.923   167.523  445.138   164.782  13.681  4.8669 17.801  4.5965 -4.119968      6.694367 
1 1 1 12 8  15 o 15.070  3.4732 444.796   171.787  727.417   215.501  -47.8386  284.518  20.722  5.2063 9.4181  4.5986 11.30397       6.946452 
1 1 1 12 8  16 o 8.5240  2.9083 69.820    128.536  2.1665    149.679  259.845   250.852  7.3958  3.5426 9.6523  4.6134 -2.256493      5.816683 
1 1 1 12 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 9  7  o 23.278  6.6298 641.137   323.545  0.0000    0.0000   641.137   323.545  ?       ?      23.278  6.6298 ?              ?        
1 1 1 12 9  8  o 44.382  8.7563 2594.35   749.645  0.0000    0.0000   2594.35   749.645  ?       ?      44.382  8.7563 ?              ?        
1 1 1 12 9  9  o 21.968  4.6666 554.334   198.702  0.0000    0.0000   554.334   198.702  ?       ?      21.968  4.6666 ?              ?        
1 1 1 12 9  10 o 18.311  3.5432 424.557   135.290  290.171   237.572  489.054   164.584  15.846  5.7751 20.776  4.1066 -4.929100      7.086340 
1 1 1 12 9  11 f 21.004  3.3115 511.435   135.668  548.198   191.928  474.721   191.798  21.860  4.5384 20.148  4.8237 1.712334       6.623082 
1 1 1 12 9  12 o 8.9731  2.4496 62.409    63.810   98.486    90.340   26.490    90.141   9.9199  3.5692 8.0263  3.3561 1.893531       4.899185 
1 1 1 12 9  13 o 20.080  3.9201 595.066   164.875  493.572   229.517  703.284   236.999  17.944  5.6945 22.216  5.3891 -4.272100      7.840231 
1 1 1 12 9  14 o 16.342  3.7338 453.132   158.934  542.924   186.632  216.165   303.189  19.828  4.7654 12.856  5.7496 6.972305       7.467696 
1 1 1 12 9  15 o 10.535  3.3781 169.275   138.556  100.720   162.895  348.658   263.497  9.2745  4.1758 11.796  5.3111 -2.521701      6.756163 
1 1 1 12 9  16 o 7.6186  2.6759 -51.5884  126.863  -171.9001 150.233  247.429   236.842  6.0243  3.0109 9.2129  4.4244 -3.188583      5.351741 
1 1 1 12 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 10 7  o 45.610  9.1128 2700.83   802.191  0.0000    0.0000   2700.83   802.191  ?       ?      45.610  9.1128 ?              ?        
1 1 1 12 10 8  o 16.808  4.1646 315.939   139.279  0.0000    0.0000   315.939   139.279  ?       ?      16.808  4.1646 ?              ?        
1 1 1 12 10 9  o 31.945  6.4470 1274.24   397.700  0.0000    0.0000   1274.24   397.700  ?       ?      31.945  6.4470 ?              ?        
1 1 1 12 10 10 o 15.420  3.8930 267.411   120.079  0.0000    0.0000   267.411   120.079  ?       ?      15.420  3.8930 ?              ?        
1 1 1 12 10 11 o 33.918  5.1389 1554.66   338.137  1597.78   475.881  1510.69   480.549  34.609  7.1129 33.227  7.4189 1.381519       10.27779 
1 1 1 12 10 12 o 14.767  2.9921 261.342   93.066   245.985   132.292  276.389   130.948  14.328  4.2848 15.207  4.1773 -0.8790407     5.984113 
1 1 1 12 10 13 o 9.2397  2.9124 -14.8990  115.589  98.705    157.630  -147.0420 170.006  10.594  4.4345 7.8854  3.7767 2.708641       5.824828 
1 1 1 12 10 14 o 13.518  3.2015 297.919   124.349  401.087   147.179  40.581    232.447  16.911  4.3322 10.126  4.7148 6.785452       6.402936 
1 1 1 12 10 15 o 7.1318  2.4955 -99.3359  110.414  -65.8870  121.522  -257.6041 264.340  6.5839  3.1638 7.6797  3.8601 -1.095792      4.991004 
1 1 1 12 10 16 o 5.9246  2.1257 -299.9046 116.072  -316.3908 143.290  -268.4412 197.951  5.3277  2.6976 6.5215  3.2860 -1.193815      4.251448 
1 1 1 12 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 11 8  o 29.197  5.8108 1027.69   327.387  0.0000    0.0000   1027.69   327.387  ?       ?      29.197  5.8108 ?              ?        
1 1 1 12 11 9  o 18.566  3.9504 390.627   142.180  0.0000    0.0000   390.627   142.180  ?       ?      18.566  3.9504 ?              ?        
1 1 1 12 11 10 o 33.222  6.8419 1435.81   439.469  0.0000    0.0000   1435.81   439.469  ?       ?      33.222  6.8419 ?              ?        
1 1 1 12 11 11 o 5.1839  1.7237 -94.3553  45.199   -7.9606   72.705   -148.7791 57.705   6.6031  2.8902 3.7647  1.8792 2.838392       3.447411 
1 1 1 12 11 12 o 20.444  4.8171 611.837   230.123  608.837   306.575  615.710   348.287  20.631  6.5850 20.258  7.0325 0.3724880      9.634232 
1 1 1 12 11 13 o 10.044  3.1361 85.863    107.520  71.047    122.095  137.044   226.931  9.0669  3.8544 11.020  4.9482 -1.953463      6.272241 
1 1 1 12 11 14 o 11.773  3.0622 210.553   113.859  292.799   129.278  -73.8474  240.399  14.328  4.2239 9.2178  4.4347 5.110447       6.124357 
1 1 1 12 11 15 o 9.4516  3.0869 99.128    122.431  100.436   136.340  93.682    278.233  9.1181  3.9753 9.7851  4.7235 -0.6669664     6.173709 
1 1 1 12 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 12 9  o 11.591  4.7013 91.333    169.932  0.0000    0.0000   91.333    169.932  ?       ?      11.591  4.7013 ?              ?        
1 1 1 12 12 10 o 27.225  5.4546 897.402   286.651  0.0000    0.0000   897.402   286.651  ?       ?      27.225  5.4546 ?              ?        
1 1 1 12 12 11 o 18.073  3.6673 360.696   163.379  76.811    216.132  739.199   249.564  11.849  5.0847 24.297  5.2861 -12.44765      7.334649 
1 1 1 12 12 12 o 10.323  3.1580 65.248    104.735  42.603    120.401  135.681   212.336  8.9021  3.8069 11.744  5.0399 -2.842345      6.316084 
1 1 1 12 12 13 o 7.9816  2.6317 -36.8073  93.358   0.4440    105.320  -173.4287 201.696  7.6735  3.4133 8.2897  4.0065 -0.6162033     5.263331 
1 1 1 12 12 14 o 8.1485  2.8094 -69.9843  98.627   -109.9557 107.805  135.222   244.264  5.9895  2.9030 10.308  4.8108 -4.318010      5.618820 
1 1 1 12 12 15 o 10.925  3.6456 314.663   170.633  91.343    195.810  1019.45   347.854  8.3674  4.0196 13.482  6.0832 -5.114464      7.291276 
1 1 1 12 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 13 9  o 7.7414  3.5504 -68.5499  124.700  0.0000    0.0000   -68.5499  124.700  ?       ?      7.7414  3.5504 ?              ?        
1 1 1 12 13 10 o 11.629  4.6226 111.541   160.848  0.0000    0.0000   111.541   160.848  ?       ?      11.629  4.6226 ?              ?        
1 1 1 12 13 11 o 20.942  4.1858 628.987   218.979  940.950   287.906  200.831   337.288  27.200  5.4817 14.684  6.3273 12.51656       8.371602 
1 1 1 12 13 12 o 10.118  3.0542 68.973    103.271  16.670    125.685  177.672   181.189  8.4325  3.7409 11.804  4.8290 -3.371247      6.108454 
1 1 1 12 13 13 o 8.2975  2.6666 10.433    93.100   59.423    103.339  -200.6883 214.523  8.5207  3.5799 8.0743  3.9532 0.4463730      5.333234 
1 1 1 12 13 14 o 8.2657  2.8244 3.3453    121.249  -22.2361  138.818  85.658    249.010  7.3424  3.4875 9.1889  4.4436 -1.846537      5.648744 
1 1 1 12 13 15 o 8.7646  2.9686 97.336    115.610  51.644    126.429  330.559   285.635  7.6567  3.5345 9.8725  4.7706 -2.215779      5.937293 
1 1 1 12 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 14 10 o 19.307  6.4299 521.476   290.693  0.0000    0.0000   521.476   290.693  ?       ?      19.307  6.4299 ?              ?        
1 1 1 12 14 11 o 7.7234  2.6196 -102.5742 67.581   -127.5825 72.153   76.205    192.918  4.6572  2.2828 10.790  4.7157 -6.132381      5.239174 
1 1 1 12 14 12 o 7.1263  2.3078 -44.5418  78.799   31.808    91.556   -262.6799 154.757  7.7884  3.3249 6.4643  3.2014 1.324154       4.615597 
1 1 1 12 14 13 o 14.126  2.8684 324.099   133.508  555.004   157.762  -258.4792 250.590  20.091  4.0657 8.1613  4.0475 11.92999       5.736891 
1 1 1 12 14 14 o 8.5484  2.8894 11.499    123.583  6.0236    141.690  28.909    252.655  7.8833  3.6742 9.2135  4.4605 -1.330195      5.778851 
1 1 1 12 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 15 10 f 10.383  4.5993 5.1648    189.326  0.0000    0.0000   5.1648    189.326  ?       ?      10.383  4.5993 ?              ?        
1 1 1 12 15 11 o 12.979  5.4437 231.465   238.275  0.0000    0.0000   231.465   238.275  ?       ?      12.979  5.4437 ?              ?        
1 1 1 12 15 12 o 12.652  3.5799 247.628   137.659  265.584   172.028  215.658   229.540  13.161  4.8940 12.142  5.2260 1.018892       7.159756 
1 1 1 12 15 13 o 11.017  3.1626 227.648   130.189  321.134   151.732  -33.2492  253.479  13.252  4.6394 8.7824  4.2993 4.469458       6.325161 
1 1 1 12 15 14 o 7.4621  2.5215 27.995    111.814  98.288    124.401  -267.5699 255.092  8.0333  3.6301 6.8908  3.5006 1.142565       5.042983 
1 1 1 12 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 16 11 o 8.2477  3.9892 -164.0986 200.930  0.0000    0.0000   -164.0986 200.930  ?       ?      8.2477  3.9892 ?              ?        
1 1 1 12 16 12 o 14.372  3.9197 412.547   170.951  501.204   221.062  280.653   269.630  16.394  5.6070 12.350  5.4789 4.044513       7.839405 
1 1 1 12 16 13 o 10.599  3.1592 193.447   125.290  249.506   143.335  11.903    257.939  11.987  4.4652 9.2106  4.4703 2.776105       6.318387 
1 1 1 12 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 17 11 o 10.832  4.9311 112.264   234.793  0.0000    0.0000   112.264   234.793  ?       ?      10.832  4.9311 ?              ?        
1 1 1 12 17 12 o 8.5082  4.0583 12.209    192.063  0.0000    0.0000   12.209    192.063  ?       ?      8.5082  4.0583 ?              ?        
1 1 1 12 17 13 o 8.2954  2.8004 102.269   121.622  103.615   136.129  96.949    270.750  8.2068  3.7433 8.3839  4.1662 -0.1771660     5.600847 
1 1 1 12 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 1  o 15.336  4.8289 275.868   165.301  0.0000    0.0000   275.868   165.301  ?       ?      15.336  4.8289 ?              ?        
1 1 1 12 18 2  o 32.908  12.655 2845.07   1172.55  0.0000    0.0000   2845.07   1172.55  ?       ?      32.908  12.655 ?              ?        
1 1 1 12 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 18 12 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 0  o 27.021  10.641 1256.17   552.162  0.0000    0.0000   1256.17   552.162  27.021  10.641 27.021  10.641 0.000000       0.000000 
1 1 1 12 19 1  o 7.7789  2.3201 16.450    62.025   -1.8150   91.907   31.727    84.052   7.5547  3.2790 8.0031  3.2833 -0.4484563     4.640215 
1 1 1 12 19 2  o 19.569  4.0590 480.666   175.229  341.660   251.211  612.395   244.546  16.809  5.9619 22.329  5.5098 -5.520123      8.118012 
1 1 1 12 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 19 12 o ?       ?      -327.5086 260.615  0.0000    0.0000   -327.5086 260.615  ?       ?      ?       ?      ?              ?        
1 1 1 12 20 0  o 13.275  6.1397 282.830   179.849  0.0000    0.0000   282.830   179.849  13.275  6.1397 13.275  6.1397 0.000000       0.000000 
1 1 1 12 20 1  o 7.9282  2.3424 21.752    62.397   -6.2169   96.367   41.942    81.877   7.6539  3.3394 8.2024  3.2856 -0.5485034     4.684730 
1 1 1 12 20 2  o 17.243  3.7820 360.443   144.546  328.697   209.295  389.394   199.869  16.549  5.4532 17.937  5.2418 -1.387905      7.564020 
1 1 1 12 20 3  o 31.311  8.6981 2728.77   796.597  2744.60   1132.19  2713.26   1121.01  31.326  12.324 31.296  12.278 0.2917862E-01  17.39615 
1 1 1 12 20 4  o 26.384  12.487 4296.48   1748.82  4296.48   1748.82  0.0000    0.0000   26.384  12.487 ?       ?      ?              ?        
1 1 1 12 20 5  o 27.124  10.918 2145.73   909.009  2145.73   909.009  0.0000    0.0000   27.124  10.918 ?       ?      ?              ?        
1 1 1 12 20 6  o 19.213  6.6726 561.787   313.570  561.787   313.570  0.0000    0.0000   19.213  6.6726 ?       ?      ?              ?        
1 1 1 12 20 7  o 10.890  4.5296 104.362   162.981  104.362   162.981  0.0000    0.0000   10.890  4.5296 ?       ?      ?              ?        
1 1 1 12 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 20 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 20 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 20 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 12 21 0  o 4.7711  3.2186 -33.5079  89.078   0.0000    0.0000   -33.5079  89.078   4.7711  3.2186 4.7711  3.2186 0.000000       0.000000 
1 1 1 12 21 1  o 21.037  4.5792 626.394   217.717  479.253   310.142  769.351   305.701  18.414  6.6144 23.660  6.3344 -5.245510      9.158377 
1 1 1 12 21 2  o 28.300  7.5218 1936.38   578.550  1873.09   822.236  1998.45   814.210  27.633  10.604 28.966  10.671 -1.332495      15.04356 
1 1 1 12 21 3  o 27.204  7.4986 1986.69   594.516  1788.59   846.030  2179.94   835.613  25.423  10.422 28.985  10.784 -3.561888      14.99718 
1 1 1 12 21 4  o 27.616  9.9936 1635.26   709.592  1635.26   709.592  0.0000    0.0000   27.616  9.9936 ?       ?      ?              ?        
1 1 1 12 21 5  o 21.375  9.2134 1643.30   715.617  1643.30   715.617  0.0000    0.0000   21.375  9.2134 ?       ?      ?              ?        
1 1 1 12 21 6  o 19.218  7.9186 1041.38   491.556  1041.38   491.556  0.0000    0.0000   19.218  7.9186 ?       ?      ?              ?        
1 1 1 12 21 7  o 19.229  8.5328 1462.27   654.391  1462.27   654.391  0.0000    0.0000   19.229  8.5328 ?       ?      ?              ?        
1 1 1 12 21 8  o 15.014  6.3347 523.224   325.768  523.224   325.768  0.0000    0.0000   15.014  6.3347 ?       ?      ?              ?        
1 1 1 12 21 9  o 12.626  5.6668 445.098   297.334  445.098   297.334  0.0000    0.0000   12.626  5.6668 ?       ?      ?              ?        
1 1 1 12 21 10 o 8.1043  3.9525 -71.3980  208.455  -71.3980  208.455  0.0000    0.0000   8.1043  3.9525 ?       ?      ?              ?        
1 1 1 12 21 11 o 7.5252  3.7482 -111.0167 224.417  -111.0167 224.417  0.0000    0.0000   7.5252  3.7482 ?       ?      ?              ?        
1 1 1 12 22 0  o 10.915  5.6179 198.870   156.662  0.0000    0.0000   198.870   156.662  10.915  5.6179 10.915  5.6179 0.000000       0.000000 
1 1 1 12 22 1  o 21.688  4.7919 697.040   240.179  510.336   344.467  873.684   335.058  18.578  6.9219 24.797  6.6285 -6.219336      9.583777 
1 1 1 12 22 2  o 24.847  6.5266 1409.90   434.142  1330.14   619.455  1486.88   608.628  23.872  9.1930 25.823  9.2669 -1.950869      13.05324 
1 1 1 12 22 3  o 12.321  3.2910 192.196   110.687  176.664   172.689  203.026   144.204  12.078  4.7933 12.565  4.5106 -0.4865303     6.581901 
1 1 1 12 22 4  o 20.315  7.5456 825.179   408.715  825.179   408.715  0.0000    0.0000   20.315  7.5456 ?       ?      ?              ?        
1 1 1 12 22 5  o 9.1832  4.2447 9.3283    183.202  9.3283    183.202  0.0000    0.0000   9.1832  4.2447 ?       ?      ?              ?        
1 1 1 12 22 6  o 14.107  5.8107 322.016   264.584  322.016   264.584  0.0000    0.0000   14.107  5.8107 ?       ?      ?              ?        
1 1 1 12 22 7  o 16.629  8.0897 1988.72   857.789  1988.72   857.789  0.0000    0.0000   16.629  8.0897 ?       ?      ?              ?        
1 1 1 12 22 8  o 11.759  5.3432 330.239   274.040  330.239   274.040  0.0000    0.0000   11.759  5.3432 ?       ?      ?              ?        
1 1 1 12 22 9  o 11.934  5.5075 397.461   306.687  397.461   306.687  0.0000    0.0000   11.934  5.5075 ?       ?      ?              ?        
1 1 1 12 22 10 o 9.0447  4.3875 178.708   247.582  178.708   247.582  0.0000    0.0000   9.0447  4.3875 ?       ?      ?              ?        
1 1 1 12 23 0  o 21.470  10.093 1088.85   487.212  0.0000    0.0000   1088.85   487.212  21.470  10.093 21.470  10.093 0.000000       0.000000 
1 1 1 12 23 1  o 17.390  4.4531 549.196   200.134  510.639   286.447  585.968   279.736  16.697  6.2940 18.084  6.3011 -1.387537      8.906107 
1 1 1 12 23 2  o 17.975  5.2907 971.566   315.102  952.987   450.541  989.354   440.860  17.678  7.4536 18.272  7.5105 -0.5945110     10.58135 
1 1 1 12 23 3  f 15.210  4.0122 437.230   174.392  300.568   263.729  543.419   232.473  13.006  5.5997 17.413  5.7477 -4.407125      8.024479 
1 1 1 12 23 4  o 14.561  5.6382 343.479   234.005  343.479   234.005  0.0000    0.0000   14.561  5.6382 ?       ?      ?              ?        
1 1 1 12 23 5  o 17.129  7.2033 851.225   418.979  851.225   418.979  0.0000    0.0000   17.129  7.2033 ?       ?      ?              ?        
1 1 1 12 23 6  o 15.766  6.7999 749.262   390.283  749.262   390.283  0.0000    0.0000   15.766  6.7999 ?       ?      ?              ?        
1 1 1 12 23 7  o 6.6761  3.3716 -383.7164 215.242  -383.7164 215.242  0.0000    0.0000   6.6761  3.3716 ?       ?      ?              ?        
1 1 1 12 23 8  o 10.032  4.7078 146.656   239.364  146.656   239.364  0.0000    0.0000   10.032  4.7078 ?       ?      ?              ?        
1 1 1 12 23 9  o 7.4084  3.7037 -105.5113 228.009  -105.5113 228.009  0.0000    0.0000   7.4084  3.7037 ?       ?      ?              ?        
1 1 1 12 24 0  o 6.7950  4.3453 39.942    132.253  0.0000    0.0000   39.942    132.253  6.7950  4.3453 6.7950  4.3453 0.000000       0.000000 
1 1 1 12 24 1  o 16.571  4.2820 486.573   186.743  427.754   267.828  542.224   260.513  15.537  6.0275 17.604  6.0838 -2.066957      8.564091 
1 1 1 12 24 2  o 7.9141  2.5499 -24.6126  82.893   53.197    145.461  -62.0334  100.876  9.3021  4.0794 6.5261  3.0606 2.775917       5.099896 
1 1 1 12 24 3  o 11.012  3.1757 160.670   109.434  127.136   191.903  176.830   133.218  10.684  4.6855 11.340  4.2880 -0.6562300     6.351466 
1 1 1 12 24 4  o 13.194  5.5943 333.873   256.095  333.873   256.095  0.0000    0.0000   13.194  5.5943 ?       ?      ?              ?        
1 1 1 12 24 5  o 7.1858  3.5070 -140.1194 164.930  -140.1194 164.930  0.0000    0.0000   7.1858  3.5070 ?       ?      ?              ?        
1 1 1 12 24 6  o 9.2468  4.3472 111.596   205.659  111.596   205.659  0.0000    0.0000   9.2468  4.3472 ?       ?      ?              ?        
1 1 1 12 24 7  o 10.147  4.7493 203.309   240.845  203.309   240.845  0.0000    0.0000   10.147  4.7493 ?       ?      ?              ?        
1 1 1 12 24 8  o 10.401  5.1203 573.043   375.881  573.043   375.881  0.0000    0.0000   10.401  5.1203 ?       ?      ?              ?        
1 1 1 12 25 0  o 8.7750  5.2661 154.297   166.029  0.0000    0.0000   154.297   166.029  8.7750  5.2661 8.7750  5.2661 0.000000       0.000000 
1 1 1 12 25 1  o 13.153  3.7585 340.766   153.099  334.983   223.998  345.836   209.735  12.966  5.3443 13.341  5.2863 -0.3752766     7.517072 
1 1 1 12 25 2  o 14.439  4.1597 522.127   198.942  377.793   292.111  646.987   271.691  12.512  5.6162 16.366  6.1376 -3.854667      8.319330 
1 1 1 12 25 3  o 13.593  4.1052 516.185   196.768  579.874   291.820  463.089   266.450  14.029  5.9611 13.157  5.6459 0.8713045      8.210438 
1 1 1 12 25 4  o 9.8128  4.4884 171.909   197.478  171.909   197.478  0.0000    0.0000   9.8128  4.4884 ?       ?      ?              ?        
1 1 1 12 25 5  o 10.830  4.9812 230.232   247.897  230.232   247.897  0.0000    0.0000   10.830  4.9812 ?       ?      ?              ?        
1 1 1 12 25 6  o 9.3556  4.4980 262.075   246.327  262.075   246.327  0.0000    0.0000   9.3556  4.4980 ?       ?      ?              ?        
1 1 1 12 25 7  o 7.1824  3.5771 -139.4148 204.210  -139.4148 204.210  0.0000    0.0000   7.1824  3.5771 ?       ?      ?              ?        
1 1 1 12 26 0  o 14.621  8.4788 853.679   405.159  0.0000    0.0000   853.679   405.159  14.621  8.4788 14.621  8.4788 0.000000       0.000000 
1 1 1 12 26 1  o 12.179  3.6583 314.785   162.791  523.288   240.639  138.848   221.049  14.447  5.6821 9.9113  4.6093 4.535617       7.316510 
1 1 1 12 26 2  o 10.765  3.2650 194.153   125.860  276.895   189.650  129.029   168.251  11.800  4.8952 9.7296  4.3217 2.070045       6.529935 
1 1 1 12 26 3  o 6.6411  2.2293 -33.6840  75.765   -225.4851 175.225  10.421    84.026   6.6151  3.2976 6.6670  3.0007 -0.5190945E-01 4.458573 
1 1 1 12 26 4  o 7.7357  3.7858 21.034    196.141  21.034    196.141  0.0000    0.0000   7.7357  3.7858 ?       ?      ?              ?        
1 1 1 12 26 5  o 10.383  4.9121 380.863   270.130  380.863   270.130  0.0000    0.0000   10.383  4.9121 ?       ?      ?              ?        
1 1 1 12 27 0  o 5.4099  3.7460 -14.4136  139.231  0.0000    0.0000   -14.4136  139.231  5.4099  3.7460 5.4099  3.7460 0.000000       0.000000 
1 1 1 12 27 1  o 7.2923  2.4850 2.3175    107.521  -0.5981   160.350  4.6994    144.933  7.3509  3.5575 7.2338  3.4705 0.1170721      4.969923 
1 1 1 12 27 2  o 9.3507  3.0537 172.163   130.060  290.465   207.183  95.224    167.083  10.287  4.6632 8.4147  3.9440 1.872057       6.107411 
1 1 1 13 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 1  2  f 68.757  17.131 5846.34   2347.06  0.0000    0.0000   5846.34   2347.06  ?       ?      68.757  17.131 ?              ?        
1 1 1 13 1  3  o 68.781  12.811 6292.49   1786.86  6329.99   2523.22  6254.76   2530.80  69.052  18.063 68.509  18.172 0.5431900      25.62263 
1 1 1 13 1  4  o 31.103  5.3814 1059.65   332.486  1138.71   468.241  979.238   472.196  32.318  7.4033 29.889  7.8121 2.429411       10.76274 
1 1 1 13 1  5  o 31.864  5.5270 1132.42   350.648  1262.98   497.711  1003.75   494.090  33.770  7.5577 29.959  8.0667 3.811380       11.05402 
1 1 1 13 1  6  o 28.881  5.3934 984.523   316.254  951.437   446.747  1017.76   447.758  28.366  7.6842 29.396  7.5701 -1.029921      10.78674 
1 1 1 13 1  7  o 27.138  5.0314 841.933   276.724  888.962   388.568  793.534   394.186  27.947  6.9742 26.328  7.2540 1.619137       10.06278 
1 1 1 13 1  8  o 45.060  9.8925 3399.83   984.962  3439.89   1391.39  3359.61   1394.51  45.424  13.962 44.696  14.018 0.7278786      19.78509 
1 1 1 13 1  9  f 8.7564  2.5540 27.973    60.321   66.615    133.023  17.971    67.680   10.406  4.1810 7.1063  2.9343 3.300191       5.107916 
1 1 1 13 1  10 o 21.509  3.9344 503.766   163.096  760.630   291.044  386.177   196.921  24.938  5.9233 18.079  5.1801 6.859201       7.868807 
1 1 1 13 1  11 o 30.798  5.8535 1394.92   356.592  1503.67   617.891  1340.61   436.644  30.024  9.3171 31.573  7.0885 -1.548903      11.70707 
1 1 1 13 1  12 o 18.552  3.7883 425.378   146.700  364.106   253.474  456.239   179.889  17.307  5.9999 19.796  4.6267 -2.488354      7.576643 
1 1 1 13 1  13 o 13.101  3.0977 195.208   98.118   133.934   139.676  254.901   137.863  11.576  4.3875 14.627  4.3741 -3.050337      6.195364 
1 1 1 13 1  14 o 17.614  3.3897 413.320   140.249  171.406   198.609  653.937   198.075  12.430  5.0671 22.798  4.5039 -10.36797      6.779441 
1 1 1 13 1  15 o 14.539  3.6676 354.615   136.834  298.488   197.243  406.688   189.987  13.374  5.1770 15.703  5.1966 -2.328674      7.335299 
1 1 1 13 1  16 o 9.5038  3.0829 114.713   124.962  72.536    151.795  203.402   220.117  8.6898  3.9594 10.318  4.7265 -1.628119      6.165772 
1 1 1 13 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 2  2  o 78.092  21.204 8518.08   3397.01  0.0000    0.0000   8518.08   3397.01  ?       ?      78.092  21.204 ?              ?        
1 1 1 13 2  3  o 62.460  15.774 4885.34   1971.02  0.0000    0.0000   4885.34   1971.02  ?       ?      62.460  15.774 ?              ?        
1 1 1 13 2  4  o 48.814  8.5025 2818.88   825.623  2993.08   1164.40  2642.74   1170.84  50.519  11.747 47.110  12.296 3.408199       17.00496 
1 1 1 13 2  5  o 25.152  4.5459 690.528   229.533  681.862   322.543  699.420   326.716  24.996  6.4187 25.308  6.4391 -0.3128376     9.091822 
1 1 1 13 2  6  o 43.236  8.7647 2736.35   797.692  2839.23   1130.94  2634.49   1125.30  44.202  12.328 42.271  12.462 1.930824       17.52941 
1 1 1 13 2  7  o 38.661  7.1669 1870.66   561.284  1798.05   796.040  1942.46   791.531  37.796  10.265 39.525  10.004 -1.729683      14.33374 
1 1 1 13 2  8  o 38.450  7.6858 2072.69   617.711  2148.35   874.176  1997.24   872.975  39.282  10.794 37.617  10.944 1.664360       15.37160 
1 1 1 13 2  9  o 14.339  3.1430 218.953   94.597   240.403   168.816  209.135   114.212  14.864  4.8976 13.814  3.9407 1.050457       6.286097 
1 1 1 13 2  10 o 24.633  4.3493 738.512   204.613  803.204   356.939  706.849   249.716  24.782  6.9307 24.484  5.2566 0.2976494      8.698681 
1 1 1 13 2  11 o 7.2268  2.3760 -67.2573  75.812   -116.6324 143.664  -48.2012  89.251   7.8182  3.6621 6.6354  3.0283 1.182795       4.751945 
1 1 1 13 2  12 o 21.876  4.1346 571.620   177.550  712.998   303.583  498.122   218.889  23.509  6.3202 20.242  5.3324 3.267155       8.269226 
1 1 1 13 2  13 o 10.415  2.8639 96.132    85.381   103.994   126.575  89.568    115.657  10.684  4.1439 10.146  3.9541 0.5373650      5.727727 
1 1 1 13 2  14 o 18.579  3.8200 491.332   150.833  526.023   213.310  456.641   213.309  19.353  5.3378 17.805  5.4659 1.548166       7.639925 
1 1 1 13 2  15 o 14.984  3.3370 329.670   135.996  597.117   194.931  76.048    189.826  19.941  4.9183 10.026  4.5115 9.915856       6.674081 
1 1 1 13 2  16 o 8.3666  2.7854 18.340    118.876  34.719    182.112  6.1794    156.919  8.6534  4.0753 8.0797  3.7982 0.5737190      5.570801 
1 1 1 13 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 3  3  f 35.110  8.4342 1355.59   584.844  0.0000    0.0000   1355.59   584.844  ?       ?      35.110  8.4342 ?              ?        
1 1 1 13 3  4  o 59.745  15.535 4633.71   1873.70  0.0000    0.0000   4633.71   1873.70  ?       ?      59.745  15.535 ?              ?        
1 1 1 13 3  5  o 39.990  7.0610 1882.18   563.213  1939.73   793.098  1823.63   799.953  40.688  9.8513 39.292  10.118 1.395874       14.12195 
1 1 1 13 3  6  o 25.005  4.7696 726.584   247.256  873.083   351.199  582.603   348.167  27.542  6.4834 22.468  6.9974 5.073874       9.539282 
1 1 1 13 3  7  o 46.383  9.2019 3057.59   891.044  2831.77   1261.90  3282.15   1258.36  44.283  13.231 48.483  12.792 -4.200161      18.40383 
1 1 1 13 3  8  o 40.511  8.5428 2527.34   746.977  2344.51   1057.59  2709.34   1055.18  38.680  12.218 42.341  11.943 -3.661533      17.08563 
1 1 1 13 3  9  o 39.321  6.5323 2007.38   483.412  2695.12   844.283  1671.94   589.631  43.222  9.9700 35.420  8.4428 7.802013       13.06454 
1 1 1 13 3  10 o 22.221  4.0698 626.852   180.125  500.717   314.064  688.680   219.883  19.875  6.6837 24.567  4.6454 -4.692141      8.139516 
1 1 1 13 3  11 o 25.374  3.9787 663.802   200.953  1284.31   355.600  372.666   243.575  33.205  5.3547 17.543  5.8861 15.66174       7.957347 
1 1 1 13 3  12 o 23.395  3.6468 656.331   166.075  684.926   235.405  627.997   234.331  23.984  5.0663 22.805  5.2468 1.179163       7.293566 
1 1 1 13 3  13 o 11.471  2.9722 130.336   90.303   193.923   136.165  80.411    120.654  12.929  4.4006 10.012  3.9961 2.916634       5.944308 
1 1 1 13 3  14 o 9.9270  2.9303 64.284    98.987   159.380   150.512  -8.1999   131.404  11.540  4.5070 8.3137  3.7462 3.226736       5.860616 
1 1 1 13 3  15 o 9.9396  3.0241 91.928    109.003  143.245   160.556  48.052    148.459  10.747  4.4851 9.1318  4.0577 1.615546       6.048241 
1 1 1 13 3  16 o 10.981  3.2540 214.367   123.534  145.646   180.141  275.376   169.732  9.9429  4.4404 12.020  4.7578 -2.076669      6.508005 
1 1 1 13 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 4  4  o 69.677  20.533 7650.35   3055.33  0.0000    0.0000   7650.35   3055.33  ?       ?      69.677  20.533 ?              ?        
1 1 1 13 4  5  o 49.796  13.424 3331.19   1367.35  0.0000    0.0000   3331.19   1367.35  ?       ?      49.796  13.424 ?              ?        
1 1 1 13 4  6  f 23.854  4.6311 656.045   228.487  713.770   317.098  593.709   329.520  24.977  6.3375 22.731  6.7544 2.246149       9.262107 
1 1 1 13 4  7  o 31.237  5.9566 1214.60   380.718  1183.35   536.764  1246.24   540.085  30.804  8.4556 31.671  8.3920 -0.8666382     11.91315 
1 1 1 13 4  8  o 16.979  3.7592 317.976   141.806  318.258   205.528  317.720   195.905  17.000  5.3880 16.959  5.2435 0.4120255E-01  7.518340 
1 1 1 13 4  9  o 28.715  4.8890 1064.56   279.123  755.936   488.333  1214.32   340.168  24.200  8.3314 33.231  5.1182 -9.031134      9.777945 
1 1 1 13 4  10 o 18.432  3.6289 411.326   136.477  339.507   240.276  445.532   165.823  17.022  5.8450 19.841  4.3027 -2.818855      7.257879 
1 1 1 13 4  11 o 19.423  3.8494 439.150   147.807  490.201   264.349  415.931   178.278  19.900  6.0808 18.947  4.7217 0.9527435      7.698723 
1 1 1 13 4  12 o 21.787  3.4386 561.502   146.057  581.633   204.583  540.576   208.586  22.281  4.7369 21.294  4.9857 0.9868221      6.877186 
1 1 1 13 4  13 o 19.237  3.6954 475.677   145.974  501.082   208.232  451.129   204.690  19.780  5.1963 18.693  5.2557 1.087328       7.390795 
1 1 1 13 4  14 o 8.9778  2.7276 48.172    90.972   103.443   123.999  -16.2541  133.874  9.8726  4.0118 8.0830  3.6966 1.789604       5.455252 
1 1 1 13 4  15 o 9.1838  2.7933 31.625    99.826   169.169   144.918  -92.5733  137.708  11.154  4.4023 7.2135  3.4396 3.940682       5.586657 
1 1 1 13 4  16 o 9.6339  3.0137 112.592   118.865  204.524   165.690  15.107    170.620  10.837  4.5420 8.4311  3.9624 2.405661       6.027498 
1 1 1 13 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 5  4  o 40.593  9.9997 1917.90   806.530  0.0000    0.0000   1917.90   806.530  ?       ?      40.593  9.9997 ?              ?        
1 1 1 13 5  5  o 42.032  11.284 2324.50   968.543  0.0000    0.0000   2324.50   968.543  ?       ?      42.032  11.284 ?              ?        
1 1 1 13 5  6  o 46.614  13.602 3273.44   1346.78  0.0000    0.0000   3273.44   1346.78  ?       ?      46.614  13.602 ?              ?        
1 1 1 13 5  7  o 16.807  3.6724 313.242   136.053  290.195   189.776  337.613   195.154  16.255  5.1801 17.359  5.2071 -1.103373      7.344897 
1 1 1 13 5  8  o 25.597  4.2545 820.535   217.958  469.878   378.389  994.653   266.636  20.539  7.3136 30.654  4.3491 -10.11559      8.508994 
1 1 1 13 5  9  o 25.070  4.2392 777.772   210.002  566.755   362.935  883.980   257.483  21.536  7.1851 28.603  4.5010 -7.066542      8.478491 
1 1 1 13 5  10 o 20.747  3.6687 569.176   168.816  209.757   295.165  743.901   205.798  15.290  6.1981 26.203  3.9270 -10.91289      7.337425 
1 1 1 13 5  11 f 19.464  3.8936 443.709   149.919  523.582   269.310  407.842   180.467  20.319  6.1218 18.609  4.8128 1.710112       7.787188 
1 1 1 13 5  12 o 33.327  5.0206 1485.08   324.605  1603.19   459.641  1367.55   458.484  35.067  6.7991 31.586  7.3892 3.481422       10.04130 
1 1 1 13 5  13 o 20.298  3.6845 520.122   150.344  523.320   210.557  516.796   214.741  20.409  5.1565 20.188  5.2642 0.2211914      7.368932 
1 1 1 13 5  14 f 18.664  4.0909 641.689   181.142  847.016   257.632  440.945   254.740  22.447  5.7217 14.881  5.8483 7.565202       8.181763 
1 1 1 13 5  15 o 11.792  3.1787 179.122   116.250  349.743   168.289  23.398    160.774  14.695  4.8922 8.8898  4.0599 5.805318       6.357422 
1 1 1 13 5  16 o 10.769  3.3932 249.186   155.824  133.258   303.569  290.658   181.569  9.7920  4.7743 11.746  4.8231 -1.954181      6.786452 
1 1 1 13 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 6  5  o 38.274  10.522 1974.62   830.395  0.0000    0.0000   1974.62   830.395  ?       ?      38.274  10.522 ?              ?        
1 1 1 13 6  6  o 38.394  10.017 1835.65   777.266  0.0000    0.0000   1835.65   777.266  ?       ?      38.394  10.017 ?              ?        
1 1 1 13 6  7  o 23.236  6.5919 627.313   320.507  0.0000    0.0000   627.313   320.507  ?       ?      23.236  6.5919 ?              ?        
1 1 1 13 6  8  f 39.746  8.3519 2438.50   715.175  2236.51   1006.08  2644.82   1016.83  37.740  11.917 41.752  11.705 -4.011997      16.70384 
1 1 1 13 6  9  o 38.557  7.2344 2195.56   543.422  2798.74   941.397  1894.12   665.496  40.937  11.182 36.177  9.1820 4.759724       14.46870 
1 1 1 13 6  10 o 15.856  3.3203 304.534   112.389  213.085   206.260  343.150   134.034  14.270  5.3484 17.441  3.9360 -3.170643      6.640604 
1 1 1 13 6  11 o 23.795  4.2472 654.446   194.940  1011.33   344.178  485.881   236.540  27.967  6.3041 19.623  5.6933 8.343998       8.494422 
1 1 1 13 6  12 o 15.678  3.1328 290.320   102.585  295.576   143.610  284.843   146.591  15.836  4.3846 15.520  4.4759 0.3153458      6.265652 
1 1 1 13 6  13 o 15.293  3.2338 285.769   107.040  253.118   150.022  319.627   152.771  14.432  4.6064 16.155  4.5399 -1.722953      6.467623 
1 1 1 13 6  14 o 9.8785  2.9102 97.051    96.124   63.197    135.068  131.793   136.829  9.2400  3.9927 10.517  4.2351 -1.277025      5.820479 
1 1 1 13 6  15 o 8.0963  2.5963 20.672    90.604   17.254    135.911  23.406    121.556  8.1879  3.7368 8.0046  3.6054 0.1832943      5.192554 
1 1 1 13 6  16 o 9.1678  2.8559 129.819   106.054  233.155   151.590  30.749    148.427  10.552  4.3770 7.7835  3.6697 2.768552       5.711810 
1 1 1 13 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 7  6  o 39.168  11.073 2161.17   906.026  0.0000    0.0000   2161.17   906.026  ?       ?      39.168  11.073 ?              ?        
1 1 1 13 7  7  o 32.814  9.1177 1415.69   619.846  0.0000    0.0000   1415.69   619.846  ?       ?      32.814  9.1177 ?              ?        
1 1 1 13 7  8  o 30.224  5.6505 1058.74   329.004  0.0000    0.0000   1058.74   329.004  ?       ?      30.224  5.6505 ?              ?        
1 1 1 13 7  9  f 33.730  6.8605 1447.11   447.051  0.0000    0.0000   1447.11   447.051  ?       ?      33.730  6.8605 ?              ?        
1 1 1 13 7  10 o 25.796  4.6313 834.625   229.020  1034.65   398.360  735.875   279.901  27.395  7.1826 24.197  5.8486 3.197952       9.262639 
1 1 1 13 7  11 o 17.816  3.7271 348.919   130.882  464.605   249.532  305.014   153.726  19.378  5.9050 16.254  4.5493 3.124781       7.454204 
1 1 1 13 7  12 o 19.821  4.1434 535.031   171.708  494.668   312.847  552.432   205.412  18.537  6.6448 21.106  4.9515 -2.569893      8.286805 
1 1 1 13 7  13 o 18.719  3.7452 497.429   146.538  483.070   206.271  512.060   208.214  18.412  5.3092 19.025  5.2837 -0.6128540     7.490382 
1 1 1 13 7  14 o 14.084  3.1061 264.047   110.818  98.895    158.865  420.574   154.661  10.393  4.4064 17.775  4.3791 -7.382042      6.212296 
1 1 1 13 7  15 o 8.3120  2.6464 15.520    98.709   -106.3359 144.071  123.327   135.513  6.9609  3.3695 9.6632  4.0818 -2.702302      5.292897 
1 1 1 13 7  16 o 9.5971  3.0851 243.959   128.716  312.377   192.128  188.243   173.378  10.195  4.5671 8.9989  4.1489 1.196333       6.170187 
1 1 1 13 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 8  6  o 26.330  7.1977 835.131   389.887  0.0000    0.0000   835.131   389.887  ?       ?      26.330  7.1977 ?              ?        
1 1 1 13 8  7  o 41.428  12.375 2664.45   1104.00  0.0000    0.0000   2664.45   1104.00  ?       ?      41.428  12.375 ?              ?        
1 1 1 13 8  8  o 13.143  3.6296 187.158   98.554   0.0000    0.0000   187.158   98.554   ?       ?      13.143  3.6296 ?              ?        
1 1 1 13 8  9  o 17.476  4.3723 348.312   152.446  0.0000    0.0000   348.312   152.446  ?       ?      17.476  4.3723 ?              ?        
1 1 1 13 8  10 o 5.2047  1.8036 -92.2908  48.037   -199.1223 114.861  -69.6443  52.884   5.9811  2.9207 4.4283  2.1170 1.552730       3.607269 
1 1 1 13 8  11 f 32.735  5.9989 1792.26   440.043  1170.40   763.806  2101.20   538.367  24.830  10.004 40.639  6.6238 -15.80884      11.99781 
1 1 1 13 8  12 o 15.509  3.0855 287.687   99.761   296.234   140.827  279.078   141.342  15.749  4.3344 15.269  4.3926 0.4794912      6.171042 
1 1 1 13 8  13 o 24.690  4.2801 908.823   214.876  1114.89   302.999  700.343   304.771  28.570  5.5023 20.810  6.5575 7.760027       8.560169 
1 1 1 13 8  14 o 13.711  3.2659 268.449   105.898  280.000   154.561  258.230   145.385  13.915  4.6887 13.507  4.5474 0.4083052      6.531725 
1 1 1 13 8  15 o 9.2462  2.8731 113.772   106.024  189.961   147.796  32.992    152.183  10.340  4.3082 8.1521  3.8022 2.188346       5.746110 
1 1 1 13 8  16 o 10.020  3.1905 271.012   153.508  360.551   181.687  47.626    286.975  11.624  4.8044 8.4164  4.1995 3.208021       6.381039 
1 1 1 13 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 9  7  o 16.050  5.3528 282.750   201.440  0.0000    0.0000   282.750   201.440  ?       ?      16.050  5.3528 ?              ?        
1 1 1 13 9  8  o 22.917  5.0690 609.589   226.172  0.0000    0.0000   609.589   226.172  ?       ?      22.917  5.0690 ?              ?        
1 1 1 13 9  9  o 30.003  6.1538 1119.02   356.875  0.0000    0.0000   1119.02   356.875  ?       ?      30.003  6.1538 ?              ?        
1 1 1 13 9  10 o 27.122  5.8981 920.101   310.819  0.0000    0.0000   920.101   310.819  ?       ?      27.122  5.8981 ?              ?        
1 1 1 13 9  11 o 17.013  4.3991 335.740   150.795  0.0000    0.0000   335.740   150.795  ?       ?      17.013  4.3991 ?              ?        
1 1 1 13 9  12 o 20.120  3.4656 504.549   138.160  498.384   194.051  510.888   196.752  19.999  4.8919 20.241  4.9104 -0.2420254     6.931256 
1 1 1 13 9  13 o 13.809  3.0957 261.021   95.892   265.538   138.332  256.843   133.045  13.885  4.4224 13.733  4.3332 0.1511202      6.191459 
1 1 1 13 9  14 o 16.631  3.6652 447.431   135.652  391.045   186.235  511.158   197.987  15.442  5.1467 17.820  5.2198 -2.378275      7.330409 
1 1 1 13 9  15 o 12.824  3.3890 330.923   127.323  201.496   186.386  444.160   174.339  10.463  4.6024 15.185  4.9758 -4.721414      6.777956 
1 1 1 13 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 10 7  o 9.6682  3.9527 45.268    121.294  0.0000    0.0000   45.268    121.294  ?       ?      9.6682  3.9527 ?              ?        
1 1 1 13 10 8  o 22.515  4.6772 581.796   203.730  0.0000    0.0000   581.796   203.730  ?       ?      22.515  4.6772 ?              ?        
1 1 1 13 10 9  o 29.829  6.1706 1126.28   355.979  0.0000    0.0000   1126.28   355.979  ?       ?      29.829  6.1706 ?              ?        
1 1 1 13 10 10 o 34.840  7.5707 1639.46   512.449  0.0000    0.0000   1639.46   512.449  ?       ?      34.840  7.5707 ?              ?        
1 1 1 13 10 11 o 10.055  3.8876 88.749    111.129  0.0000    0.0000   88.749    111.129  ?       ?      10.055  3.8876 ?              ?        
1 1 1 13 10 12 o 24.511  4.5615 960.120   254.372  563.931   449.990  1146.17   308.368  18.510  7.5956 30.511  5.0533 -12.00173      9.123034 
1 1 1 13 10 13 o 10.435  2.7866 125.969   85.412   40.214    121.575  209.547   120.021  8.5508  3.7402 12.319  4.1318 -3.768369      5.573268 
1 1 1 13 10 14 o 8.2856  2.5761 38.312    82.770   15.958    124.839  55.846    110.565  8.0976  3.6499 8.4735  3.6365 -0.3759089     5.152261 
1 1 1 13 10 15 o 10.451  2.8471 168.860   112.954  297.773   129.926  -230.1463 228.581  13.394  4.2881 7.5079  3.7465 5.886102       5.694156 
1 1 1 13 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 11 8  o 35.992  7.2441 1699.83   503.404  0.0000    0.0000   1699.83   503.404  ?       ?      35.992  7.2441 ?              ?        
1 1 1 13 11 9  o 41.582  9.5873 2638.46   780.996  0.0000    0.0000   2638.46   780.996  ?       ?      41.582  9.5873 ?              ?        
1 1 1 13 11 10 f 9.8281  3.4136 96.795    82.066   0.0000    0.0000   96.795    82.066   ?       ?      9.8281  3.4136 ?              ?        
1 1 1 13 11 11 o 10.370  3.7501 108.700   99.895   0.0000    0.0000   108.700   99.895   ?       ?      10.370  3.7501 ?              ?        
1 1 1 13 11 12 o 11.425  4.2958 152.700   133.268  0.0000    0.0000   152.700   133.268  ?       ?      11.425  4.2958 ?              ?        
1 1 1 13 11 13 o 12.006  3.3960 178.794   112.666  184.016   126.162  158.232   250.367  11.959  4.2268 12.052  5.3164 -0.9247494E-01 6.791899 
1 1 1 13 11 14 o 9.3613  2.9013 100.388   102.295  135.535   112.038  -75.7333  250.797  9.8908  3.8812 8.8318  4.3135 1.058990       5.802587 
1 1 1 13 11 15 o 9.1856  3.0738 177.397   136.262  106.640   161.081  355.423   255.506  8.3451  3.8988 10.026  4.7532 -1.680866      6.147640 
1 1 1 13 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 12 9  o 7.0747  2.9141 20.739    66.547   0.0000    0.0000   20.739    66.547   ?       ?      7.0747  2.9141 ?              ?        
1 1 1 13 12 10 o 6.3994  2.8063 -10.2377  68.825   0.0000    0.0000   -10.2377  68.825   ?       ?      6.3994  2.8063 ?              ?        
1 1 1 13 12 11 o 20.942  4.9391 543.443   203.511  0.0000    0.0000   543.443   203.511  ?       ?      20.942  4.9391 ?              ?        
1 1 1 13 12 12 o 7.4031  3.5771 -156.9805 160.525  0.0000    0.0000   -156.9805 160.525  ?       ?      7.4031  3.5771 ?              ?        
1 1 1 13 12 13 o 10.670  3.2391 112.169   120.151  43.018    150.254  234.810   200.097  9.0800  4.0552 12.260  5.0520 -3.180267      6.478219 
1 1 1 13 12 14 o 9.1945  2.9796 112.472   114.265  101.850   131.675  144.861   229.930  8.8246  3.8754 9.5644  4.5270 -0.7397299     5.959208 
1 1 1 13 12 15 o 6.7660  2.3964 -134.0438 113.396  -166.2948 132.336  -44.9396  219.965  5.8155  2.8936 7.7164  3.8206 -1.900933      4.792728 
1 1 1 13 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 13 9  o 6.8763  3.2926 -157.1913 129.033  0.0000    0.0000   -157.1913 129.033  ?       ?      6.8763  3.2926 ?              ?        
1 1 1 13 13 10 f 18.257  6.1639 453.208   267.121  0.0000    0.0000   453.208   267.121  ?       ?      18.257  6.1639 ?              ?        
1 1 1 13 13 11 o 10.987  4.8445 70.243    207.668  0.0000    0.0000   70.243    207.668  ?       ?      10.987  4.8445 ?              ?        
1 1 1 13 13 12 o 11.645  4.9723 175.456   204.843  0.0000    0.0000   175.456   204.843  ?       ?      11.645  4.9723 ?              ?        
1 1 1 13 13 13 o 6.4592  2.2694 -177.5108 90.884   -184.9781 105.311  -155.7202 179.899  5.3573  2.6510 7.5612  3.6841 -2.203892      4.538756 
1 1 1 13 13 14 o 9.0598  2.9624 70.856    121.924  66.094    149.674  80.248    210.203  8.7448  3.9639 9.3748  4.4034 -0.6299877     5.924774 
1 1 1 13 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 14 10 o 9.9424  4.3038 28.927    157.490  0.0000    0.0000   28.927    157.490  ?       ?      9.9424  4.3038 ?              ?        
1 1 1 13 14 11 o 11.293  4.9558 92.547    215.002  0.0000    0.0000   92.547    215.002  ?       ?      11.293  4.9558 ?              ?        
1 1 1 13 14 12 o 14.559  6.1243 410.824   303.045  0.0000    0.0000   410.824   303.045  ?       ?      14.559  6.1243 ?              ?        
1 1 1 13 14 13 o 7.2910  2.3837 -47.5256  94.185   74.171    108.747  -412.8342 188.412  8.4336  3.6126 6.1484  3.1109 2.285197       4.767425 
1 1 1 13 14 14 o 7.8188  2.6847 38.950    120.058  0.0084    142.814  132.780   221.684  7.1209  3.4239 8.5168  4.1360 -1.395856      5.369346 
1 1 1 13 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 15 10 o 15.592  5.9102 382.532   253.465  0.0000    0.0000   382.532   253.465  ?       ?      15.592  5.9102 ?              ?        
1 1 1 13 15 11 o 8.3503  4.0253 -132.6065 200.415  0.0000    0.0000   -132.6065 200.415  ?       ?      8.3503  4.0253 ?              ?        
1 1 1 13 15 12 o 11.528  5.2277 182.295   260.667  0.0000    0.0000   182.295   260.667  ?       ?      11.528  5.2277 ?              ?        
1 1 1 13 15 13 o 9.1620  2.9838 72.929    115.199  30.496    137.144  174.614   212.305  8.0994  3.7178 10.225  4.6679 -2.125189      5.967559 
1 1 1 13 15 14 o 7.1070  2.4140 -22.5262  99.130   32.408    112.116  -219.3072 212.197  7.3052  3.3563 6.9088  3.4707 0.3963418      4.828088 
1 1 1 13 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 16 11 o 8.8483  4.2293 -97.1363  210.831  0.0000    0.0000   -97.1363  210.831  ?       ?      8.8483  4.2293 ?              ?        
1 1 1 13 16 12 o 8.5967  4.0909 -4.8862   192.767  0.0000    0.0000   -4.8862   192.767  ?       ?      8.5967  4.0909 ?              ?        
1 1 1 13 16 13 o 7.4017  2.4674 14.721    91.707   51.700    102.615  -132.0092 204.405  7.5259  3.3569 7.2775  3.6170 0.2484283      4.934716 
1 1 1 13 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 17 11 o 10.268  4.7884 71.369    241.191  0.0000    0.0000   71.369    241.191  ?       ?      10.268  4.7884 ?              ?        
1 1 1 13 17 12 o 8.3027  3.9942 -29.0512  194.954  0.0000    0.0000   -29.0512  194.954  ?       ?      8.3027  3.9942 ?              ?        
1 1 1 13 17 13 o 7.3665  2.5030 10.786    92.190   34.282    98.481   -155.6918 262.139  7.1111  3.2201 7.6218  3.8328 -0.5106573     5.005931 
1 1 1 13 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 18 12 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 2  o 15.436  4.9058 278.474   170.297  0.0000    0.0000   278.474   170.297  ?       ?      15.436  4.9058 ?              ?        
1 1 1 13 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 19 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 0  o 27.772  11.283 1415.50   614.600  0.0000    0.0000   1415.50   614.600  27.772  11.283 27.772  11.283 0.000000       0.000000 
1 1 1 13 20 1  o 24.034  5.3750 886.823   289.465  908.384   411.104  865.622   407.648  24.339  7.6075 23.729  7.5953 0.6098537      10.75000 
1 1 1 13 20 2  o 22.362  7.0807 756.215   355.013  0.0000    0.0000   756.215   355.013  ?       ?      22.362  7.0807 ?              ?        
1 1 1 13 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 20 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 21 0  o 7.1505  4.3368 61.279    114.999  0.0000    0.0000   61.279    114.999  7.1505  4.3368 7.1505  4.3368 0.000000       0.000000 
1 1 1 13 21 1  o 10.653  2.8235 106.041   85.621   32.520    128.355  164.984   114.927  9.2481  3.9421 12.058  4.0432 -2.810060      5.646945 
1 1 1 13 21 2  o 18.584  4.2265 468.617   178.459  454.004   260.324  481.573   245.119  18.236  6.0853 18.932  5.8672 -0.6961498     8.453080 
1 1 1 13 21 3  o 12.763  4.8400 178.511   170.031  178.511   170.031  0.0000    0.0000   12.763  4.8400 ?       ?      ?              ?        
1 1 1 13 21 4  o 9.1074  4.1298 -7.4366   162.634  -7.4366   162.634  0.0000    0.0000   9.1074  4.1298 ?       ?      ?              ?        
1 1 1 13 21 5  o 6.9985  3.3886 -168.9617 145.932  -168.9617 145.932  0.0000    0.0000   6.9985  3.3886 ?       ?      ?              ?        
1 1 1 13 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 21 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 21 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 21 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 21 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 13 22 0  o 12.002  6.0991 267.180   183.303  0.0000    0.0000   267.180   183.303  12.002  6.0991 12.002  6.0991 0.000000       0.000000 
1 1 1 13 22 1  o 11.611  3.0871 146.548   100.015  226.751   147.769  78.747    135.865  13.263  4.5821 9.9592  4.1385 3.304047       6.174299 
1 1 1 13 22 2  o 16.585  4.0478 400.478   163.038  452.787   239.886  355.571   222.263  17.432  5.8414 15.738  5.6051 1.693747       8.095670 
1 1 1 13 22 3  o 14.132  3.6626 299.988   135.960  275.687   210.281  317.446   178.225  13.584  5.3211 14.680  5.0344 -1.095733      7.325216 
1 1 1 13 22 4  o 7.4966  3.5398 -68.8725  139.067  -68.8725  139.067  0.0000    0.0000   7.4966  3.5398 ?       ?      ?              ?        
1 1 1 13 22 5  o 17.073  6.5931 571.839   319.302  571.839   319.302  0.0000    0.0000   17.073  6.5931 ?       ?      ?              ?        
1 1 1 13 22 6  o 14.645  6.2283 487.128   319.074  487.128   319.074  0.0000    0.0000   14.645  6.2283 ?       ?      ?              ?        
1 1 1 13 22 7  o 14.263  6.3772 672.406   372.744  672.406   372.744  0.0000    0.0000   14.263  6.3772 ?       ?      ?              ?        
1 1 1 13 22 8  o 10.388  4.8765 240.301   257.107  240.301   257.107  0.0000    0.0000   10.388  4.8765 ?       ?      ?              ?        
1 1 1 13 22 9  o 7.0130  3.5338 -203.7191 229.091  -203.7191 229.091  0.0000    0.0000   7.0130  3.5338 ?       ?      ?              ?        
1 1 1 13 23 0  o 16.276  7.9200 601.799   302.885  0.0000    0.0000   601.799   302.885  16.276  7.9200 16.276  7.9200 0.000000       0.000000 
1 1 1 13 23 1  o 18.196  5.3275 980.383   317.141  1036.54   451.528  925.706   445.541  18.700  7.6336 17.692  7.4333 1.008202       10.65491 
1 1 1 13 23 2  o 10.616  3.0336 124.713   97.795   141.878   156.634  113.747   125.194  11.031  4.4987 10.200  4.0708 0.8304443      6.067135 
1 1 1 13 23 3  o 8.3635  2.6055 21.212    79.705   26.897    142.430  18.620    96.174   9.0030  3.9887 7.7239  3.3533 1.279123       5.210974 
1 1 1 13 23 4  o 11.437  4.8402 179.094   191.126  179.094   191.126  0.0000    0.0000   11.437  4.8402 ?       ?      ?              ?        
1 1 1 13 23 5  o 10.690  4.7033 135.914   194.719  135.914   194.719  0.0000    0.0000   10.690  4.7033 ?       ?      ?              ?        
1 1 1 13 23 6  o 6.6041  3.3275 -377.3420 202.844  -377.3420 202.844  0.0000    0.0000   6.6041  3.3275 ?       ?      ?              ?        
1 1 1 13 23 7  o 13.043  6.0416 662.471   374.063  662.471   374.063  0.0000    0.0000   13.043  6.0416 ?       ?      ?              ?        
1 1 1 13 23 8  o 8.6319  4.2251 142.570   244.580  142.570   244.580  0.0000    0.0000   8.6319  4.2251 ?       ?      ?              ?        
1 1 1 13 24 0  o 17.831  9.1049 869.153   409.627  0.0000    0.0000   869.153   409.627  17.831  9.1049 17.831  9.1049 0.000000       0.000000 
1 1 1 13 24 1  o 11.706  3.3573 194.439   122.115  228.999   181.937  166.105   164.735  12.251  4.9012 11.160  4.5895 1.091602       6.714528 
1 1 1 13 24 2  o 8.9609  2.7998 45.836    92.236   84.312    164.352  28.146    111.440  9.8312  4.3232 8.0906  3.5588 1.740538       5.599598 
1 1 1 13 24 3  o 10.910  3.2020 171.393   113.865  167.283   182.552  174.011   145.676  10.858  4.6667 10.963  4.3856 -0.1045046     6.404033 
1 1 1 13 24 4  o 12.637  5.5767 394.348   275.755  394.348   275.755  0.0000    0.0000   12.637  5.5767 ?       ?      ?              ?        
1 1 1 13 24 5  o 6.9278  3.4176 -145.4411 170.359  -145.4411 170.359  0.0000    0.0000   6.9278  3.4176 ?       ?      ?              ?        
1 1 1 13 24 6  o 9.4489  4.4237 96.133    209.203  96.133    209.203  0.0000    0.0000   9.4489  4.4237 ?       ?      ?              ?        
1 1 1 13 24 7  o 10.151  5.0684 795.994   420.848  795.994   420.848  0.0000    0.0000   10.151  5.0684 ?       ?      ?              ?        
1 1 1 13 25 0  o 7.2941  4.6258 91.397    146.173  0.0000    0.0000   91.397    146.173  7.2941  4.6258 7.2941  4.6258 0.000000       0.000000 
1 1 1 13 25 1  o 10.426  3.1761 189.782   121.244  153.668   176.547  222.018   166.799  9.9048  4.4117 10.947  4.5702 -1.042205      6.352139 
1 1 1 13 25 2  o 9.8525  3.0923 167.153   119.963  182.059   193.959  157.919   152.667  9.9622  4.5144 9.7429  4.2274 0.2192850      6.184686 
1 1 1 13 25 3  o 12.366  3.8648 426.646   186.345  583.430   285.733  310.611   245.813  13.513  5.8231 11.219  5.0832 2.293349       7.729693 
1 1 1 13 25 4  o 10.923  4.8834 235.310   218.529  235.310   218.529  0.0000    0.0000   10.923  4.8834 ?       ?      ?              ?        
1 1 1 13 25 5  o 9.2717  4.4784 226.671   251.055  226.671   251.055  0.0000    0.0000   9.2717  4.4784 ?       ?      ?              ?        
1 1 1 13 25 6  o 9.9269  4.7938 321.997   287.242  321.997   287.242  0.0000    0.0000   9.9269  4.7938 ?       ?      ?              ?        
1 1 1 13 26 0  o 9.5611  5.6759 240.001   188.906  0.0000    0.0000   240.001   188.906  9.5611  5.6759 9.5611  5.6759 0.000000       0.000000 
1 1 1 13 26 1  o 9.4437  3.0126 145.653   122.363  98.636    188.516  179.883   160.853  8.9659  4.1982 9.9214  4.3219 -0.9554081     6.025246 
1 1 1 13 26 2  o 8.7445  2.8796 98.774    118.846  250.572   190.983  2.8442    151.824  10.049  4.5234 7.4398  3.5648 2.609381       5.759233 
1 1 1 13 26 3  o 8.2626  2.7818 74.995    113.712  285.601   203.106  -21.1574  137.236  9.7194  4.4844 6.8059  3.2931 2.913586       5.563605 
1 1 1 13 26 4  o 9.1399  4.3800 168.262   229.383  168.262   229.383  0.0000    0.0000   9.1399  4.3800 ?       ?      ?              ?        
1 1 1 14 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 1  2  o 53.683  13.157 3438.01   1401.60  0.0000    0.0000   3438.01   1401.60  ?       ?      53.683  13.157 ?              ?        
1 1 1 14 1  3  o 45.350  7.8507 2405.95   706.319  2385.74   995.987  2426.40   1001.81  45.153  11.106 45.547  11.099 -0.3933487     15.70132 
1 1 1 14 1  4  o 43.434  7.6734 2252.05   665.330  2372.96   938.630  2129.96   943.223  44.753  10.642 42.114  11.057 2.639179       15.34679 
1 1 1 14 1  5  o 37.950  7.1197 1843.17   551.308  1670.77   780.592  2014.76   778.748  35.911  10.320 39.990  9.8108 -4.078957      14.23947 
1 1 1 14 1  6  o 31.817  5.8996 1210.66   380.440  1144.06   539.732  1276.42   536.331  30.863  8.4819 32.771  8.2023 -1.907946      11.79918 
1 1 1 14 1  7  o 34.997  7.0228 1707.51   515.263  1813.16   730.974  1603.17   726.431  36.245  9.8337 33.749  10.029 2.496136       14.04556 
1 1 1 14 1  8  o 30.564  5.8538 1171.67   371.418  1385.88   526.732  959.833   523.808  33.596  7.9611 27.532  8.5842 6.064034       11.70756 
1 1 1 14 1  9  o 30.260  4.7835 1036.47   272.426  1472.77   471.559  817.904   333.758  34.562  7.0605 25.958  6.4557 8.604036       9.566978 
1 1 1 14 1  10 o 20.390  3.9572 502.086   160.421  505.907   280.317  500.225   195.621  20.049  6.2843 20.731  4.8108 -0.6820145     7.914367 
1 1 1 14 1  11 o 27.419  5.1341 1072.10   282.888  960.698   489.898  1127.82   346.494  24.809  8.3476 30.029  5.9795 -5.219675      10.26825 
1 1 1 14 1  12 o 24.594  4.6391 852.680   237.739  612.325   415.088  970.016   290.020  20.731  7.6218 28.456  5.2907 -7.724373      9.278108 
1 1 1 14 1  13 o 24.794  4.8898 816.577   239.424  1150.34   424.634  661.013   289.900  27.641  7.4933 21.948  6.2841 5.693024       9.779547 
1 1 1 14 1  14 o 15.743  3.7657 419.216   142.805  500.204   206.871  345.492   197.376  17.246  5.3975 14.239  5.2525 3.006544       7.531425 
1 1 1 14 1  15 o 9.7664  2.9901 101.524   106.914  105.208   162.649  98.721    141.870  9.9098  4.3306 9.6230  4.1242 0.2868452      5.980265 
1 1 1 14 1  16 o 10.944  3.4033 271.108   150.492  314.505   186.279  189.561   255.353  11.903  4.8861 9.9849  4.7389 1.918050       6.806699 
1 1 1 14 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 2  2  o 54.763  13.585 3637.81   1480.76  0.0000    0.0000   3637.81   1480.76  ?       ?      54.763  13.585 ?              ?        
1 1 1 14 2  3  o 64.198  17.557 5772.61   2319.21  0.0000    0.0000   5772.61   2319.21  ?       ?      64.198  17.557 ?              ?        
1 1 1 14 2  4  o 39.646  6.9811 1841.16   551.839  1923.54   777.110  1757.36   783.769  40.645  9.6955 38.646  10.047 1.998009       13.96229 
1 1 1 14 2  5  o 40.646  7.7992 2255.16   658.740  1872.48   927.058  2645.44   936.209  36.548  11.424 44.744  10.621 -8.195759      15.59843 
1 1 1 14 2  6  o 26.672  4.9997 814.933   271.109  789.305   382.968  840.679   383.845  26.240  7.1172 27.103  7.0237 -0.8629684     9.999387 
1 1 1 14 2  7  o 17.037  3.6887 319.386   140.602  235.192   203.336  396.526   194.631  15.245  5.3685 18.828  5.0601 -3.582363      7.377329 
1 1 1 14 2  8  o 22.624  4.5738 596.417   217.343  594.964   307.218  597.874   307.521  22.598  6.4688 22.651  6.4678 -0.5333519E-01 9.147525 
1 1 1 14 2  9  o 35.072  6.1259 1651.07   409.892  1807.51   713.192  1573.90   500.880  34.805  9.8190 35.338  7.3275 -0.5321999     12.25172 
1 1 1 14 2  10 o 30.078  5.0192 1087.99   286.934  1647.00   502.439  817.439   349.539  35.199  7.3732 24.957  6.8122 10.24278       10.03846 
1 1 1 14 2  11 o 21.497  4.1172 523.467   175.910  844.477   310.508  371.743   213.471  25.638  6.1372 17.357  5.4901 8.281586       8.234462 
1 1 1 14 2  12 o 18.739  3.9001 446.475   153.931  373.032   275.712  479.734   185.540  17.305  6.2343 20.173  4.6880 -2.867649      7.800279 
1 1 1 14 2  13 o 17.964  3.7628 359.696   142.679  622.444   249.359  231.802   173.972  21.882  5.6565 14.047  4.9636 7.835236       7.525528 
1 1 1 14 2  14 o 13.244  3.2015 251.697   112.600  115.224   159.639  386.813   158.844  10.304  4.3945 16.183  4.6569 -5.879006      6.402980 
1 1 1 14 2  15 o 12.721  3.4535 277.043   123.495  260.021   173.384  294.572   175.941  12.401  4.8390 13.041  4.9286 -0.6391087     6.907037 
1 1 1 14 2  16 f 10.236  3.2154 212.069   131.599  242.988   191.421  184.358   181.217  10.574  4.6573 9.8975  4.4345 0.6763821      6.430784 
1 1 1 14 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 3  3  o 37.263  9.0908 1578.46   671.484  0.0000    0.0000   1578.46   671.484  ?       ?      37.263  9.0908 ?              ?        
1 1 1 14 3  4  o 28.814  7.2957 930.432   420.855  0.0000    0.0000   930.432   420.855  ?       ?      28.814  7.2957 ?              ?        
1 1 1 14 3  5  o 42.044  8.5570 2580.91   758.611  2624.44   1069.86  2536.89   1075.84  42.516  12.037 41.571  12.165 0.9444809      17.11398 
1 1 1 14 3  6  o 39.918  7.4363 2019.36   601.963  2017.55   848.443  2021.19   854.195  39.921  10.490 39.915  10.543 0.6668091E-02  14.87257 
1 1 1 14 3  7  o 22.096  4.3623 561.205   202.064  645.555   281.508  471.556   290.214  23.793  5.9355 20.399  6.3944 3.393856       8.724566 
1 1 1 14 3  8  o 18.811  3.8239 394.415   163.876  191.227   235.984  583.666   227.748  14.817  5.6820 22.805  5.1190 -7.987577      7.647801 
1 1 1 14 3  9  o 27.513  4.7596 929.641   247.704  1014.00   436.505  889.572   300.832  27.596  7.6454 27.429  5.6712 0.1678410      9.519195 
1 1 1 14 3  10 o 12.769  3.1134 172.232   90.248   162.311   174.510  175.854   105.443  12.930  4.9034 12.607  3.8379 0.3236847      6.226741 
1 1 1 14 3  11 f 17.303  3.6963 341.783   130.753  445.074   235.818  295.932   157.115  18.769  5.7446 15.838  4.6530 2.931138       7.392651 
1 1 1 14 3  12 o 20.747  4.0856 577.499   175.956  461.157   309.925  632.835   213.744  18.471  6.6145 23.024  4.7975 -4.553001      8.171143 
1 1 1 14 3  13 o 14.102  3.5134 247.842   126.868  107.469   244.916  299.322   148.318  12.544  5.3985 15.661  4.4980 -3.116859      7.026807 
1 1 1 14 3  14 o 17.147  3.6594 466.735   145.950  643.106   209.510  300.446   203.433  20.718  5.0922 13.575  5.2568 7.143728       7.318806 
1 1 1 14 3  15 o 10.903  3.2241 178.004   120.030  239.617   168.669  114.790   170.848  11.901  4.7327 9.9057  4.3795 1.994809       6.448158 
1 1 1 14 3  16 o 8.4064  2.7962 50.974    116.821  198.154   186.597  -43.8989  149.813  9.6963  4.4071 7.1165  3.4427 2.579751       5.592407 
1 1 1 14 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 4  4  o 23.240  6.1484 599.110   290.198  0.0000    0.0000   599.110   290.198  ?       ?      23.240  6.1484 ?              ?        
1 1 1 14 4  5  o 21.453  6.0849 520.733   273.124  0.0000    0.0000   520.733   273.124  ?       ?      21.453  6.0849 ?              ?        
1 1 1 14 4  6  o 25.288  6.8056 729.549   351.782  0.0000    0.0000   729.549   351.782  ?       ?      25.288  6.8056 ?              ?        
1 1 1 14 4  7  o 28.869  5.5423 1022.50   328.990  1103.85   465.811  941.531   464.714  30.105  7.7044 27.633  7.9693 2.471807       11.08456 
1 1 1 14 4  8  o 26.559  5.2511 894.358   295.616  1088.56   417.862  699.782   418.267  29.650  7.1333 23.469  7.7079 6.181562       10.50216 
1 1 1 14 4  9  o 16.815  3.2365 354.352   119.337  153.383   210.228  449.898   144.955  13.398  5.2977 20.232  3.7193 -6.834693      6.472921 
1 1 1 14 4  10 o 17.928  3.6797 363.701   131.560  473.909   238.081  315.256   157.848  19.461  5.7307 16.395  4.6173 3.065716       7.359436 
1 1 1 14 4  11 o 16.385  2.7781 339.283   125.817  -193.8363 227.361  574.603   151.054  9.5270  4.5070 23.244  3.2493 -13.71697      5.556158 
1 1 1 14 4  12 o 19.189  3.7531 425.104   147.448  684.280   251.244  288.942   182.107  23.080  5.5177 15.299  5.0889 7.781720       7.506099 
1 1 1 14 4  13 o 18.139  4.0212 492.992   171.347  332.219   305.194  566.996   207.061  15.411  6.2817 20.867  5.0221 -5.455986      8.042482 
1 1 1 14 4  14 o 15.397  3.5557 352.824   130.437  463.999   188.776  251.255   180.437  17.679  5.0737 13.116  4.9830 4.563647       7.111392 
1 1 1 14 4  15 o 9.0640  2.7204 61.703    97.437   -99.6830  149.000  182.283   128.792  7.1713  3.4604 10.957  4.1986 -3.785484      5.440834 
1 1 1 14 4  16 o 8.9044  2.9263 162.218   125.225  142.268   169.960  185.910   185.210  8.7047  4.0460 9.1040  4.2289 -0.3992968     5.852688 
1 1 1 14 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 5  4  o 26.428  7.0853 811.825   382.160  0.0000    0.0000   811.825   382.160  ?       ?      26.428  7.0853 ?              ?        
1 1 1 14 5  5  o 41.491  11.405 2341.37   975.716  0.0000    0.0000   2341.37   975.716  ?       ?      41.491  11.405 ?              ?        
1 1 1 14 5  6  o 30.327  8.3665 1168.37   523.971  0.0000    0.0000   1168.37   523.971  ?       ?      30.327  8.3665 ?              ?        
1 1 1 14 5  7  o 30.037  8.3680 1150.71   521.384  0.0000    0.0000   1150.71   521.384  ?       ?      30.037  8.3680 ?              ?        
1 1 1 14 5  8  o 22.489  4.5931 613.152   219.645  519.167   304.207  715.509   317.467  20.720  6.5538 24.258  6.4370 -3.538364      9.186275 
1 1 1 14 5  9  o 25.704  4.4964 878.147   234.209  630.909   408.467  999.244   285.869  21.593  7.6083 29.814  4.7942 -8.221004      8.992829 
1 1 1 14 5  10 o 10.324  2.7796 95.810    78.002   21.015    150.700  123.180   91.164   9.8423  4.2353 10.805  3.6009 -0.9626608     5.559111 
1 1 1 14 5  11 o 27.822  4.9574 1101.26   288.833  729.923   507.824  1278.82   351.166  22.390  8.3921 33.255  5.2799 -10.86529      9.914842 
1 1 1 14 5  12 o 15.922  3.6594 267.024   125.614  484.339   235.154  180.255   148.590  19.130  5.7108 12.715  4.5772 6.415055       7.318705 
1 1 1 14 5  13 o 19.543  4.3549 644.772   194.681  570.446   342.360  680.292   236.671  17.349  6.7914 21.737  5.4532 -4.387655      8.709760 
1 1 1 14 5  14 o 7.8114  2.5475 -58.2104  97.644   -338.2994 195.706  34.623    112.670  7.1476  3.5502 8.4751  3.6544 -1.327454      5.094979 
1 1 1 14 5  15 o 9.1513  2.8393 69.155    107.205  191.641   149.219  -61.5150  154.123  10.798  4.3959 7.5045  3.5947 3.293689       5.678543 
1 1 1 14 5  16 o 7.5582  2.5730 38.192    113.670  56.859    174.731  24.495    149.671  7.7752  3.7507 7.3412  3.5233 0.4340453      5.146045 
1 1 1 14 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 6  5  o 19.002  5.4684 393.145   219.020  0.0000    0.0000   393.145   219.020  ?       ?      19.002  5.4684 ?              ?        
1 1 1 14 6  6  o 15.701  5.0010 266.500   176.896  0.0000    0.0000   266.500   176.896  ?       ?      15.701  5.0010 ?              ?        
1 1 1 14 6  7  o 21.278  6.2496 521.838   283.476  0.0000    0.0000   521.838   283.476  ?       ?      21.278  6.2496 ?              ?        
1 1 1 14 6  8  o 23.481  6.7514 669.256   333.980  0.0000    0.0000   669.256   333.980  ?       ?      23.481  6.7514 ?              ?        
1 1 1 14 6  9  o 12.575  3.0883 168.453   92.985   98.615    177.647  194.807   109.129  11.886  4.8119 13.264  3.8724 -1.377818      6.176594 
1 1 1 14 6  10 o 21.598  4.1568 564.832   175.320  613.451   314.912  542.994   211.051  21.725  6.6366 21.470  5.0071 0.2554054      8.313562 
1 1 1 14 6  11 o 31.510  5.9812 1589.30   396.176  1262.82   692.149  1748.37   483.150  26.356  9.8134 36.663  6.8407 -10.30664      11.96234 
1 1 1 14 6  12 o 13.589  3.4256 215.417   114.791  152.339   217.854  239.661   135.061  12.950  5.2962 14.227  4.3463 -1.277138      6.851284 
1 1 1 14 6  13 o 22.497  4.5045 926.385   260.719  399.382   450.204  1192.31   319.803  15.678  7.0095 29.316  5.6594 -13.63746      9.008985 
1 1 1 14 6  14 f 10.249  2.9659 112.386   96.438   109.306   144.389  114.867   129.577  10.274  4.2675 10.225  4.1200 0.4915714E-01  5.931776 
1 1 1 14 6  15 o 9.1115  2.8476 84.641    107.460  -36.7081  148.343  218.632   155.878  7.4188  3.5464 10.804  4.4563 -3.385478      5.695266 
1 1 1 14 6  16 o 11.167  2.7415 139.018   109.912  -223.6185 152.986  525.890   158.015  5.8940  2.9590 16.441  4.6161 -10.54679      5.483069 
1 1 1 14 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 7  6  o 13.064  4.7052 160.325   157.040  0.0000    0.0000   160.325   157.040  ?       ?      13.064  4.7052 ?              ?        
1 1 1 14 7  7  o 36.814  10.801 2006.28   847.131  0.0000    0.0000   2006.28   847.131  ?       ?      36.814  10.801 ?              ?        
1 1 1 14 7  8  o 37.810  13.862 3327.02   1371.74  0.0000    0.0000   3327.02   1371.74  ?       ?      37.810  13.862 ?              ?        
1 1 1 14 7  9  o 14.948  3.1763 270.109   103.719  142.312   201.241  316.336   121.033  13.019  5.1720 16.878  3.6886 -3.858973      6.352582 
1 1 1 14 7  10 o 23.297  4.3254 692.425   198.684  637.872   347.277  718.969   242.246  21.855  7.0120 24.740  5.0664 -2.884874      8.650774 
1 1 1 14 7  11 o 10.592  2.9050 96.323    87.111   -34.1097  180.842  135.732   99.403   9.8856  4.4295 11.298  3.7598 -1.412486      5.810035 
1 1 1 14 7  12 o 19.659  4.2768 548.314   183.564  483.017   329.564  577.684   221.024  18.077  6.7635 21.240  5.2362 -3.163073      8.553555 
1 1 1 14 7  13 o 11.433  3.2881 144.449   113.487  90.545    221.354  163.671   132.181  11.252  4.9795 11.613  4.2955 -0.3604279     6.576182 
1 1 1 14 7  14 o 11.546  3.1233 181.526   101.788  129.498   138.424  242.780   150.196  10.353  4.2265 12.738  4.5996 -2.384684      6.246589 
1 1 1 14 7  15 o 9.5510  2.9462 143.073   106.758  115.631   155.399  167.601   146.915  9.1606  4.1052 9.9414  4.2271 -0.7808170     5.892484 
1 1 1 14 7  16 o 9.9879  3.1052 208.797   127.526  74.475    184.609  331.396   176.370  8.3871  3.9945 11.589  4.7554 -3.201570      6.210449 
1 1 1 14 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 8  6  o 24.782  6.8664 733.113   352.066  0.0000    0.0000   733.113   352.066  ?       ?      24.782  6.8664 ?              ?        
1 1 1 14 8  7  o 20.855  6.2752 520.272   283.105  0.0000    0.0000   520.272   283.105  ?       ?      20.855  6.2752 ?              ?        
1 1 1 14 8  8  o 13.330  4.9572 175.835   176.512  0.0000    0.0000   175.835   176.512  ?       ?      13.330  4.9572 ?              ?        
1 1 1 14 8  9  o 30.149  6.4818 1171.31   379.217  0.0000    0.0000   1171.31   379.217  ?       ?      30.149  6.4818 ?              ?        
1 1 1 14 8  10 o 17.655  3.8113 365.159   138.486  431.820   252.230  336.392   165.694  18.453  5.9817 16.856  4.7249 1.596979       7.622678 
1 1 1 14 8  11 f 21.615  3.7936 666.247   191.301  167.714   343.331  890.712   230.377  14.914  6.4045 28.316  4.0679 -13.40249      7.587215 
1 1 1 14 8  12 o 19.038  3.7257 500.166   155.345  283.813   275.821  600.677   187.997  15.435  6.0792 22.642  4.3090 -7.207036      7.451470 
1 1 1 14 8  13 o 6.9776  2.2000 -33.4239  66.427   -119.0246 91.145   63.559    97.015   5.4624  2.6526 8.4928  3.5104 -3.030405      4.399907 
1 1 1 14 8  14 f 10.995  3.1199 161.835   104.714  148.701   147.480  175.189   148.702  10.736  4.3704 11.254  4.4537 -0.5177622     6.239867 
1 1 1 14 8  15 f 8.5344  2.7287 55.383    99.565   52.496    139.564  58.376    142.081  8.4796  3.8371 8.5893  3.8806 -0.1097012     5.457329 
1 1 1 14 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 9  7  o 23.015  6.7654 651.431   332.073  0.0000    0.0000   651.431   332.073  ?       ?      23.015  6.7654 ?              ?        
1 1 1 14 9  8  o 6.2173  2.7682 -21.8203  69.445   0.0000    0.0000   -21.8203  69.445   ?       ?      6.2173  2.7682 ?              ?        
1 1 1 14 9  9  o 26.014  5.4010 810.636   271.804  0.0000    0.0000   810.636   271.804  ?       ?      26.014  5.4010 ?              ?        
1 1 1 14 9  10 o 12.394  3.8356 168.266   104.798  0.0000    0.0000   168.266   104.798  ?       ?      12.394  3.8356 ?              ?        
1 1 1 14 9  11 o 17.884  3.5892 438.277   144.207  230.127   254.746  536.432   174.934  14.416  5.7881 21.351  4.2460 -6.935401      7.178459 
1 1 1 14 9  12 o 17.129  3.2081 433.840   142.067  32.672    263.309  598.581   168.735  11.517  5.2348 22.741  3.7100 -11.22362      6.416208 
1 1 1 14 9  13 o 7.9679  2.4936 13.101    78.651   28.404    105.943  -5.6891   117.395  8.1002  3.5181 7.8356  3.5349 0.2646565      4.987221 
1 1 1 14 9  14 o 9.5821  2.7085 75.452    89.778   -64.6062  124.577  226.791   129.497  6.9878  3.3146 12.176  4.2846 -5.188602      5.417048 
1 1 1 14 9  15 f 11.367  3.3281 276.978   126.215  213.088   180.718  337.819   176.353  10.335  4.5393 12.400  4.8682 -2.064761      6.656194 
1 1 1 14 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 10 7  o 19.878  6.1062 488.244   266.163  0.0000    0.0000   488.244   266.163  ?       ?      19.878  6.1062 ?              ?        
1 1 1 14 10 8  o 20.996  4.5659 509.812   186.274  0.0000    0.0000   509.812   186.274  ?       ?      20.996  4.5659 ?              ?        
1 1 1 14 10 9  o 26.602  5.7897 873.530   299.285  0.0000    0.0000   873.530   299.285  ?       ?      26.602  5.7897 ?              ?        
1 1 1 14 10 10 o 26.689  5.6666 875.772   293.125  0.0000    0.0000   875.772   293.125  ?       ?      26.689  5.6666 ?              ?        
1 1 1 14 10 11 o 28.829  6.8435 1185.55   388.677  0.0000    0.0000   1185.55   388.677  ?       ?      28.829  6.8435 ?              ?        
1 1 1 14 10 12 o 16.629  3.5039 409.516   139.592  187.650   253.602  505.958   167.202  13.064  5.5542 20.194  4.2732 -7.130524      7.007775 
1 1 1 14 10 13 o 9.9902  2.6461 100.739   78.624   180.968   106.905  6.2191    116.037  11.929  3.8958 8.0516  3.5821 3.877252       5.292282 
1 1 1 14 10 14 o 6.4124  2.1789 -82.2492  81.527   -73.3701  115.649  -91.0211  114.948  6.5098  3.1171 6.3150  3.0453 0.1948090      4.357749 
1 1 1 14 10 15 o 8.6870  2.8074 147.106   110.157  207.516   156.633  87.987    154.951  9.3932  4.1711 7.9808  3.7587 1.412385       5.614802 
1 1 1 14 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 11 8  o 19.050  4.4813 421.030   167.877  0.0000    0.0000   421.030   167.877  ?       ?      19.050  4.4813 ?              ?        
1 1 1 14 11 9  o 14.137  4.2103 225.617   127.930  0.0000    0.0000   225.617   127.930  ?       ?      14.137  4.2103 ?              ?        
1 1 1 14 11 10 o 9.3453  3.4867 79.380    87.460   0.0000    0.0000   79.380    87.460   ?       ?      9.3453  3.4867 ?              ?        
1 1 1 14 11 11 o 26.588  5.9278 925.698   307.181  0.0000    0.0000   925.698   307.181  ?       ?      26.588  5.9278 ?              ?        
1 1 1 14 11 12 o 15.391  4.7246 347.778   159.376  0.0000    0.0000   347.778   159.376  ?       ?      15.391  4.7246 ?              ?        
1 1 1 14 11 13 o 6.5510  2.1070 -24.1468  60.063   -49.8496  79.687   9.6625    91.394   5.8493  2.7359 7.2526  3.2050 -1.403288      4.213934 
1 1 1 14 11 14 o 8.8765  2.6737 71.580    93.080   214.528   131.931  -70.0952  131.342  10.994  4.2400 6.7592  3.2584 4.234482       5.347433 
1 1 1 14 11 15 o 8.7359  2.8539 120.232   118.124  152.151   129.772  -34.0160  285.278  9.2438  3.9526 8.2279  4.1178 1.015821       5.707822 
1 1 1 14 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 12 8  o 16.622  5.0619 330.122   183.404  0.0000    0.0000   330.122   183.404  ?       ?      16.622  5.0619 ?              ?        
1 1 1 14 12 9  o 14.684  3.7063 242.962   108.853  0.0000    0.0000   242.962   108.853  ?       ?      14.684  3.7063 ?              ?        
1 1 1 14 12 10 o 20.083  4.5640 484.298   179.159  0.0000    0.0000   484.298   179.159  ?       ?      20.083  4.5640 ?              ?        
1 1 1 14 12 11 o 7.2107  3.2713 -27.9180  102.204  0.0000    0.0000   -27.9180  102.204  ?       ?      7.2107  3.2713 ?              ?        
1 1 1 14 12 12 o 12.725  4.4572 225.570   140.058  0.0000    0.0000   225.570   140.058  ?       ?      12.725  4.4572 ?              ?        
1 1 1 14 12 13 o 10.994  4.0719 170.299   118.860  0.0000    0.0000   170.299   118.860  ?       ?      10.994  4.0719 ?              ?        
1 1 1 14 12 14 o 9.9280  3.2078 123.078   117.020  90.723    129.329  269.180   274.827  8.8823  3.8721 10.974  5.1154 -2.091554      6.415673 
1 1 1 14 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 13 9  o 34.269  7.8658 1734.37   527.693  0.0000    0.0000   1734.37   527.693  ?       ?      34.269  7.8658 ?              ?        
1 1 1 14 13 10 o 23.819  5.0607 705.372   233.639  0.0000    0.0000   705.372   233.639  ?       ?      23.819  5.0607 ?              ?        
1 1 1 14 13 11 o 14.194  4.1542 256.110   125.447  0.0000    0.0000   256.110   125.447  ?       ?      14.194  4.1542 ?              ?        
1 1 1 14 13 12 o 18.732  5.4037 552.080   213.635  0.0000    0.0000   552.080   213.635  ?       ?      18.732  5.4037 ?              ?        
1 1 1 14 13 13 o 11.020  5.0240 250.373   244.795  0.0000    0.0000   250.373   244.795  ?       ?      11.020  5.0240 ?              ?        
1 1 1 14 13 14 o 8.0415  2.6679 77.981    118.587  152.662   133.840  -194.7866 255.785  8.9000  3.9078 7.1829  3.6332 1.717194       5.335839 
1 1 1 14 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 14 10 o 8.8594  4.0300 -21.9935  156.436  0.0000    0.0000   -21.9935  156.436  ?       ?      8.8594  4.0300 ?              ?        
1 1 1 14 14 11 o 6.1687  2.6170 14.958    56.089   0.0000    0.0000   14.958    56.089   ?       ?      6.1687  2.6170 ?              ?        
1 1 1 14 14 12 o 9.0874  4.3424 -63.9297  221.985  0.0000    0.0000   -63.9297  221.985  ?       ?      9.0874  4.3424 ?              ?        
1 1 1 14 14 13 o 7.5821  3.8043 -279.5760 251.106  0.0000    0.0000   -279.5760 251.106  ?       ?      7.5821  3.8043 ?              ?        
1 1 1 14 14 14 o 8.5639  2.7929 99.963    119.028  164.774   139.547  -73.0975  228.033  9.4059  4.0614 7.7219  3.8349 1.683997       5.585808 
1 1 1 14 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 15 10 o 11.252  4.7882 124.951   188.768  0.0000    0.0000   124.951   188.768  ?       ?      11.252  4.7882 ?              ?        
1 1 1 14 15 11 o 8.3388  4.0488 -185.5856 212.175  0.0000    0.0000   -185.5856 212.175  ?       ?      8.3388  4.0488 ?              ?        
1 1 1 14 15 12 o 7.8006  3.8900 -267.8117 244.771  0.0000    0.0000   -267.8117 244.771  ?       ?      7.8006  3.8900 ?              ?        
1 1 1 14 15 13 o 10.405  4.8845 281.846   258.013  0.0000    0.0000   281.846   258.013  ?       ?      10.405  4.8845 ?              ?        
1 1 1 14 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 16 11 o 12.890  5.6709 316.917   283.084  0.0000    0.0000   316.917   283.084  ?       ?      12.890  5.6709 ?              ?        
1 1 1 14 16 12 o 10.947  5.0464 296.362   256.381  0.0000    0.0000   296.362   256.381  ?       ?      10.947  5.0464 ?              ?        
1 1 1 14 16 13 o 7.9609  3.9103 15.440    215.254  0.0000    0.0000   15.440    215.254  ?       ?      7.9609  3.9103 ?              ?        
1 1 1 14 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 17 11 o 11.504  5.1971 296.922   254.794  0.0000    0.0000   296.922   254.794  ?       ?      11.504  5.1971 ?              ?        
1 1 1 14 17 12 o 7.0776  3.5257 -178.9769 198.820  0.0000    0.0000   -178.9769 198.820  ?       ?      7.0776  3.5257 ?              ?        
1 1 1 14 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 18 12 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 19 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 2  o 7.7214  3.2194 25.719    82.617   0.0000    0.0000   25.719    82.617   ?       ?      7.7214  3.2194 ?              ?        
1 1 1 14 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 20 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 0  o 26.346  11.950 1575.05   679.947  0.0000    0.0000   1575.05   679.947  26.346  11.950 26.346  11.950 0.000000       0.000000 
1 1 1 14 21 1  o 24.545  10.230 1974.03   833.824  0.0000    0.0000   1974.03   833.824  ?       ?      24.545  10.230 ?              ?        
1 1 1 14 21 2  o 20.368  7.4164 843.690   391.665  0.0000    0.0000   843.690   391.665  ?       ?      20.368  7.4164 ?              ?        
1 1 1 14 21 3  o 23.066  8.9730 1369.97   594.811  0.0000    0.0000   1369.97   594.811  ?       ?      23.066  8.9730 ?              ?        
1 1 1 14 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 21 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 22 0  o 11.854  6.1907 283.133   192.237  0.0000    0.0000   283.133   192.237  11.854  6.1907 11.854  6.1907 0.000000       0.000000 
1 1 1 14 22 1  o 9.7044  2.8997 89.478    96.343   82.529    147.075  94.701    127.510  9.7237  4.1841 9.6852  4.0156 0.3851795E-01  5.799301 
1 1 1 14 22 2  o 16.486  4.6292 645.012   227.799  657.074   330.411  634.084   314.491  16.461  6.5979 16.511  6.4951 -0.5016136E-01 9.258430 
1 1 1 14 22 3  o 11.673  3.3367 163.833   115.276  270.735   198.136  109.131   141.734  13.175  5.1640 10.172  4.2268 3.003567       6.673305 
1 1 1 14 22 4  o 12.595  5.1074 216.183   200.505  216.183   200.505  0.0000    0.0000   12.595  5.1074 ?       ?      ?              ?        
1 1 1 14 22 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 22 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 22 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 22 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 22 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 14 23 0  o 5.4137  3.6543 -28.3902  115.133  0.0000    0.0000   -28.3902  115.133  5.4137  3.6543 5.4137  3.6543 0.000000       0.000000 
1 1 1 14 23 1  o 17.720  4.6757 651.079   229.974  504.701   328.000  792.619   322.534  15.577  6.4480 19.863  6.7728 -4.285977      9.351339 
1 1 1 14 23 2  o 17.406  4.9977 804.266   273.469  761.810   396.631  842.737   377.561  16.720  7.0186 18.092  7.1168 -1.371815      9.995468 
1 1 1 14 23 3  o 9.7085  2.9642 84.888    97.843   99.022    183.774  79.296    115.588  10.274  4.5423 9.1427  3.8097 1.131489       5.928439 
1 1 1 14 23 4  o 14.523  6.2095 534.543   320.221  534.543   320.221  0.0000    0.0000   14.523  6.2095 ?       ?      ?              ?        
1 1 1 14 23 5  o 12.037  5.3222 330.920   252.344  330.920   252.344  0.0000    0.0000   12.037  5.3222 ?       ?      ?              ?        
1 1 1 14 23 6  o 8.9463  4.2443 65.608    204.415  65.608    204.415  0.0000    0.0000   8.9463  4.2443 ?       ?      ?              ?        
1 1 1 14 23 7  o 10.600  5.0052 331.483   277.973  331.483   277.973  0.0000    0.0000   10.600  5.0052 ?       ?      ?              ?        
1 1 1 14 23 8  o 7.7779  3.8967 -112.2074 258.693  -112.2074 258.693  0.0000    0.0000   7.7779  3.8967 ?       ?      ?              ?        
1 1 1 14 24 0  o 16.570  8.9431 879.452   412.384  0.0000    0.0000   879.452   412.384  16.570  8.9431 16.570  8.9431 0.000000       0.000000 
1 1 1 14 24 1  o 9.6683  2.9715 105.714   105.340  134.439   165.452  86.132    136.605  10.143  4.4010 9.1932  3.9939 0.9501534      5.943027 
1 1 1 14 24 2  o 8.9695  2.8400 54.980    98.183   143.727   172.249  12.268    119.496  10.196  4.4561 7.7431  3.5222 2.452776       5.680031 
1 1 1 14 24 3  o 8.8916  2.8495 75.130    101.868  103.207   189.669  63.748    120.765  9.4289  4.3444 8.3542  3.6884 1.074743       5.698926 
1 1 1 14 24 4  o 7.9855  3.8707 -35.3365  191.719  -35.3365  191.719  0.0000    0.0000   7.9855  3.8707 ?       ?      ?              ?        
1 1 1 14 24 5  o 8.1225  3.8926 -30.8213  181.206  -30.8213  181.206  0.0000    0.0000   8.1225  3.8926 ?       ?      ?              ?        
1 1 1 14 24 6  o 9.7130  4.7775 450.354   324.868  450.354   324.868  0.0000    0.0000   9.7130  4.7775 ?       ?      ?              ?        
1 1 1 14 25 0  o 7.9283  4.9479 127.385   160.099  0.0000    0.0000   127.385   160.099  7.9283  4.9479 7.9283  4.9479 0.000000       0.000000 
1 1 1 14 25 1  o 8.1788  2.6390 30.877    98.502   -45.4068  154.468  83.158    127.876  7.5926  3.6266 8.7650  3.8349 -1.172355      5.278068 
1 1 1 14 25 2  o 12.818  3.8768 410.592   175.631  448.151   269.017  382.691   231.863  12.918  5.6083 12.719  5.3540 0.1994553      7.753635 
1 1 1 14 25 3  o 11.081  3.3822 269.060   141.801  203.139   233.913  307.361   178.299  10.168  4.7329 11.995  4.8330 -1.826911      6.764477 
1 1 1 14 25 4  o 9.9946  4.7775 400.462   269.124  400.462   269.124  0.0000    0.0000   9.9946  4.7775 ?       ?      ?              ?        
1 1 1 14 25 5  o 10.796  5.2425 589.496   356.036  589.496   356.036  0.0000    0.0000   10.796  5.2425 ?       ?      ?              ?        
1 1 1 14 26 0  o 9.5356  5.9462 339.539   230.761  0.0000    0.0000   339.539   230.761  9.5356  5.9462 9.5356  5.9462 0.000000       0.000000 
1 1 1 14 26 1  o 6.5337  2.2414 -49.1917  91.690   -74.6117  131.691  -25.2749  127.738  6.3564  3.1089 6.7111  3.2297 -0.3546734     4.482894 
1 1 1 14 26 2  o 8.2162  2.7380 66.033    109.719  167.327   186.878  12.749    135.538  9.1179  4.2396 7.3144  3.4660 1.803513       5.476038 
1 1 1 15 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 1  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 1  2  o 22.823  5.9462 564.143   274.143  0.0000    0.0000   564.143   274.143  ?       ?      22.823  5.9462 ?              ?        
1 1 1 15 1  3  o 26.002  6.7403 754.333   353.422  0.0000    0.0000   754.333   353.422  ?       ?      26.002  6.7403 ?              ?        
1 1 1 15 1  4  o 37.813  7.3074 1905.64   569.018  1992.46   801.257  1817.30   808.215  38.867  10.185 36.760  10.482 2.107040       14.61484 
1 1 1 15 1  5  o 36.861  6.8013 1694.57   510.616  1938.11   721.950  1450.80   722.291  39.845  9.2391 33.876  9.9834 5.969204       13.60253 
1 1 1 15 1  6  o 31.979  6.3555 1369.80   425.775  1221.64   603.622  1516.52   600.662  29.995  9.1926 33.964  8.7788 -3.969070      12.71103 
1 1 1 15 1  7  f 31.497  6.1620 1287.22   401.775  1228.20   570.769  1345.20   565.657  30.664  8.8287 32.331  8.5986 -1.667231      12.32405 
1 1 1 15 1  8  o 16.168  3.6571 287.953   133.686  319.584   195.151  259.983   183.506  16.869  5.2363 15.467  5.1067 1.401136       7.314184 
1 1 1 15 1  9  o 20.181  4.4363 509.574   198.012  516.853   280.709  502.365   279.359  20.315  6.2759 20.047  6.2720 0.2684269      8.872664 
1 1 1 15 1  10 o 17.969  3.6347 410.958   139.992  266.210   251.370  476.037   168.549  15.527  5.8857 20.410  4.2664 -4.882877      7.269351 
1 1 1 15 1  11 o 34.361  6.5445 2006.03   489.017  1482.83   840.874  2273.41   601.124  27.503  10.677 41.219  7.5708 -13.71552      13.08899 
1 1 1 15 1  12 o 22.973  4.6724 691.276   216.387  966.252   378.620  557.894   263.697  25.634  7.1271 20.311  6.0439 5.323524       9.344727 
1 1 1 15 1  13 f 14.029  3.7658 267.878   137.935  306.513   255.491  251.984   163.868  14.378  5.7881 13.680  4.8192 0.6973858      7.531686 
1 1 1 15 1  14 o 13.470  3.7489 262.706   140.846  285.567   268.239  254.004   165.495  13.558  5.7358 13.382  4.8288 0.1760359      7.497745 
1 1 1 15 1  15 o 14.370  3.8526 481.009   160.008  611.501   226.038  349.947   226.532  16.549  5.6697 12.191  5.2177 4.358900       7.705215 
1 1 1 15 1  16 o 9.1631  3.0208 191.555   136.365  299.226   198.872  96.007    187.343  10.096  4.5735 8.2301  3.9478 1.865928       6.041684 
1 1 1 15 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 2  2  o 42.834  10.665 2182.82   910.079  0.0000    0.0000   2182.82   910.079  ?       ?      42.834  10.665 ?              ?        
1 1 1 15 2  3  o 51.370  14.403 3787.31   1539.53  0.0000    0.0000   3787.31   1539.53  ?       ?      51.370  14.403 ?              ?        
1 1 1 15 2  4  o 40.299  8.0360 2289.18   676.080  2358.52   953.245  2219.00   959.025  41.073  11.266 39.526  11.463 1.546791       16.07195 
1 1 1 15 2  5  o 43.345  8.2795 2504.49   734.773  2442.42   1035.36  2567.47   1042.93  42.740  11.748 43.949  11.669 -1.209881      16.55899 
1 1 1 15 2  6  o 26.308  5.1446 849.312   279.841  830.790   392.909  868.380   398.663  26.020  7.2696 26.596  7.2816 -0.5762062     10.28923 
1 1 1 15 2  7  o 27.411  5.3218 918.458   300.819  955.382   425.970  881.724   424.876  27.995  7.4695 26.827  7.5824 1.168566       10.64359 
1 1 1 15 2  8  o 14.734  3.5511 228.054   124.777  223.422   166.726  233.952   188.128  14.523  4.8699 14.946  5.1697 -0.4235859     7.102187 
1 1 1 15 2  9  o 25.376  5.2661 871.904   292.149  1079.29   414.571  667.316   411.766  28.604  7.2401 22.148  7.6490 6.456230       10.53213 
1 1 1 15 2  10 o 23.762  4.3614 692.618   199.408  783.733   351.774  649.476   242.056  24.251  6.9151 23.273  5.3168 0.9778843      8.722763 
1 1 1 15 2  11 o 19.923  3.9942 473.670   160.540  558.229   273.229  429.086   198.399  20.932  6.1321 18.914  5.1196 2.018103       7.988311 
1 1 1 15 2  12 o 15.119  3.6849 254.442   125.398  367.329   233.180  208.512   148.736  16.818  5.7586 13.421  4.5991 3.397175       7.369768 
1 1 1 15 2  13 o 15.131  3.5628 334.473   137.020  151.392   262.184  403.263   160.713  12.598  5.5019 17.665  4.5279 -5.067469      7.125519 
1 1 1 15 2  14 o 16.210  4.2172 450.448   173.664  509.280   319.789  425.841   206.817  15.985  6.4614 16.435  5.4211 -0.4499207     8.434341 
1 1 1 15 2  15 o 9.0428  2.9032 84.354    113.252  166.205   172.884  22.827    149.891  9.9909  4.4120 8.0947  3.7748 1.896271       5.806431 
1 1 1 15 2  16 o 8.1241  2.7464 67.993    127.234  150.061   178.911  -15.9848  180.979  8.7961  4.1093 7.4521  3.6448 1.344076       5.492822 
1 1 1 15 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 3  3  o 20.685  5.5966 471.340   237.149  0.0000    0.0000   471.340   237.149  ?       ?      20.685  5.5966 ?              ?        
1 1 1 15 3  4  o 27.919  7.4229 924.836   421.631  0.0000    0.0000   924.836   421.631  ?       ?      27.919  7.4229 ?              ?        
1 1 1 15 3  5  o 36.397  6.6420 1616.56   488.349  1453.88   685.959  1783.76   695.396  34.362  9.6072 38.432  9.1742 -4.069931      13.28401 
1 1 1 15 3  6  o 38.037  7.6826 2058.19   614.302  2151.22   866.886  1964.34   870.636  39.097  10.751 36.976  10.977 2.121334       15.36521 
1 1 1 15 3  7  o 23.101  4.5550 619.375   220.723  737.503   315.665  506.365   308.750  25.225  6.2810 20.977  6.5986 4.247980       9.110045 
1 1 1 15 3  8  o 21.650  4.5122 558.401   208.768  536.234   293.845  580.994   296.659  21.233  6.3941 22.067  6.3683 -0.8342857     9.024350 
1 1 1 15 3  9  o 29.518  6.3419 1318.40   410.855  1465.33   578.907  1169.29   583.191  31.515  8.8309 27.520  9.1045 3.995230       12.68373 
1 1 1 15 3  10 o 21.033  3.6078 463.100   146.251  764.792   257.983  320.228   177.535  25.490  5.2356 16.575  4.9652 8.914896       7.215606 
1 1 1 15 3  11 o 21.272  4.1349 558.288   175.733  607.096   297.508  532.132   217.788  21.549  6.4213 20.995  5.2111 0.5537777      8.269775 
1 1 1 15 3  12 o 13.482  3.3087 135.842   109.916  402.353   202.753  24.918    130.805  17.741  5.3043 9.2230  3.9567 8.518004       6.617471 
1 1 1 15 3  13 o 16.340  3.8290 394.172   154.291  258.148   264.502  464.331   189.959  14.062  5.8030 18.617  4.9971 -4.555563      7.658063 
1 1 1 15 3  14 o 16.047  4.1813 481.338   180.330  443.092   326.735  498.091   216.249  14.684  6.2751 17.411  5.5277 -2.726990      8.362545 
1 1 1 15 3  15 o 11.542  3.6350 353.838   169.875  379.508   310.115  342.833   203.049  11.090  5.2514 11.994  5.0276 -0.9039688     7.270086 
1 1 1 15 3  16 o 8.8382  2.8799 138.082   118.687  173.126   165.306  100.796   170.513  9.2393  4.1789 8.4371  3.9640 0.8021698      5.759896 
1 1 1 15 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 4  4  o 22.124  6.1473 552.374   281.760  0.0000    0.0000   552.374   281.760  ?       ?      22.124  6.1473 ?              ?        
1 1 1 15 4  5  o 51.903  16.487 4752.47   1923.67  0.0000    0.0000   4752.47   1923.67  ?       ?      51.903  16.487 ?              ?        
1 1 1 15 4  6  o 33.442  6.4243 1431.70   440.811  1400.05   618.247  1464.43   628.687  33.066  9.0741 33.818  9.0966 -0.7527122     12.84861 
1 1 1 15 4  7  o 29.472  5.6654 1083.33   344.516  953.805   484.796  1215.48   489.679  27.543  8.1946 31.401  7.8253 -3.857924      11.33082 
1 1 1 15 4  8  o 25.365  5.1342 817.777   275.645  930.961   393.073  708.262   386.647  27.175  7.1395 23.554  7.3802 3.620729       10.26843 
1 1 1 15 4  9  o 13.855  3.5144 199.605   122.522  181.894   160.736  224.167   189.289  13.262  4.7620 14.448  5.1698 -1.185899      7.028763 
1 1 1 15 4  10 o 11.037  2.9071 111.837   87.275   47.033    146.536  147.461   108.646  10.263  4.2841 11.812  3.9308 -1.548363      5.814160 
1 1 1 15 4  11 o 18.371  3.5931 444.141   147.723  201.319   258.216  562.279   180.108  14.514  5.8273 22.228  4.2054 -7.714595      7.186276 
1 1 1 15 4  12 o 18.119  3.9075 406.295   148.529  544.609   255.378  335.592   182.586  19.955  5.9500 16.284  5.0667 3.671787       7.814928 
1 1 1 15 4  13 o 14.384  3.6425 279.126   127.760  267.179   243.966  283.641   149.967  14.038  5.6544 14.729  4.5933 -0.6909590     7.284971 
1 1 1 15 4  14 o 9.5372  2.7845 69.576    103.599  -292.8244 217.825  175.514   117.771  7.6539  3.7919 11.420  4.0788 -3.766461      5.569076 
1 1 1 15 4  15 o 7.8495  2.5798 21.573    97.110   65.823    144.943  -14.4685  130.810  8.4130  3.8471 7.2860  3.4382 1.127027       5.159573 
1 1 1 15 4  16 f 9.5215  3.0535 189.137   126.789  151.351   183.824  223.424   175.108  9.0805  4.2164 9.9625  4.4178 -0.8820419     6.106918 
1 1 1 15 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 5  4  o 19.644  5.7148 423.371   238.040  0.0000    0.0000   423.371   238.040  ?       ?      19.644  5.7148 ?              ?        
1 1 1 15 5  5  o 22.056  6.3021 568.313   291.869  0.0000    0.0000   568.313   291.869  ?       ?      22.056  6.3021 ?              ?        
1 1 1 15 5  6  o 20.033  5.8165 457.236   246.803  0.0000    0.0000   457.236   246.803  ?       ?      20.033  5.8165 ?              ?        
1 1 1 15 5  7  o 24.270  4.8885 728.073   250.916  827.988   352.166  625.055   357.595  26.047  6.7167 22.493  7.1047 3.554132       9.777100 
1 1 1 15 5  8  o 9.6078  2.7542 51.431    82.928   27.842    117.807  74.600    116.756  9.1269  3.8278 10.089  3.9611 -0.9619198     5.508429 
1 1 1 15 5  9  o 11.653  3.1644 115.350   107.576  174.785   140.302  30.561    167.577  12.823  4.4628 10.483  4.4874 2.340159       6.328757 
1 1 1 15 5  10 o 15.297  3.3673 243.220   111.748  396.874   192.088  164.616   137.389  18.126  5.0896 12.468  4.4104 5.657629       6.734692 
1 1 1 15 5  11 f 27.735  5.1362 1100.58   287.181  928.929   499.723  1185.22   350.915  24.462  8.4276 31.008  5.8735 -6.546021      10.27241 
1 1 1 15 5  12 o 14.123  3.4139 241.676   113.368  210.721   202.520  255.804   136.813  13.660  5.2575 14.587  4.3563 -0.9267302     6.827775 
1 1 1 15 5  13 o 16.246  3.9249 453.114   163.274  330.353   280.148  516.262   200.926  13.937  5.8770 18.554  5.2038 -4.616983      7.849777 
1 1 1 15 5  14 o 9.2131  2.9373 40.337    111.665  38.588    183.617  41.364    140.667  9.5273  4.3463 8.8988  3.9522 0.6284695      5.874516 
1 1 1 15 5  15 o 8.0300  2.6349 23.003    101.268  20.371    146.711  25.399    139.958  8.0481  3.7469 8.0119  3.7056 0.3619289E-01  5.269816 
1 1 1 15 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 6  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 6  6  o 36.090  10.203 1812.33   769.184  0.0000    0.0000   1812.33   769.184  ?       ?      36.090  10.203 ?              ?        
1 1 1 15 6  7  o 40.213  13.981 3348.92   1376.86  0.0000    0.0000   3348.92   1376.86  ?       ?      40.213  13.981 ?              ?        
1 1 1 15 6  8  o 24.768  5.2052 825.584   276.824  799.734   388.711  852.187   394.325  24.371  7.3575 25.166  7.3651 -0.7949486     10.41049 
1 1 1 15 6  9  o 22.280  4.1880 604.697   180.853  710.676   319.069  554.531   219.523  23.134  6.5821 21.425  5.1800 1.708153       8.375941 
1 1 1 15 6  10 o 15.246  3.4181 208.469   114.397  460.118   212.624  105.947   135.714  19.406  5.3198 11.087  4.2936 8.318862       6.836265 
1 1 1 15 6  11 o 14.312  3.1597 252.981   111.195  47.921    207.152  335.979   131.790  11.473  4.9512 17.151  3.9267 -5.677425      6.319343 
1 1 1 15 6  12 o 12.042  2.7815 158.087   96.891   -128.3874 182.073  271.262   114.440  8.7359  4.1017 15.348  3.7582 -6.612473      5.563087 
1 1 1 15 6  13 o 16.517  4.1433 508.852   167.014  583.289   298.609  474.965   201.474  16.191  6.3414 16.843  5.3342 -0.6513538     8.286561 
1 1 1 15 6  14 o 15.036  3.1695 376.678   156.097  -232.8643 286.122  634.981   186.258  8.9539  4.4193 21.119  4.5445 -12.16470      6.338957 
1 1 1 15 6  15 o 11.269  3.2899 228.783   123.954  298.315   172.000  153.652   178.791  12.460  4.8313 10.078  4.4667 2.382169       6.579738 
1 1 1 15 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 7  6  o 18.701  5.7433 393.244   235.483  0.0000    0.0000   393.244   235.483  ?       ?      18.701  5.7433 ?              ?        
1 1 1 15 7  7  o 29.895  8.4910 1191.16   531.456  0.0000    0.0000   1191.16   531.456  ?       ?      29.895  8.4910 ?              ?        
1 1 1 15 7  8  o 24.753  7.4086 826.294   395.379  0.0000    0.0000   826.294   395.379  ?       ?      24.753  7.4086 ?              ?        
1 1 1 15 7  9  o 21.357  4.7150 608.275   226.932  702.292   313.072  504.186   329.413  23.164  6.4953 19.549  6.8363 3.615017       9.429949 
1 1 1 15 7  10 o 31.204  5.4474 1503.08   370.567  845.371   644.997  1827.15   452.746  23.169  9.2420 39.238  5.7692 -16.06928      10.89484 
1 1 1 15 7  11 o 14.419  3.1532 270.465   111.041  53.236    216.410  348.094   129.370  11.491  5.0092 17.347  3.8313 -5.855365      6.306380 
1 1 1 15 7  12 o 24.693  5.0153 1060.71   282.086  770.059   492.897  1202.28   343.990  19.833  8.0200 29.552  6.0243 -9.719574      10.03059 
1 1 1 15 7  13 o 12.641  3.5691 244.971   139.079  161.690   255.618  279.992   165.762  11.672  5.2455 13.610  4.8413 -1.937842      7.138102 
1 1 1 15 7  14 o 14.692  4.1107 448.710   169.428  603.064   316.333  386.620   200.631  15.057  6.2905 14.328  5.2936 0.7288094      8.221498 
1 1 1 15 7  15 o 11.739  3.4439 300.940   132.896  290.652   190.119  310.769   185.842  11.543  4.8530 11.936  4.8877 -0.3933573     6.887762 
1 1 1 15 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 8  6  o 20.451  6.0675 498.908   266.056  0.0000    0.0000   498.908   266.056  ?       ?      20.451  6.0675 ?              ?        
1 1 1 15 8  7  o 13.772  5.0335 192.650   180.655  0.0000    0.0000   192.650   180.655  ?       ?      13.772  5.0335 ?              ?        
1 1 1 15 8  8  o 13.356  4.8268 185.216   165.452  0.0000    0.0000   185.216   165.452  ?       ?      13.356  4.8268 ?              ?        
1 1 1 15 8  9  o 34.235  7.4137 1547.00   492.915  0.0000    0.0000   1547.00   492.915  ?       ?      34.235  7.4137 ?              ?        
1 1 1 15 8  10 o 14.312  3.2325 126.859   109.091  477.249   208.988  -4.3755   127.899  19.844  5.2022 8.7799  3.8384 11.06411       6.465035 
1 1 1 15 8  11 o 10.738  3.0117 98.170    92.955   79.541    163.496  107.068   112.994  10.933  4.5412 10.543  3.9572 0.3903656      6.023428 
1 1 1 15 8  12 o 13.126  3.2201 231.516   114.024  78.702    196.695  308.861   139.936  10.841  4.7492 15.411  4.3500 -4.570575      6.440282 
1 1 1 15 8  13 o 16.319  3.7061 435.204   154.483  231.450   265.805  539.134   189.837  12.964  5.6014 19.675  4.8543 -6.710843      7.412179 
1 1 1 15 8  14 o 10.011  2.9520 128.628   116.798  -194.0984 241.451  227.215   133.451  8.1098  4.0132 11.912  4.3304 -3.802320      5.904029 
1 1 1 15 8  15 o 10.105  3.1017 241.680   121.575  338.930   169.656  139.028   174.303  11.490  4.6835 8.7203  4.0679 2.769775       6.203495 
1 1 1 15 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 9  7  o 23.803  7.2118 756.651   372.978  0.0000    0.0000   756.651   372.978  ?       ?      23.803  7.2118 ?              ?        
1 1 1 15 9  8  o 22.007  6.9819 666.716   345.042  0.0000    0.0000   666.716   345.042  ?       ?      22.007  6.9819 ?              ?        
1 1 1 15 9  9  o 13.939  4.2207 222.478   127.783  0.0000    0.0000   222.478   127.783  ?       ?      13.939  4.2207 ?              ?        
1 1 1 15 9  10 o 25.299  5.3802 774.064   263.846  0.0000    0.0000   774.064   263.846  ?       ?      25.299  5.3802 ?              ?        
1 1 1 15 9  11 o 20.509  4.2054 564.195   175.249  614.441   310.843  540.782   212.185  20.413  6.6419 20.605  5.1602 -0.1920795     8.410793 
1 1 1 15 9  12 o 11.025  3.0415 134.384   98.712   -14.5455  208.459  177.432   112.074  10.009  4.5904 12.042  3.9916 -2.033170      6.083082 
1 1 1 15 9  13 o 7.0415  2.4646 -125.8189 85.637   -137.9471 214.412  -123.5169 93.412   8.5569  4.1344 5.5262  2.6840 3.030702       4.929226 
1 1 1 15 9  14 o 11.085  3.2758 264.660   140.414  46.518    278.033  339.347   162.685  9.1588  4.4876 13.010  4.7733 -3.851629      6.551581 
1 1 1 15 9  15 o 9.2393  2.8272 143.094   125.584  -286.5749 230.662  324.122   149.720  6.6898  3.3911 11.789  4.5246 -5.099027      5.654360 
1 1 1 15 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 10 7  o 24.937  7.4739 848.999   402.177  0.0000    0.0000   848.999   402.177  ?       ?      24.937  7.4739 ?              ?        
1 1 1 15 10 8  o 11.351  4.4404 104.355   146.277  0.0000    0.0000   104.355   146.277  ?       ?      11.351  4.4404 ?              ?        
1 1 1 15 10 9  o 24.383  5.0220 695.839   236.747  0.0000    0.0000   695.839   236.747  ?       ?      24.383  5.0220 ?              ?        
1 1 1 15 10 10 o 15.487  4.2638 285.989   136.245  0.0000    0.0000   285.989   136.245  ?       ?      15.487  4.2638 ?              ?        
1 1 1 15 10 11 o 11.491  4.0833 142.677   117.894  0.0000    0.0000   142.677   117.894  ?       ?      11.491  4.0833 ?              ?        
1 1 1 15 10 12 o 10.122  2.9965 110.108   92.163   139.153   185.331  100.566   106.229  10.784  4.6684 9.4603  3.7579 1.323667       5.992965 
1 1 1 15 10 13 o 12.720  3.5071 223.656   120.910  380.773   217.580  153.460   145.434  14.577  5.4874 10.862  4.3691 3.714625       7.014297 
1 1 1 15 10 14 o 7.7193  2.5897 -12.9411  100.641  -76.2987  198.591  8.9532    116.742  7.9808  3.8847 7.4578  3.4258 0.5230427      5.179477 
1 1 1 15 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 11 9  o 32.057  6.4291 1312.44   397.851  0.0000    0.0000   1312.44   397.851  ?       ?      32.057  6.4291 ?              ?        
1 1 1 15 11 10 o 21.459  4.7762 561.291   199.712  0.0000    0.0000   561.291   199.712  ?       ?      21.459  4.7762 ?              ?        
1 1 1 15 11 11 o 18.466  4.9844 472.888   188.370  0.0000    0.0000   472.888   188.370  ?       ?      18.466  4.9844 ?              ?        
1 1 1 15 11 12 o 14.500  4.3855 286.303   138.011  0.0000    0.0000   286.303   138.011  ?       ?      14.500  4.3855 ?              ?        
1 1 1 15 11 13 o 6.9811  2.4195 -112.8037 86.981   -34.7084  185.176  -134.9124 98.527   8.4702  4.0245 5.4920  2.6868 2.978150       4.838980 
1 1 1 15 11 14 o 11.488  3.6136 258.022   145.398  567.907   293.174  156.942   167.440  13.150  5.7785 9.8268  4.3406 3.323077       7.227183 
1 1 1 15 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 12 9  f 21.499  4.7900 561.125   200.690  0.0000    0.0000   561.125   200.690  ?       ?      21.499  4.7900 ?              ?        
1 1 1 15 12 10 o 12.808  3.8736 188.418   107.672  0.0000    0.0000   188.418   107.672  ?       ?      12.808  3.8736 ?              ?        
1 1 1 15 12 11 o 7.4854  3.2092 20.986    85.953   0.0000    0.0000   20.986    85.953   ?       ?      7.4854  3.2092 ?              ?        
1 1 1 15 12 12 o 13.769  4.5086 274.552   143.152  0.0000    0.0000   274.552   143.152  ?       ?      13.769  4.5086 ?              ?        
1 1 1 15 12 13 o 10.841  4.2064 195.568   130.453  0.0000    0.0000   195.568   130.453  ?       ?      10.841  4.2064 ?              ?        
1 1 1 15 12 14 o 11.774  4.4912 329.014   146.955  0.0000    0.0000   329.014   146.955  ?       ?      11.774  4.4912 ?              ?        
1 1 1 15 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 13 9  o 30.753  6.5857 1301.42   392.848  0.0000    0.0000   1301.42   392.848  ?       ?      30.753  6.5857 ?              ?        
1 1 1 15 13 10 f 15.254  4.2842 300.110   136.086  0.0000    0.0000   300.110   136.086  ?       ?      15.254  4.2842 ?              ?        
1 1 1 15 13 11 o 10.630  3.9722 142.337   113.605  0.0000    0.0000   142.337   113.605  ?       ?      10.630  3.9722 ?              ?        
1 1 1 15 13 12 o 11.102  4.1367 168.106   123.032  0.0000    0.0000   168.106   123.032  ?       ?      11.102  4.1367 ?              ?        
1 1 1 15 13 13 o 11.412  4.4034 226.676   142.346  0.0000    0.0000   226.676   142.346  ?       ?      11.412  4.4034 ?              ?        
1 1 1 15 13 14 o 8.6104  4.2588 61.827    270.698  0.0000    0.0000   61.827    270.698  ?       ?      8.6104  4.2588 ?              ?        
1 1 1 15 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 14 10 o 9.6559  4.3146 28.680    170.321  0.0000    0.0000   28.680    170.321  ?       ?      9.6559  4.3146 ?              ?        
1 1 1 15 14 11 o 15.155  4.7442 331.229   159.811  0.0000    0.0000   331.229   159.811  ?       ?      15.155  4.7442 ?              ?        
1 1 1 15 14 12 o 11.512  4.3586 213.465   137.751  0.0000    0.0000   213.465   137.751  ?       ?      11.512  4.3586 ?              ?        
1 1 1 15 14 13 o 7.7224  3.8689 -187.5728 254.999  0.0000    0.0000   -187.5728 254.999  ?       ?      7.7224  3.8689 ?              ?        
1 1 1 15 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 15 10 o 13.796  5.6474 329.382   247.988  0.0000    0.0000   329.382   247.988  ?       ?      13.796  5.6474 ?              ?        
1 1 1 15 15 11 o 12.829  5.6410 304.561   279.757  0.0000    0.0000   304.561   279.757  ?       ?      12.829  5.6410 ?              ?        
1 1 1 15 15 12 o 10.098  4.8482 210.940   283.951  0.0000    0.0000   210.940   283.951  ?       ?      10.098  4.8482 ?              ?        
1 1 1 15 15 13 o 8.4238  4.1766 80.333    266.199  0.0000    0.0000   80.333    266.199  ?       ?      8.4238  4.1766 ?              ?        
1 1 1 15 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 16 11 o 9.8084  4.6553 81.819    246.468  0.0000    0.0000   81.819    246.468  ?       ?      9.8084  4.6553 ?              ?        
1 1 1 15 16 12 o 8.3106  4.0275 -8.8687   207.327  0.0000    0.0000   -8.8687   207.327  ?       ?      8.3106  4.0275 ?              ?        
1 1 1 15 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 17 11 o 6.7687  3.4194 -392.4102 222.325  0.0000    0.0000   -392.4102 222.325  ?       ?      6.7687  3.4194 ?              ?        
1 1 1 15 17 12 o 8.2462  4.0283 65.111    219.039  0.0000    0.0000   65.111    219.039  ?       ?      8.2462  4.0283 ?              ?        
1 1 1 15 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 18 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 19 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 20 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 3  o 12.986  4.8801 266.279   171.947  0.0000    0.0000   266.279   171.947  ?       ?      12.986  4.8801 ?              ?        
1 1 1 15 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 21 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 22 0  o 20.817  10.533 1227.78   545.338  0.0000    0.0000   1227.78   545.338  20.817  10.533 20.817  10.533 0.000000       0.000000 
1 1 1 15 22 1  o 12.320  4.7189 204.277   162.649  0.0000    0.0000   204.277   162.649  ?       ?      12.320  4.7189 ?              ?        
1 1 1 15 22 2  o 4.8138  2.3784 -163.0878 83.646   0.0000    0.0000   -163.0878 83.646   ?       ?      4.8138  2.3784 ?              ?        
1 1 1 15 22 3  o 18.052  7.1478 821.146   383.192  0.0000    0.0000   821.146   383.192  ?       ?      18.052  7.1478 ?              ?        
1 1 1 15 22 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 22 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 22 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 22 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 22 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 23 0  o 12.479  6.6155 343.349   221.992  0.0000    0.0000   343.349   221.992  12.479  6.6155 12.479  6.6155 0.000000       0.000000 
1 1 1 15 23 1  o 9.7368  2.7920 84.228    95.476   -55.5317  143.615  194.919   127.810  7.7176  3.6298 11.756  4.2433 -4.038319      5.583975 
1 1 1 15 23 2  o 12.853  3.6686 269.891   146.354  423.093   227.794  162.196   190.988  14.753  5.6003 10.952  4.7402 3.800961       7.337131 
1 1 1 15 23 3  o 12.784  3.7756 334.724   158.753  383.413   253.649  303.370   203.549  13.032  5.5481 12.536  5.1223 0.4962330      7.551102 
1 1 1 15 23 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 23 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 23 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 23 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 15 24 0  o 5.8741  3.9642 6.4262    135.345  0.0000    0.0000   6.4262    135.345  5.8741  3.9642 5.8741  3.9642 0.000000       0.000000 
1 1 1 15 24 1  o 12.958  4.3733 968.916   318.252  834.070   452.693  1100.69   447.504  12.213  5.9261 13.703  6.4329 -1.490883      8.746531 
1 1 1 15 24 2  o 6.7455  2.2945 -50.3616  84.512   -92.9988  159.909  -33.8371  99.550   7.1073  3.4653 6.3837  3.0084 0.7236643      4.588948 
1 1 1 15 24 3  o 11.649  3.5089 282.252   143.035  292.367   224.644  275.356   185.495  11.552  5.0678 11.746  4.8544 -0.1932936     7.017731 
1 1 1 15 24 4  o 12.944  6.0555 756.398   390.677  756.398   390.677  0.0000    0.0000   12.944  6.0555 ?       ?      ?              ?        
1 1 1 15 24 5  o 8.5817  4.2061 160.019   244.799  160.019   244.799  0.0000    0.0000   8.5817  4.2061 ?       ?      ?              ?        
1 1 1 15 24 6  o 8.4595  4.1018 66.140    215.761  66.140    215.761  0.0000    0.0000   8.4595  4.1018 ?       ?      ?              ?        
1 1 1 15 25 0  o 12.113  7.0614 521.255   283.319  0.0000    0.0000   521.255   283.319  12.113  7.0614 12.113  7.0614 0.000000       0.000000 
1 1 1 15 25 1  o 9.4664  3.0106 171.866   122.533  108.007   188.605  218.506   161.183  8.7689  4.1350 10.164  4.3768 -1.394948      6.021208 
1 1 1 15 25 2  o 8.4274  2.8043 113.365   117.704  170.635   193.581  79.772    148.258  8.8805  4.1881 7.9744  3.7304 0.9060903      5.608589 
1 1 1 15 25 3  o 5.9026  2.0889 -131.8324 88.949   -194.9015 183.600  -112.4892 101.678  6.4325  3.2310 5.3727  2.6485 1.059753       4.177765 
1 1 1 15 25 4  o 8.9565  4.3107 135.498   227.678  135.498   227.678  0.0000    0.0000   8.9565  4.3107 ?       ?      ?              ?        
1 1 1 16 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 1  1  o 12.137  3.9308 148.909   108.938  0.0000    0.0000   148.909   108.938  ?       ?      12.137  3.9308 ?              ?        
1 1 1 16 1  2  o 23.074  6.1937 607.374   291.821  0.0000    0.0000   607.374   291.821  ?       ?      23.074  6.1937 ?              ?        
1 1 1 16 1  3  o 32.242  8.4990 1268.88   555.808  0.0000    0.0000   1268.88   555.808  ?       ?      32.242  8.4990 ?              ?        
1 1 1 16 1  4  o 31.458  5.7301 1162.84   363.378  1241.18   511.806  1083.22   516.007  32.621  7.9233 30.295  8.2800 2.326218       11.46029 
1 1 1 16 1  5  o 24.383  4.8210 715.040   244.288  727.003   344.065  702.879   346.904  24.606  6.7762 24.160  6.8593 0.4457951      9.641926 
1 1 1 16 1  6  o 13.485  3.2159 183.113   105.630  118.935   153.139  241.360   145.890  12.049  4.5875 14.920  4.5081 -2.871182      6.431847 
1 1 1 16 1  7  o 16.457  3.4882 273.967   142.460  50.806    198.125  512.860   204.989  11.705  4.9394 21.210  4.9266 -9.504938      6.976327 
1 1 1 16 1  8  o 25.940  5.4433 922.921   303.185  872.906   427.263  973.647   430.291  25.170  7.7373 26.710  7.6584 -1.540247      10.88657 
1 1 1 16 1  9  o 28.930  6.5152 1371.12   424.880  1411.96   599.472  1329.89   602.279  29.481  9.1819 28.379  9.2458 1.101967       13.03040 
1 1 1 16 1  10 o 23.687  4.2601 790.947   220.134  433.774   379.585  971.949   270.215  18.238  7.1478 29.137  4.6370 -10.89934      8.520103 
1 1 1 16 1  11 o 25.252  4.4086 951.340   261.335  305.816   455.158  1268.80   319.192  17.273  7.3946 33.231  4.8026 -15.95874      8.817281 
1 1 1 16 1  12 o 13.496  3.4367 208.275   116.122  194.835   196.113  215.531   144.099  13.423  5.1715 13.569  4.5274 -0.1461124     6.873324 
1 1 1 16 1  13 o 14.578  3.7771 315.842   145.486  579.879   243.084  168.477   181.602  17.855  5.8766 11.300  4.7466 6.554766       7.554163 
1 1 1 16 1  14 o 14.471  3.8837 330.787   155.537  594.692   257.934  179.992   194.974  17.501  6.0533 11.440  4.8672 6.060750       7.767354 
1 1 1 16 1  15 o 8.7198  2.9153 11.059    124.037  136.482   215.720  -50.8885  151.605  9.9302  4.5956 7.5095  3.5885 2.420779       5.830670 
1 1 1 16 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 2  2  o 15.642  4.7123 263.610   159.578  0.0000    0.0000   263.610   159.578  ?       ?      15.642  4.7123 ?              ?        
1 1 1 16 2  3  o 21.137  5.7405 498.823   248.950  0.0000    0.0000   498.823   248.950  ?       ?      21.137  5.7405 ?              ?        
1 1 1 16 2  4  o 44.730  12.346 2747.30   1140.67  0.0000    0.0000   2747.30   1140.67  ?       ?      44.730  12.346 ?              ?        
1 1 1 16 2  5  o 15.653  3.5264 262.996   124.076  242.497   168.368  287.359   183.555  15.080  4.8870 16.227  5.0852 -1.147288      7.052793 
1 1 1 16 2  6  o 30.598  5.9501 1194.40   375.540  1171.44   529.659  1217.61   532.539  30.281  8.4334 30.914  8.3960 -0.6330051     11.90022 
1 1 1 16 2  7  o 23.823  4.8257 699.755   241.813  668.466   337.732  732.667   346.382  23.288  6.8163 24.359  6.8328 -1.070717      9.651361 
1 1 1 16 2  8  o 33.224  7.7297 1993.37   595.789  2100.83   846.070  1887.66   839.120  34.295  10.939 32.153  10.924 2.141815       15.45949 
1 1 1 16 2  9  f 26.779  5.9545 1106.45   355.656  1110.90   500.294  1101.90   505.698  26.885  8.3904 26.673  8.4514 0.2122917      11.90900 
1 1 1 16 2  10 o 10.349  2.9000 60.576    98.148   154.476   127.968  -73.5749  152.956  12.108  4.2594 8.5899  3.9368 3.517848       5.800066 
1 1 1 16 2  11 o 23.564  4.2774 797.306   225.438  381.632   398.410  993.077   273.419  17.669  7.1868 29.460  4.6406 -11.79085      8.554820 
1 1 1 16 2  12 o 16.470  3.7945 338.164   139.122  354.544   239.172  329.788   171.033  16.567  5.8234 16.372  4.8665 0.1954327      7.589075 
1 1 1 16 2  13 o 9.3663  2.9751 51.852    112.568  -39.5777  218.881  84.731    131.257  9.2789  4.3991 9.4537  4.0066 -0.1748037     5.950151 
1 1 1 16 2  14 o 8.4237  2.8679 -135.5033 119.858  103.947   226.672  -228.4382 141.215  10.632  4.8421 6.2154  3.0745 4.416663       5.735709 
1 1 1 16 2  15 o 10.812  3.2605 210.531   137.372  5.7373    281.015  274.836   157.469  9.3442  4.5642 12.279  4.6575 -2.935030      6.521040 
1 1 1 16 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 3  3  o 35.486  9.2257 1550.40   660.845  0.0000    0.0000   1550.40   660.845  ?       ?      35.486  9.2257 ?              ?        
1 1 1 16 3  4  f 31.176  8.2056 1172.43   518.604  0.0000    0.0000   1172.43   518.604  ?       ?      31.176  8.2056 ?              ?        
1 1 1 16 3  5  o 13.915  4.8163 192.826   163.301  0.0000    0.0000   192.826   163.301  ?       ?      13.915  4.8163 ?              ?        
1 1 1 16 3  6  o 12.916  3.1316 147.327   101.299  66.447    134.560  253.118   153.894  10.539  4.2153 15.293  4.6323 -4.754371      6.263144 
1 1 1 16 3  7  o 35.485  7.4086 1886.69   565.508  1695.37   798.349  2079.35   801.156  33.306  10.626 37.664  10.327 -4.357895      14.81729 
1 1 1 16 3  8  o 35.440  9.8057 3484.70   1010.00  3389.52   1429.60  3579.55   1427.12  34.793  13.797 36.086  13.938 -1.292965      19.61137 
1 1 1 16 3  9  o 26.687  5.9524 1110.70   361.298  913.977   507.143  1313.46   514.848  23.986  8.4749 29.388  8.3608 -5.401913      11.90489 
1 1 1 16 3  10 o 32.074  5.6581 1373.09   346.689  1829.12   602.882  1147.78   423.764  35.099  8.6452 29.050  7.3019 6.048206       11.31624 
1 1 1 16 3  11 o 18.165  3.6235 446.938   149.264  210.832   262.005  560.390   181.620  14.395  5.8380 21.935  4.2936 -7.540186      7.246937 
1 1 1 16 3  12 o 20.783  4.0472 636.542   198.781  255.114   342.025  831.098   244.272  15.367  6.4876 26.198  4.8403 -10.83063      8.094344 
1 1 1 16 3  13 o 11.772  3.3858 193.135   120.376  254.879   203.795  160.050   149.181  12.557  5.1275 10.987  4.4229 1.570110       6.771503 
1 1 1 16 3  14 o 12.208  3.5439 200.368   134.362  398.909   229.492  96.815    165.739  14.464  5.5883 9.9527  4.3599 4.510984       7.087835 
1 1 1 16 3  15 o 9.0705  2.9928 65.330    131.246  46.517    220.304  75.680    163.410  9.1556  4.3614 8.9855  4.0995 0.1701345      5.985652 
1 1 1 16 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 4  4  o 40.811  12.358 2647.99   1095.35  0.0000    0.0000   2647.99   1095.35  ?       ?      40.811  12.358 ?              ?        
1 1 1 16 4  5  o 29.196  7.8856 1045.06   471.286  0.0000    0.0000   1045.06   471.286  ?       ?      29.196  7.8856 ?              ?        
1 1 1 16 4  6  f 17.212  3.8102 325.358   145.523  321.244   198.689  330.120   213.735  17.089  5.2801 17.334  5.4946 -0.2449856     7.620372 
1 1 1 16 4  7  o 17.276  3.7837 335.615   145.771  393.629   204.377  275.541   207.974  18.576  5.2618 15.976  5.4386 2.599697       7.567366 
1 1 1 16 4  8  o 14.396  3.6385 218.236   133.684  168.920   185.694  271.295   192.612  13.310  5.0555 15.481  5.2341 -2.171239      7.276912 
1 1 1 16 4  9  o 15.111  3.7173 249.688   140.004  163.978   187.449  357.827   210.550  13.074  5.0508 17.147  5.4554 -4.073074      7.434548 
1 1 1 16 4  10 o 20.622  3.8615 558.079   169.907  311.869   292.201  683.850   208.842  16.669  6.3392 24.575  4.4112 -7.905939      7.722922 
1 1 1 16 4  11 o 10.737  2.8654 89.678    82.324   187.238   140.921  39.135    101.431  12.824  4.4721 8.6505  3.5836 4.173552       5.730805 
1 1 1 16 4  12 o 12.343  3.1126 169.885   109.398  -6.5442   185.913  263.331   135.302  9.9950  4.4839 14.692  4.3184 -4.696884      6.225260 
1 1 1 16 4  13 o 10.746  3.2381 67.522    116.267  309.203   211.968  -36.4834  139.052  13.586  5.3362 7.9057  3.6696 5.680042       6.476186 
1 1 1 16 4  14 o 7.7790  2.6164 -51.4114  104.726  -158.3786 206.086  -14.1726  121.597  7.9949  3.9059 7.5632  3.4824 0.4317160      5.232853 
1 1 1 16 4  15 o 9.2269  2.9450 91.599    130.980  -216.2889 255.865  200.932   152.472  7.8452  3.9222 10.609  4.3942 -2.763278      5.890053 
1 1 1 16 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 5  4  o 36.340  10.412 1881.69   795.550  0.0000    0.0000   1881.69   795.550  ?       ?      36.340  10.412 ?              ?        
1 1 1 16 5  5  o 23.774  6.6898 670.075   331.500  0.0000    0.0000   670.075   331.500  ?       ?      23.774  6.6898 ?              ?        
1 1 1 16 5  6  o 20.612  6.0178 498.328   263.534  0.0000    0.0000   498.328   263.534  ?       ?      20.612  6.0178 ?              ?        
1 1 1 16 5  7  o 14.425  3.3695 214.262   120.518  328.961   169.274  96.352    171.627  17.009  4.7784 11.841  4.7521 5.168155       6.739095 
1 1 1 16 5  8  o 25.295  5.3368 874.096   292.680  967.565   408.171  775.177   419.903  26.887  7.3707 23.703  7.7199 3.183907       10.67353 
1 1 1 16 5  9  o 25.212  5.3971 881.819   296.428  959.561   421.914  806.037   416.562  26.385  7.5889 24.039  7.6762 2.346045       10.79421 
1 1 1 16 5  10 o 15.774  3.4967 298.224   120.067  220.515   229.251  327.597   140.943  14.620  5.6018 16.927  4.1866 -2.306413      6.993400 
1 1 1 16 5  11 o 12.031  3.1849 152.697   102.298  78.236    190.723  182.770   121.209  11.414  4.8331 12.647  4.1491 -1.232985      6.369739 
1 1 1 16 5  12 o 11.671  3.0546 152.929   108.090  -25.8875  181.054  251.957   134.736  9.3581  4.2868 13.984  4.3526 -4.625402      6.109170 
1 1 1 16 5  13 o 12.741  3.5651 194.418   121.605  362.763   235.931  133.514   141.907  14.714  5.6715 10.769  4.3212 3.945900       7.130124 
1 1 1 16 5  14 o 8.5206  2.7887 -2.5381   103.993  121.815   182.284  -62.5398  126.620  10.016  4.4705 7.0249  3.3349 2.991470       5.577345 
1 1 1 16 5  15 o 9.0531  3.0612 70.234    137.268  327.585   254.189  -35.7128  163.094  10.656  4.9513 7.4502  3.6012 3.205977       6.122457 
1 1 1 16 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 6  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 6  6  o 27.341  7.8608 978.747   452.768  0.0000    0.0000   978.747   452.768  ?       ?      27.341  7.8608 ?              ?        
1 1 1 16 6  7  o 20.303  6.1812 510.329   273.511  0.0000    0.0000   510.329   273.511  ?       ?      20.303  6.1812 ?              ?        
1 1 1 16 6  8  o 13.534  3.3996 188.124   123.023  279.240   163.689  69.851    186.495  15.539  4.7911 11.528  4.8243 4.011609       6.799157 
1 1 1 16 6  9  o 17.663  4.0303 376.156   162.199  392.361   228.671  359.748   230.104  18.000  5.6810 17.325  5.7183 0.6743832      8.060558 
1 1 1 16 6  10 o 15.707  3.4830 284.539   114.042  291.823   218.796  281.823   133.630  15.767  5.5670 15.648  4.1874 0.1182995      6.966059 
1 1 1 16 6  11 o 13.627  3.1791 230.866   109.316  32.977    216.668  298.441   126.612  11.274  4.9606 15.980  3.9773 -4.706051      6.358192 
1 1 1 16 6  12 o 12.177  3.2289 181.985   110.865  46.851    214.088  231.502   129.595  10.828  4.8380 13.525  4.2776 -2.696498      6.457837 
1 1 1 16 6  13 f 15.183  3.5958 371.538   151.484  107.828   274.555  486.949   181.632  11.702  5.3291 18.663  4.8291 -6.961710      7.191633 
1 1 1 16 6  14 o 8.6368  2.7999 41.421    109.984  -128.6042 228.495  92.694    125.477  8.2330  4.0409 9.0407  3.8768 -0.8076830     5.599849 
1 1 1 16 6  15 o 7.1487  2.4700 -16.7699  107.640  -3.1600   202.058  -22.1626  127.189  7.5981  3.7431 6.6994  3.2237 0.8986702      4.939980 
1 1 1 16 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 7  6  o 16.185  5.1841 289.528   189.877  0.0000    0.0000   289.528   189.877  ?       ?      16.185  5.1841 ?              ?        
1 1 1 16 7  7  o 17.123  5.5487 346.737   217.049  0.0000    0.0000   346.737   217.049  ?       ?      17.123  5.5487 ?              ?        
1 1 1 16 7  8  o 16.743  5.7718 340.999   234.411  0.0000    0.0000   340.999   234.411  ?       ?      16.743  5.7718 ?              ?        
1 1 1 16 7  9  o 20.981  4.7528 602.015   226.999  652.955   312.870  545.394   329.853  21.998  6.5918 19.965  6.8488 2.033665       9.505663 
1 1 1 16 7  10 o 15.011  3.3348 179.778   110.268  478.558   211.938  68.881    129.120  19.855  5.2551 10.166  4.1070 9.688514       6.669579 
1 1 1 16 7  11 o 17.501  3.1867 413.367   143.552  14.590    244.092  624.216   177.490  11.458  5.1392 23.544  3.7693 -12.08589      6.373345 
1 1 1 16 7  12 o 18.414  3.3451 517.042   165.184  36.048    283.489  764.294   203.253  11.623  5.3389 25.206  4.0319 -13.58279      6.690281 
1 1 1 16 7  13 o 10.675  3.2370 121.295   112.740  123.840   232.353  120.510   128.935  11.119  4.9986 10.231  4.1143 0.8876877      6.474018 
1 1 1 16 7  14 f 9.6872  3.1756 102.929   131.070  331.026   242.996  9.3351    155.656  11.393  5.1176 7.9812  3.7614 3.411911       6.351264 
1 1 1 16 7  15 f 8.5199  2.9246 83.701    134.030  347.079   254.891  -16.9537  157.573  9.8737  4.7001 7.1661  3.4817 2.707624       5.849231 
1 1 1 16 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 8  6  o 22.333  6.6033 627.504   315.532  0.0000    0.0000   627.504   315.532  ?       ?      22.333  6.6033 ?              ?        
1 1 1 16 8  7  o 21.811  6.7067 612.026   320.996  0.0000    0.0000   612.026   320.996  ?       ?      21.811  6.7067 ?              ?        
1 1 1 16 8  8  o 23.339  7.1224 738.843   362.833  0.0000    0.0000   738.843   362.833  ?       ?      23.339  7.1224 ?              ?        
1 1 1 16 8  9  o 26.127  8.1705 991.531   474.136  0.0000    0.0000   991.531   474.136  ?       ?      26.127  8.1705 ?              ?        
1 1 1 16 8  10 o 20.370  4.0557 555.984   169.876  486.852   301.208  588.230   205.714  18.697  6.5372 22.043  4.8020 -3.345730      8.111342 
1 1 1 16 8  11 f 16.907  3.8589 341.789   137.568  434.871   260.727  305.878   161.945  17.974  6.0896 15.840  4.7416 2.133805       7.717854 
1 1 1 16 8  12 o 6.9642  2.4336 -138.9461 85.657   -86.4312  197.372  -151.1323 95.078   8.6070  4.1078 5.3215  2.6108 3.285490       4.867286 
1 1 1 16 8  13 o 12.058  3.5482 207.474   131.448  270.271   251.979  183.995   154.073  12.637  5.4569 11.480  4.5366 1.156358       7.096405 
1 1 1 16 8  14 o 9.4840  3.0768 120.857   124.448  209.455   220.162  79.256    150.862  10.267  4.7121 8.7006  3.9577 1.566806       6.153608 
1 1 1 16 8  15 o 11.442  3.7352 419.316   181.609  838.417   331.107  238.980   217.195  13.080  5.9154 9.8033  4.5623 3.277030       7.470423 
1 1 1 16 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 9  7  o 11.533  4.4524 116.740   145.587  0.0000    0.0000   116.740   145.587  ?       ?      11.533  4.4524 ?              ?        
1 1 1 16 9  8  o 19.241  6.3018 467.940   279.655  0.0000    0.0000   467.940   279.655  ?       ?      19.241  6.3018 ?              ?        
1 1 1 16 9  9  o 20.931  6.6065 582.114   309.244  0.0000    0.0000   582.114   309.244  ?       ?      20.931  6.6065 ?              ?        
1 1 1 16 9  10 o 21.368  5.0539 566.623   212.594  0.0000    0.0000   566.623   212.594  ?       ?      21.368  5.0539 ?              ?        
1 1 1 16 9  11 o 14.370  3.4055 280.998   116.274  208.569   214.678  311.066   138.319  13.075  5.2908 15.666  4.2891 -2.591578      6.810948 
1 1 1 16 9  12 o 13.180  2.9888 258.481   115.225  -42.1063  209.142  389.484   138.069  9.2488  4.3592 17.111  4.0901 -7.862329      5.977545 
1 1 1 16 9  13 o 8.6338  2.7558 24.358    103.617  -122.9579 194.078  83.091    122.545  8.0916  3.9154 9.1759  3.8791 -1.084319      5.511592 
1 1 1 16 9  14 o 9.2775  2.9949 93.008    119.177  -6.3068   258.117  119.916   134.355  9.1017  4.4299 9.4534  4.0315 -0.3516760     5.989785 
1 1 1 16 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 10 7  o 7.0608  3.2988 -94.3476  115.310  0.0000    0.0000   -94.3476  115.310  ?       ?      7.0608  3.2988 ?              ?        
1 1 1 16 10 8  o 21.888  6.7575 636.807   325.505  0.0000    0.0000   636.807   325.505  ?       ?      21.888  6.7575 ?              ?        
1 1 1 16 10 9  o 15.523  5.4873 280.060   212.633  0.0000    0.0000   280.060   212.633  ?       ?      15.523  5.4873 ?              ?        
1 1 1 16 10 10 o 30.733  7.3683 1426.47   447.027  0.0000    0.0000   1426.47   447.027  ?       ?      30.733  7.3683 ?              ?        
1 1 1 16 10 11 f 18.507  4.8786 453.120   183.137  0.0000    0.0000   453.120   183.137  ?       ?      18.507  4.8786 ?              ?        
1 1 1 16 10 12 o 12.623  4.1861 208.749   123.261  0.0000    0.0000   208.749   123.261  ?       ?      12.623  4.1861 ?              ?        
1 1 1 16 10 13 o 9.9724  4.1240 137.003   133.983  0.0000    0.0000   137.003   133.983  ?       ?      9.9724  4.1240 ?              ?        
1 1 1 16 10 14 f 8.3322  2.8417 33.647    108.171  213.402   256.566  -5.2128   119.291  9.6439  4.6244 7.0206  3.3038 2.623309       5.683321 
1 1 1 16 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 11 9  o 17.737  3.7362 361.298   128.353  0.0000    0.0000   361.298   128.353  ?       ?      17.737  3.7362 ?              ?        
1 1 1 16 11 10 o 24.240  5.2587 738.207   247.615  0.0000    0.0000   738.207   247.615  ?       ?      24.240  5.2587 ?              ?        
1 1 1 16 11 11 o 8.7166  3.5608 70.070    98.337   0.0000    0.0000   70.070    98.337   ?       ?      8.7166  3.5608 ?              ?        
1 1 1 16 11 12 o 20.320  6.1017 762.664   267.866  0.0000    0.0000   762.664   267.866  ?       ?      20.320  6.1017 ?              ?        
1 1 1 16 11 13 o 6.6454  3.1152 -22.9380  104.304  0.0000    0.0000   -22.9380  104.304  ?       ?      6.6454  3.1152 ?              ?        
1 1 1 16 11 14 o 8.7550  2.9226 145.479   122.781  261.609   235.642  102.201   143.851  9.3381  4.4655 8.1719  3.7716 1.166251       5.845167 
1 1 1 16 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 12 8  o 16.175  5.6263 312.274   222.979  0.0000    0.0000   312.274   222.979  ?       ?      16.175  5.6263 ?              ?        
1 1 1 16 12 9  o 14.400  4.1589 246.371   126.480  0.0000    0.0000   246.371   126.480  ?       ?      14.400  4.1589 ?              ?        
1 1 1 16 12 10 o 8.3333  3.4652 44.532    95.348   0.0000    0.0000   44.532    95.348   ?       ?      8.3333  3.4652 ?              ?        
1 1 1 16 12 11 o 9.2177  3.6141 87.566    97.075   0.0000    0.0000   87.566    97.075   ?       ?      9.2177  3.6141 ?              ?        
1 1 1 16 12 12 o 13.652  4.5642 287.130   146.447  0.0000    0.0000   287.130   146.447  ?       ?      13.652  4.5642 ?              ?        
1 1 1 16 12 13 o 11.350  4.3861 219.177   141.388  0.0000    0.0000   219.177   141.388  ?       ?      11.350  4.3861 ?              ?        
1 1 1 16 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 13 9  o 12.180  3.0333 165.491   73.610   0.0000    0.0000   165.491   73.610   ?       ?      12.180  3.0333 ?              ?        
1 1 1 16 13 10 o 24.060  6.6218 1036.38   328.683  0.0000    0.0000   1036.38   328.683  ?       ?      24.060  6.6218 ?              ?        
1 1 1 16 13 11 o 9.5186  3.8442 93.835    113.090  0.0000    0.0000   93.835    113.090  ?       ?      9.5186  3.8442 ?              ?        
1 1 1 16 13 12 o 12.080  3.8051 213.396   102.628  0.0000    0.0000   213.396   102.628  ?       ?      12.080  3.8051 ?              ?        
1 1 1 16 13 13 o 10.274  4.3865 223.264   159.388  0.0000    0.0000   223.264   159.388  ?       ?      10.274  4.3865 ?              ?        
1 1 1 16 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 14 10 o 11.056  3.9672 154.535   111.538  0.0000    0.0000   154.535   111.538  ?       ?      11.056  3.9672 ?              ?        
1 1 1 16 14 11 f 13.117  4.7218 267.789   158.133  0.0000    0.0000   267.789   158.133  ?       ?      13.117  4.7218 ?              ?        
1 1 1 16 14 12 o 6.7140  3.0839 -3.2744   94.571   0.0000    0.0000   -3.2744   94.571   ?       ?      6.7140  3.0839 ?              ?        
1 1 1 16 14 13 o 10.224  4.3330 236.638   153.522  0.0000    0.0000   236.638   153.522  ?       ?      10.224  4.3330 ?              ?        
1 1 1 16 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 15 10 o 9.5506  4.3703 28.370    187.495  0.0000    0.0000   28.370    187.495  ?       ?      9.5506  4.3703 ?              ?        
1 1 1 16 15 11 o 9.3361  4.4761 22.850    240.197  0.0000    0.0000   22.850    240.197  ?       ?      9.3361  4.4761 ?              ?        
1 1 1 16 15 12 o 8.6166  3.6322 96.678    106.949  0.0000    0.0000   96.678    106.949  ?       ?      8.6166  3.6322 ?              ?        
1 1 1 16 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 16 11 o 9.9458  4.7527 158.960   265.935  0.0000    0.0000   158.960   265.935  ?       ?      9.9458  4.7527 ?              ?        
1 1 1 16 16 12 o 7.7783  3.8367 -1.8434   214.508  0.0000    0.0000   -1.8434   214.508  ?       ?      7.7783  3.8367 ?              ?        
1 1 1 16 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 17 11 o 7.9295  3.8834 -32.0761  207.473  0.0000    0.0000   -32.0761  207.473  ?       ?      7.9295  3.8834 ?              ?        
1 1 1 16 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 18 11 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 19 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 20 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 21 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 3  o 14.340  5.4741 384.892   218.410  0.0000    0.0000   384.892   218.410  ?       ?      14.340  5.4741 ?              ?        
1 1 1 16 22 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 22 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 23 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 23 1  o 12.073  5.0148 288.275   199.388  0.0000    0.0000   288.275   199.388  ?       ?      12.073  5.0148 ?              ?        
1 1 1 16 23 2  o 8.6848  3.8342 78.376    130.493  0.0000    0.0000   78.376    130.493  ?       ?      8.6848  3.8342 ?              ?        
1 1 1 16 23 3  o 8.5009  3.7369 85.027    122.704  0.0000    0.0000   85.027    122.704  ?       ?      8.5009  3.7369 ?              ?        
1 1 1 16 23 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 23 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 23 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 24 0  o 4.7092  3.2968 -74.6830  116.155  0.0000    0.0000   -74.6830  116.155  4.7092  3.2968 4.7092  3.2968 0.000000       0.000000 
1 1 1 16 24 1  o 8.6390  2.7809 58.536    105.536  74.775    152.026  43.431    146.622  8.8658  4.0090 8.4121  3.8550 0.4537153      5.561767 
1 1 1 16 24 2  o 7.2333  2.4525 -40.2034  92.986   -19.2923  170.810  -49.0105  110.851  7.9279  3.7940 6.5388  3.1089 1.389085       4.905066 
1 1 1 16 24 3  o 8.0329  2.5751 74.695    92.181   -21.5174  172.754  112.995   108.995  7.4864  3.6392 8.5794  3.6443 -1.093051      5.150220 
1 1 1 16 24 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 16 25 0  o 7.9274  5.0728 168.515   180.617  0.0000    0.0000   168.515   180.617  7.9274  5.0728 7.9274  5.0728 0.000000       0.000000 
1 1 1 16 25 1  o 9.4884  2.8512 80.912    111.525  385.995   166.318  -168.3405 150.331  12.797  4.8015 6.1797  3.0763 6.617468       5.702447 
1 1 1 16 25 2  o 9.9788  3.2391 235.944   143.042  336.592   231.935  174.163   181.715  10.612  4.8578 9.3455  4.2860 1.266645       6.478273 
1 1 1 17 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 1  1  o 29.467  7.5593 1005.29   447.676  0.0000    0.0000   1005.29   447.676  ?       ?      29.467  7.5593 ?              ?        
1 1 1 17 1  2  o 19.901  5.4881 434.688   225.508  0.0000    0.0000   434.688   225.508  ?       ?      19.901  5.4881 ?              ?        
1 1 1 17 1  3  o 26.539  7.2165 853.607   393.140  0.0000    0.0000   853.607   393.140  ?       ?      26.539  7.2165 ?              ?        
1 1 1 17 1  4  o 45.810  10.231 3634.68   1049.07  3572.06   1479.31  3698.03   1487.94  45.351  14.464 46.269  14.475 -0.9179115     20.46271 
1 1 1 17 1  5  o 36.131  7.2033 1807.05   543.417  1874.85   766.934  1738.69   770.090  36.955  10.092 35.306  10.281 1.649277       14.40656 
1 1 1 17 1  6  o 9.6101  2.7225 31.820    81.271   -28.0894  104.853  121.970   128.623  7.6872  3.4132 11.533  4.2423 -3.845714      5.444935 
1 1 1 17 1  7  o 35.850  9.1025 2842.66   834.419  2641.57   1180.55  3043.41   1179.55  34.185  12.799 37.515  12.947 -3.329819      18.20509 
1 1 1 17 1  8  o 33.479  8.3134 2322.64   689.787  2381.14   976.636  2264.42   974.380  34.003  11.778 32.955  11.736 1.048397       16.62683 
1 1 1 17 1  9  f 7.5906  2.4882 -89.9090  90.005   -83.4009  128.221  -96.2306  126.372  7.7033  3.5573 7.4778  3.4801 0.2254620      4.976451 
1 1 1 17 1  10 o 17.299  4.1754 369.045   173.503  352.058   245.456  386.008   245.286  16.975  5.9031 17.624  5.9068 -0.6486950     8.350886 
1 1 1 17 1  11 o 10.454  2.9962 -5.5762   87.026   243.456   188.084  -73.4155  98.167   14.334  5.1507 6.5748  3.0623 7.759364       5.992301 
1 1 1 17 1  12 o 13.169  3.5503 222.622   122.276  225.008   238.992  221.776   142.312  13.238  5.4939 13.100  4.4983 0.1385336      7.100533 
1 1 1 17 1  13 o 20.522  5.1197 887.146   260.607  969.628   456.356  847.232   317.463  19.429  7.7659 21.615  6.6735 -2.186262      10.23942 
1 1 1 17 1  14 o 10.376  3.2353 155.367   125.747  190.895   220.529  138.250   153.070  10.755  4.8492 9.9969  4.2842 0.7585297      6.470623 
1 1 1 17 1  15 o 7.8887  2.7541 11.378    136.474  148.897   269.535  -36.0318  158.260  8.7092  4.2968 7.0682  3.4464 1.641015       5.508198 
1 1 1 17 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 2  2  o 23.842  6.3256 640.724   306.606  0.0000    0.0000   640.724   306.606  ?       ?      23.842  6.3256 ?              ?        
1 1 1 17 2  3  o 21.175  5.8784 519.625   257.776  0.0000    0.0000   519.625   257.776  ?       ?      21.175  5.8784 ?              ?        
1 1 1 17 2  4  o 37.577  10.552 1940.56   825.621  0.0000    0.0000   1940.56   825.621  ?       ?      37.577  10.552 ?              ?        
1 1 1 17 2  5  o 37.687  10.761 2010.41   851.251  0.0000    0.0000   2010.41   851.251  ?       ?      37.687  10.761 ?              ?        
1 1 1 17 2  6  o 26.187  5.2611 872.800   288.972  815.062   406.770  931.629   410.594  25.260  7.5042 27.114  7.3758 -1.854443      10.52215 
1 1 1 17 2  7  o 12.933  3.4062 162.308   117.939  165.972   165.600  158.537   168.007  12.994  4.8076 12.872  4.8265 0.1226234      6.812357 
1 1 1 17 2  8  o 33.643  8.7886 2669.42   788.331  2420.94   1115.89  2916.99   1113.85  31.605  12.292 35.680  12.565 -4.075624      17.57711 
1 1 1 17 2  9  o 27.592  6.0326 1143.09   366.855  1190.63   522.671  1096.93   515.035  28.193  8.5362 26.991  8.5266 1.201977       12.06519 
1 1 1 17 2  10 o 8.8642  2.8186 -42.3851  105.024  -71.6818  151.026  -14.9501  146.148  8.5595  3.9188 9.1689  4.0524 -0.6093893     5.637289 
1 1 1 17 2  11 o 12.618  3.2094 112.839   102.021  337.128   189.156  20.829    121.153  16.359  5.1673 8.8762  3.8079 7.482925       6.418796 
1 1 1 17 2  12 o 20.306  4.1858 695.503   212.742  323.130   359.136  896.808   264.057  14.892  6.4726 25.720  5.3093 -10.82827      8.371578 
1 1 1 17 2  13 o 21.991  5.8336 1273.63   345.067  1495.11   602.573  1165.56   420.919  21.072  8.7324 22.909  7.7375 -1.837143      11.66723 
1 1 1 17 2  14 o 8.2169  2.7790 -22.8605  121.155  -111.9021 241.536  7.0746    140.047  8.4561  4.1513 7.9777  3.6958 0.4783983      5.558046 
1 1 1 17 2  15 o 9.2589  3.1024 247.027   162.964  124.172   308.934  294.392   191.822  8.4535  4.2385 10.064  4.5314 -1.610788      6.204749 
1 1 1 17 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 3  3  o 32.653  9.0623 1419.65   612.718  0.0000    0.0000   1419.65   612.718  ?       ?      32.653  9.0623 ?              ?        
1 1 1 17 3  4  o 10.872  4.0598 99.004    118.624  0.0000    0.0000   99.004    118.624  ?       ?      10.872  4.0598 ?              ?        
1 1 1 17 3  5  o 27.007  7.4771 884.484   417.651  0.0000    0.0000   884.484   417.651  ?       ?      27.007  7.4771 ?              ?        
1 1 1 17 3  6  o 36.928  7.7965 2118.02   625.328  1854.79   879.264  2387.43   889.519  34.118  11.174 39.738  10.876 -5.620163      15.59291 
1 1 1 17 3  7  o 28.570  6.0761 1200.44   380.458  1387.41   538.818  1014.53   537.284  31.133  8.4412 26.008  8.7420 5.125137       12.15225 
1 1 1 17 3  8  o 25.858  5.5834 968.118   316.510  1060.20   451.180  878.893   444.128  27.181  7.8563 24.534  7.9358 2.646784       11.16684 
1 1 1 17 3  9  o 27.682  6.2536 1244.83   395.743  1079.53   562.364  1407.00   557.005  25.483  8.9310 29.882  8.7559 -4.398861      12.50715 
1 1 1 17 3  10 o 17.638  4.1056 383.957   168.439  422.911   237.447  344.498   238.978  18.420  5.7855 16.855  5.8268 1.564854       8.211209 
1 1 1 17 3  11 o 22.598  4.2137 787.179   228.262  318.882   403.731  1007.21   276.738  16.186  6.9478 29.011  4.7696 -12.82418      8.427435 
1 1 1 17 3  12 o 11.822  3.3793 140.915   117.251  180.306   207.377  122.405   142.154  12.654  5.1703 10.989  4.3528 1.664634       6.758644 
1 1 1 17 3  13 o 15.449  3.9968 394.671   157.859  409.203   285.530  388.274   189.444  14.956  6.0838 15.942  5.1850 -0.9861488     7.993547 
1 1 1 17 3  14 o 10.066  3.1511 111.527   116.795  321.346   209.488  16.891    140.690  12.121  5.0950 8.0122  3.7091 4.108331       6.302109 
1 1 1 17 3  15 o 9.1108  3.0642 193.749   138.316  401.561   257.665  109.624   163.938  10.019  4.7567 8.2022  3.8639 1.817142       6.128343 
1 1 1 17 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 4  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 4  4  o 13.822  4.7695 193.087   160.082  0.0000    0.0000   193.087   160.082  ?       ?      13.822  4.7695 ?              ?        
1 1 1 17 4  5  o 17.365  5.3341 336.233   203.113  0.0000    0.0000   336.233   203.113  ?       ?      17.365  5.3341 ?              ?        
1 1 1 17 4  6  o 16.874  5.3468 318.488   202.408  0.0000    0.0000   318.488   202.408  ?       ?      16.874  5.3468 ?              ?        
1 1 1 17 4  7  o 22.336  4.7697 646.909   231.444  680.036   320.479  610.798   334.598  23.015  6.6124 21.657  6.8759 1.357641       9.539434 
1 1 1 17 4  8  f 13.797  3.4789 208.760   121.224  219.581   167.920  196.983   175.183  14.017  4.8821 13.578  4.9576 0.4387007      6.957880 
1 1 1 17 4  9  o 11.595  3.3567 95.347    123.925  87.997    174.444  102.835   176.080  11.453  4.7179 11.736  4.7762 -0.2839708     6.713486 
1 1 1 17 4  10 o 17.110  3.9582 355.458   160.556  446.223   221.770  255.485   232.748  19.030  5.5103 15.191  5.6839 3.838228       7.916400 
1 1 1 17 4  11 o 19.502  4.0537 531.195   171.544  423.056   291.306  588.603   212.249  17.331  6.3830 21.673  4.9987 -4.341398      8.107377 
1 1 1 17 4  12 o 17.530  3.4780 476.666   171.214  -39.6538  302.060  721.078   207.824  11.243  5.2801 23.817  4.5284 -12.57485      6.955950 
1 1 1 17 4  13 o 16.961  4.4400 590.281   203.178  579.348   356.120  595.557   247.394  15.654  6.6148 18.268  5.9243 -2.614849      8.879944 
1 1 1 17 4  14 o 8.4630  2.8405 28.282    114.902  101.565   225.192  2.4871    133.603  9.3433  4.4390 7.5828  3.5453 1.760493       5.681045 
1 1 1 17 4  15 o 8.3749  2.8205 111.857   131.464  30.054    251.840  142.498   154.130  8.0534  4.0046 8.6965  3.9730 -0.6430998     5.641076 
1 1 1 17 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 5  4  o 28.027  7.6054 960.484   437.187  0.0000    0.0000   960.484   437.187  ?       ?      28.027  7.6054 ?              ?        
1 1 1 17 5  5  o 18.023  5.6556 374.572   226.962  0.0000    0.0000   374.572   226.962  ?       ?      18.023  5.6556 ?              ?        
1 1 1 17 5  6  o 25.392  7.4327 835.625   401.559  0.0000    0.0000   835.625   401.559  ?       ?      25.392  7.4327 ?              ?        
1 1 1 17 5  7  o 33.443  11.270 2097.73   893.002  0.0000    0.0000   2097.73   893.002  ?       ?      33.443  11.270 ?              ?        
1 1 1 17 5  8  o 20.441  4.4525 544.054   205.042  670.438   288.154  414.428   291.828  22.819  6.1672 18.063  6.4238 4.755684       8.905008 
1 1 1 17 5  9  o 13.604  3.5475 191.834   129.491  238.096   168.650  125.390   202.117  14.526  4.8978 12.683  5.1333 1.842281       7.094972 
1 1 1 17 5  10 o 8.0449  2.7036 -199.6093 120.736  -323.6032 168.642  -69.2278  172.932  6.8957  3.4014 9.1940  4.2035 -2.298330      5.407297 
1 1 1 17 5  11 o 11.525  2.9951 126.137   105.979  -121.1861 196.597  227.447   125.826  9.1548  4.2868 13.895  4.1841 -4.739978      5.990242 
1 1 1 17 5  12 o 16.159  3.6818 440.431   163.541  150.854   268.998  610.223   205.981  11.853  5.3488 20.464  5.0610 -8.610513      7.363666 
1 1 1 17 5  13 o 12.066  3.5409 218.637   135.788  225.054   247.490  215.873   162.416  12.070  5.3065 12.062  4.6898 0.7675171E-02  7.081871 
1 1 1 17 5  14 f 9.1960  2.9570 107.483   131.352  -131.3143 248.496  200.075   154.736  8.0096  3.9821 10.382  4.3724 -2.372820      5.913914 
1 1 1 17 5  15 o 8.9789  3.0652 102.538   143.766  390.357   269.392  -12.0778  169.999  10.457  4.9345 7.5003  3.6377 2.957153       6.130426 
1 1 1 17 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 6  5  o 23.652  6.8197 683.388   340.348  0.0000    0.0000   683.388   340.348  ?       ?      23.652  6.8197 ?              ?        
1 1 1 17 6  6  f 10.405  4.2975 55.614    145.232  0.0000    0.0000   55.614    145.232  ?       ?      10.405  4.2975 ?              ?        
1 1 1 17 6  7  o 14.978  5.3087 247.273   199.145  0.0000    0.0000   247.273   199.145  ?       ?      14.978  5.3087 ?              ?        
1 1 1 17 6  8  o 19.049  6.2356 449.859   273.825  0.0000    0.0000   449.859   273.825  ?       ?      19.049  6.2356 ?              ?        
1 1 1 17 6  9  o 12.036  3.3187 122.197   116.919  163.846   154.377  66.172    179.048  12.745  4.6538 11.328  4.7326 1.417674       6.637406 
1 1 1 17 6  10 o 19.259  4.0673 490.023   162.081  494.169   296.923  488.263   193.443  18.663  6.4925 19.856  4.9009 -1.192104      8.134569 
1 1 1 17 6  11 o 15.333  3.5219 308.623   133.447  118.970   247.536  386.324   158.443  12.780  5.4618 17.886  4.4479 -5.105379      7.043844 
1 1 1 17 6  12 o 8.0850  2.7331 -92.1769  106.242  43.893    202.428  -143.9083 124.814  9.7964  4.5042 6.3737  3.0972 3.422713       5.466259 
1 1 1 17 6  13 o 13.677  3.7190 318.242   141.395  309.296   266.855  321.734   166.722  13.036  5.6226 14.317  4.8695 -1.281260      7.438094 
1 1 1 17 6  14 o 7.7130  2.5557 -58.8836  112.048  -356.2133 190.108  99.383    138.700  6.3673  3.2098 9.0587  3.9778 -2.691372      5.111362 
1 1 1 17 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 7  5  o 20.756  6.1375 513.799   272.585  0.0000    0.0000   513.799   272.585  ?       ?      20.756  6.1375 ?              ?        
1 1 1 17 7  6  o 15.581  5.1750 277.128   188.344  0.0000    0.0000   277.128   188.344  ?       ?      15.581  5.1750 ?              ?        
1 1 1 17 7  7  o 21.913  6.7433 640.167   324.436  0.0000    0.0000   640.167   324.436  ?       ?      21.913  6.7433 ?              ?        
1 1 1 17 7  8  o 6.8511  3.3347 -232.1314 146.294  0.0000    0.0000   -232.1314 146.294  ?       ?      6.8511  3.3347 ?              ?        
1 1 1 17 7  9  o 12.867  4.8822 162.982   173.080  0.0000    0.0000   162.982   173.080  ?       ?      12.867  4.8822 ?              ?        
1 1 1 17 7  10 o 19.927  6.8602 580.418   331.096  0.0000    0.0000   580.418   331.096  ?       ?      19.927  6.8602 ?              ?        
1 1 1 17 7  11 o 17.889  3.4511 492.682   155.968  121.923   266.184  686.524   192.469  12.256  5.4403 23.521  4.2478 -11.26426      6.902243 
1 1 1 17 7  12 o 12.500  3.0264 226.131   111.371  -23.7640  206.189  329.072   132.337  9.3884  4.3943 15.611  4.1625 -6.222283      6.052746 
1 1 1 17 7  13 o 8.2862  2.7534 -24.6751  109.963  -25.9976  193.660  -24.0459  133.587  8.8257  4.1704 7.7468  3.5961 1.078981       5.506779 
1 1 1 17 7  14 o 9.9395  3.2390 103.542   127.971  314.708   257.478  34.265    147.476  11.554  5.2217 8.3245  3.8337 3.229985       6.477967 
1 1 1 17 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 8  6  o 18.185  5.9435 399.610   248.807  0.0000    0.0000   399.610   248.807  ?       ?      18.185  5.9435 ?              ?        
1 1 1 17 8  7  o 16.064  5.6060 305.810   221.464  0.0000    0.0000   305.810   221.464  ?       ?      16.064  5.6060 ?              ?        
1 1 1 17 8  8  o 17.889  5.8611 398.135   241.901  0.0000    0.0000   398.135   241.901  ?       ?      17.889  5.8611 ?              ?        
1 1 1 17 8  9  o 20.502  6.7624 561.556   321.821  0.0000    0.0000   561.556   321.821  ?       ?      20.502  6.7624 ?              ?        
1 1 1 17 8  10 f 5.7244  2.6656 -58.0438  74.313   0.0000    0.0000   -58.0438  74.313   ?       ?      5.7244  2.6656 ?              ?        
1 1 1 17 8  11 o 9.7707  2.9950 39.676    87.155   115.509   199.530  21.796    96.887   11.573  4.9236 7.9685  3.4115 3.604222       5.990040 
1 1 1 17 8  12 o 12.527  3.5646 183.720   123.706  315.023   239.675  136.038   144.431  14.123  5.6337 10.931  4.3689 3.192695       7.129272 
1 1 1 17 8  13 o 10.851  3.3954 174.172   132.720  260.520   262.992  144.667   153.732  11.517  5.2338 10.184  4.3270 1.333412       6.790864 
1 1 1 17 8  14 o 9.4310  2.9694 131.474   131.232  -140.5699 230.797  261.452   159.531  7.6702  3.8173 11.192  4.5495 -3.521565      5.938785 
1 1 1 17 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 9  7  o 17.777  5.7179 379.052   230.812  0.0000    0.0000   379.052   230.812  ?       ?      17.777  5.7179 ?              ?        
1 1 1 17 9  8  o 19.726  6.4546 496.221   293.412  0.0000    0.0000   496.221   293.412  ?       ?      19.726  6.4546 ?              ?        
1 1 1 17 9  9  o 15.974  5.6101 322.849   221.956  0.0000    0.0000   322.849   221.956  ?       ?      15.974  5.6101 ?              ?        
1 1 1 17 9  10 o 24.786  5.6807 792.672   275.579  0.0000    0.0000   792.672   275.579  ?       ?      24.786  5.6807 ?              ?        
1 1 1 17 9  11 o 11.440  4.0572 164.850   116.337  0.0000    0.0000   164.850   116.337  ?       ?      11.440  4.0572 ?              ?        
1 1 1 17 9  12 o 13.321  3.2152 278.293   119.743  77.768    215.924  367.349   143.896  10.421  4.7382 16.221  4.3472 -5.799938      6.430329 
1 1 1 17 9  13 o 7.1500  2.4468 -71.2746  103.219  -183.2149 196.229  -28.4545  121.366  7.2505  3.5933 7.0495  3.3220 0.2010374      4.893601 
1 1 1 17 9  14 o 9.7571  3.1559 282.968   157.764  27.280    265.559  422.429   196.125  7.9594  3.9818 11.555  4.8973 -3.595271      6.311765 
1 1 1 17 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 10 7  o 24.779  7.7289 900.134   424.588  0.0000    0.0000   900.134   424.588  ?       ?      24.779  7.7289 ?              ?        
1 1 1 17 10 8  o 18.909  6.1060 454.405   263.013  0.0000    0.0000   454.405   263.013  ?       ?      18.909  6.1060 ?              ?        
1 1 1 17 10 9  o 10.650  4.6628 25.129    189.345  0.0000    0.0000   25.129    189.345  ?       ?      10.650  4.6628 ?              ?        
1 1 1 17 10 10 f 18.114  4.7742 430.375   175.403  0.0000    0.0000   430.375   175.403  ?       ?      18.114  4.7742 ?              ?        
1 1 1 17 10 11 o 9.3646  3.8341 90.777    114.330  0.0000    0.0000   90.777    114.330  ?       ?      9.3646  3.8341 ?              ?        
1 1 1 17 10 12 o 10.896  4.2005 157.083   129.438  0.0000    0.0000   157.083   129.438  ?       ?      10.896  4.2005 ?              ?        
1 1 1 17 10 13 o 11.650  3.5080 282.520   133.671  420.892   250.705  227.558   158.004  12.320  5.3804 10.980  4.5028 1.339562       7.015984 
1 1 1 17 10 14 o 8.2187  2.7640 68.885    118.078  -21.0157  268.493  90.441    131.475  8.1807  4.0787 8.2567  3.7314 -0.7604599E-01 5.528012 
1 1 1 17 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 11 8  o 16.282  5.6712 333.571   226.590  0.0000    0.0000   333.571   226.590  ?       ?      16.282  5.6712 ?              ?        
1 1 1 17 11 9  o 14.909  5.7224 270.936   239.491  0.0000    0.0000   270.936   239.491  ?       ?      14.909  5.7224 ?              ?        
1 1 1 17 11 10 o 10.250  3.9150 107.502   111.753  0.0000    0.0000   107.502   111.753  ?       ?      10.250  3.9150 ?              ?        
1 1 1 17 11 11 o 15.966  4.7681 359.373   163.906  0.0000    0.0000   359.373   163.906  ?       ?      15.966  4.7681 ?              ?        
1 1 1 17 11 12 o 14.305  4.9146 356.517   169.881  0.0000    0.0000   356.517   169.881  ?       ?      14.305  4.9146 ?              ?        
1 1 1 17 11 13 o 14.840  5.3971 488.589   207.331  0.0000    0.0000   488.589   207.331  ?       ?      14.840  5.3971 ?              ?        
1 1 1 17 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 12 8  o 18.335  6.2422 460.343   273.971  0.0000    0.0000   460.343   273.971  ?       ?      18.335  6.2422 ?              ?        
1 1 1 17 12 9  o 17.851  6.5415 485.650   305.405  0.0000    0.0000   485.650   305.405  ?       ?      17.851  6.5415 ?              ?        
1 1 1 17 12 10 o 7.9912  3.3711 44.667    92.238   0.0000    0.0000   44.667    92.238   ?       ?      7.9912  3.3711 ?              ?        
1 1 1 17 12 11 o 7.0670  3.2191 -17.4275  100.241  0.0000    0.0000   -17.4275  100.241  ?       ?      7.0670  3.2191 ?              ?        
1 1 1 17 12 12 o 8.7962  3.8160 92.425    124.363  0.0000    0.0000   92.425    124.363  ?       ?      8.7962  3.8160 ?              ?        
1 1 1 17 12 13 o 4.9444  2.4878 -216.1557 111.262  0.0000    0.0000   -216.1557 111.262  ?       ?      4.9444  2.4878 ?              ?        
1 1 1 17 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 13 10 o 12.626  3.4893 196.709   91.046   0.0000    0.0000   196.709   91.046   ?       ?      12.626  3.4893 ?              ?        
1 1 1 17 13 11 o 14.944  4.8180 356.709   163.807  0.0000    0.0000   356.709   163.807  ?       ?      14.944  4.8180 ?              ?        
1 1 1 17 13 12 o 11.209  4.5047 223.977   154.458  0.0000    0.0000   223.977   154.458  ?       ?      11.209  4.5047 ?              ?        
1 1 1 17 13 13 o 7.2855  3.3537 31.923    112.681  0.0000    0.0000   31.923    112.681  ?       ?      7.2855  3.3537 ?              ?        
1 1 1 17 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 14 9  o 17.783  4.8628 480.625   177.925  0.0000    0.0000   480.625   177.925  ?       ?      17.783  4.8628 ?              ?        
1 1 1 17 14 10 o 8.1990  3.4371 51.652    94.907   0.0000    0.0000   51.652    94.907   ?       ?      8.1990  3.4371 ?              ?        
1 1 1 17 14 11 o 12.080  4.5586 257.438   150.368  0.0000    0.0000   257.438   150.368  ?       ?      12.080  4.5586 ?              ?        
1 1 1 17 14 12 o 6.6410  3.0151 11.012    87.030   0.0000    0.0000   11.012    87.030   ?       ?      6.6410  3.0151 ?              ?        
1 1 1 17 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 15 10 o 10.427  4.7185 120.116   211.037  0.0000    0.0000   120.116   211.037  ?       ?      10.427  4.7185 ?              ?        
1 1 1 17 15 11 o 4.7987  2.3918 -179.7089 92.018   0.0000    0.0000   -179.7089 92.018   ?       ?      4.7987  2.3918 ?              ?        
1 1 1 17 15 12 o 8.0690  3.5449 91.312    110.272  0.0000    0.0000   91.312    110.272  ?       ?      8.0690  3.5449 ?              ?        
1 1 1 17 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 16 11 o 9.4810  4.5168 178.426   236.387  0.0000    0.0000   178.426   236.387  ?       ?      9.4810  4.5168 ?              ?        
1 1 1 17 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 17 11 o 8.1908  4.0102 31.602    220.732  0.0000    0.0000   31.602    220.732  ?       ?      8.1908  4.0102 ?              ?        
1 1 1 17 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 18 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 21 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 22 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 23 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 23 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 23 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 23 3  o 8.9488  3.8288 103.886   121.896  0.0000    0.0000   103.886   121.896  ?       ?      8.9488  3.8288 ?              ?        
1 1 1 17 23 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 23 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 24 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 17 24 1  o 8.3881  3.9004 127.695   158.194  0.0000    0.0000   127.695   158.194  ?       ?      8.3881  3.9004 ?              ?        
1 1 1 17 24 2  o 9.7042  4.3723 237.137   178.946  0.0000    0.0000   237.137   178.946  ?       ?      9.7042  4.3723 ?              ?        
1 1 1 17 24 3  o 9.6255  4.2745 191.696   164.505  0.0000    0.0000   191.696   164.505  ?       ?      9.6255  4.2745 ?              ?        
1 1 1 18 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 1  1  o 8.2415  3.2379 42.709    78.063   0.0000    0.0000   42.709    78.063   ?       ?      8.2415  3.2379 ?              ?        
1 1 1 18 1  2  o 30.615  8.1956 1162.38   511.764  0.0000    0.0000   1162.38   511.764  ?       ?      30.615  8.1956 ?              ?        
1 1 1 18 1  3  o 45.221  16.121 4528.60   1838.86  0.0000    0.0000   4528.60   1838.86  ?       ?      45.221  16.121 ?              ?        
1 1 1 18 1  4  o 18.772  3.8510 388.596   157.052  270.743   215.699  521.569   229.118  16.073  5.5369 21.472  5.3538 -5.398359      7.701981 
1 1 1 18 1  5  o 20.318  4.2638 485.052   186.467  528.606   261.350  439.893   266.122  21.211  5.9300 19.426  6.1283 1.784777       8.527657 
1 1 1 18 1  6  o 25.642  5.3508 891.165   294.901  985.843   417.222  796.640   416.884  27.141  7.4568 24.143  7.6759 2.997225       10.70160 
1 1 1 18 1  7  o 21.968  4.6308 620.196   223.994  477.444   319.268  758.575   314.340  19.429  6.7338 24.507  6.3586 -5.077904      9.261561 
1 1 1 18 1  8  o 24.111  5.0640 777.076   265.732  642.388   376.134  911.288   375.470  21.878  7.3146 26.344  7.0052 -4.466032      10.12799 
1 1 1 18 1  9  o 15.210  3.7846 255.443   145.846  180.708   208.118  327.562   204.444  13.761  5.3204 16.658  5.3838 -2.896949      7.569134 
1 1 1 18 1  10 o 11.727  3.1961 121.232   114.290  -3.7886   174.285  215.557   151.384  9.8951  4.3967 13.560  4.6399 -3.664641      6.392172 
1 1 1 18 1  11 o 18.915  4.0355 471.043   160.880  495.794   274.304  458.065   198.631  18.820  6.2449 19.010  5.1130 -0.1895847     8.071038 
1 1 1 18 1  12 o 14.483  3.9600 318.875   151.900  641.364   283.951  189.590   179.787  17.434  6.3199 11.531  4.7736 5.903380       7.920064 
1 1 1 18 1  13 o 9.5831  3.1170 25.417    121.554  123.243   233.915  -10.7721  142.272  10.934  4.9559 8.2325  3.7818 2.701220       6.233965 
1 1 1 18 1  14 o 8.1200  2.8024 -59.4632  121.574  79.910    246.728  -104.1530 139.712  9.4779  4.5422 6.7621  3.2838 2.715803       5.604888 
1 1 1 18 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 2  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 2  3  o 37.770  10.908 2074.00   870.028  0.0000    0.0000   2074.00   870.028  ?       ?      37.770  10.908 ?              ?        
1 1 1 18 2  4  o 21.250  6.2117 527.134   280.641  0.0000    0.0000   527.134   280.641  ?       ?      21.250  6.2117 ?              ?        
1 1 1 18 2  5  o 24.049  4.8201 703.179   242.457  667.733   337.078  741.177   349.005  23.441  6.7951 24.657  6.8382 -1.216654      9.640212 
1 1 1 18 2  6  o 21.154  4.5098 561.406   208.602  471.536   292.475  654.458   297.608  19.465  6.4480 22.844  6.3068 -3.378853      9.019512 
1 1 1 18 2  7  o 30.822  6.9757 1594.67   487.612  1697.55   689.683  1491.84   689.490  32.047  9.8268 29.596  9.9034 2.451149       13.95144 
1 1 1 18 2  8  o 16.087  3.8561 292.113   147.247  248.411   195.966  348.781   223.150  15.002  5.2713 17.172  5.6295 -2.170378      7.712176 
1 1 1 18 2  9  o 13.819  3.6636 193.212   138.194  234.482   190.813  147.686   200.411  14.590  5.1937 13.048  5.1684 1.541950       7.327142 
1 1 1 18 2  10 o 21.554  5.0770 713.864   256.138  735.744   369.880  693.704   355.042  21.786  7.2528 21.321  7.1062 0.4644852      10.15392 
1 1 1 18 2  11 o 10.013  2.7358 42.143    96.198   -186.9764 153.872  189.154   123.255  7.3115  3.5252 12.714  4.1846 -5.402398      5.471533 
1 1 1 18 2  12 o 13.764  3.8101 313.515   144.040  423.340   258.899  264.280   173.345  14.586  5.8426 12.941  4.8919 1.645612       7.620114 
1 1 1 18 2  13 o 12.634  3.5863 256.589   136.125  264.276   229.233  252.402   169.185  12.552  5.3058 12.716  4.8265 -0.1641474     7.172644 
1 1 1 18 2  14 o 9.8398  3.2313 126.315   142.962  166.020   273.880  111.445   167.609  10.236  4.8725 9.4434  4.2454 0.7928019      6.462549 
1 1 1 18 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 3  3  o 21.648  6.1667 540.405   279.893  0.0000    0.0000   540.405   279.893  ?       ?      21.648  6.1667 ?              ?        
1 1 1 18 3  4  o 23.077  6.5567 644.188   316.843  0.0000    0.0000   644.188   316.843  ?       ?      23.077  6.5567 ?              ?        
1 1 1 18 3  5  o 20.825  6.2406 512.795   280.418  0.0000    0.0000   512.795   280.418  ?       ?      20.825  6.2406 ?              ?        
1 1 1 18 3  6  o 21.183  4.5037 567.157   208.038  642.201   291.869  489.656   296.608  22.629  6.2449 19.737  6.4912 2.892218       9.007465 
1 1 1 18 3  7  o 26.962  5.8506 1080.28   347.772  963.360   489.361  1199.58   494.324  25.298  8.3386 28.625  8.2088 -3.326504      11.70116 
1 1 1 18 3  8  o 29.056  6.3283 1292.74   405.281  1376.98   569.646  1206.39   576.726  30.249  8.8522 27.864  9.0460 2.385029       12.65668 
1 1 1 18 3  9  o 29.124  6.7269 1440.47   451.200  1384.17   637.217  1497.08   638.972  28.446  9.5206 29.802  9.5061 -1.355862      13.45388 
1 1 1 18 3  10 o 11.559  3.3928 95.806    129.948  132.231   176.913  53.127    191.501  12.062  4.8303 11.056  4.7659 1.005656       6.785697 
1 1 1 18 3  11 o 9.9457  2.7618 79.732    89.745   -166.4891 187.684  152.717   102.184  8.3718  3.9984 11.520  3.8110 -3.147697      5.523696 
1 1 1 18 3  12 o 11.601  3.3740 188.368   126.535  122.580   230.872  216.614   151.279  10.981  4.9553 12.221  4.5804 -1.239317      6.747997 
1 1 1 18 3  13 o 14.330  3.9623 407.244   172.373  324.115   299.366  448.474   210.830  12.846  5.7315 15.814  5.4725 -2.967777      7.924594 
1 1 1 18 3  14 o 10.206  3.1148 145.998   130.853  -58.6909  211.695  272.560   166.462  8.3506  4.0522 12.061  4.7315 -3.710277      6.229590 
1 1 1 18 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 4  3  o 21.388  6.0550 525.763   270.713  0.0000    0.0000   525.763   270.713  ?       ?      21.388  6.0550 ?              ?        
1 1 1 18 4  4  o 9.1219  3.8407 22.539    119.356  0.0000    0.0000   22.539    119.356  ?       ?      9.1219  3.8407 ?              ?        
1 1 1 18 4  5  o 17.536  5.6393 352.980   224.520  0.0000    0.0000   352.980   224.520  ?       ?      17.536  5.6393 ?              ?        
1 1 1 18 4  6  o 29.462  9.1827 1343.42   599.453  0.0000    0.0000   1343.42   599.453  ?       ?      29.462  9.1827 ?              ?        
1 1 1 18 4  7  f 25.555  5.6372 966.685   322.695  1090.81   453.899  839.836   458.861  27.444  7.8648 23.665  8.0783 3.779709       11.27443 
1 1 1 18 4  8  o 12.777  3.2520 158.598   116.916  264.842   152.930  9.1553    181.375  15.099  4.6269 10.455  4.5708 4.644317       6.503907 
1 1 1 18 4  9  o 19.679  4.5151 505.480   203.230  498.935   294.491  511.430   280.816  19.520  6.4703 19.837  6.2992 -0.3176994     9.030228 
1 1 1 18 4  10 f 9.3609  2.9690 -21.3559  110.493  -27.5780  137.504  -10.0153  185.636  8.6074  3.8592 10.114  4.5130 -1.507071      5.938039 
1 1 1 18 4  11 o 12.982  3.1618 214.171   119.704  -25.5499  203.086  341.796   148.182  9.7743  4.5005 16.189  4.4423 -6.414523      6.323641 
1 1 1 18 4  12 o 12.842  3.4011 248.669   128.406  85.334    243.676  311.461   151.086  10.948  4.9992 14.736  4.6128 -3.788520      6.802194 
1 1 1 18 4  13 o 9.8086  3.1244 86.065    119.476  107.269   228.498  78.087    140.162  10.374  4.7755 9.2433  4.0303 1.130466       6.248856 
1 1 1 18 4  14 o 9.4983  3.0606 111.691   130.333  -1.8978   248.787  154.656   153.010  8.9963  4.3718 10.000  4.2844 -1.003972      6.121217 
1 1 1 18 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 5  4  o 14.842  5.0658 232.498   180.443  0.0000    0.0000   232.498   180.443  ?       ?      14.842  5.0658 ?              ?        
1 1 1 18 5  5  o 12.927  4.7840 162.173   163.997  0.0000    0.0000   162.173   163.997  ?       ?      12.927  4.7840 ?              ?        
1 1 1 18 5  6  o 14.641  5.2152 231.615   192.419  0.0000    0.0000   231.615   192.419  ?       ?      14.641  5.2152 ?              ?        
1 1 1 18 5  7  o 11.631  4.6772 104.499   166.633  0.0000    0.0000   104.499   166.633  ?       ?      11.631  4.6772 ?              ?        
1 1 1 18 5  8  o 15.241  3.6254 267.835   139.947  128.419   207.585  383.995   189.482  12.691  5.1778 17.791  5.0759 -5.099443      7.250798 
1 1 1 18 5  9  o 28.235  6.3756 1292.04   406.373  1299.18   572.293  1284.78   577.134  28.370  8.9908 28.100  9.0419 0.2692127      12.75112 
1 1 1 18 5  10 o 17.616  4.3750 424.470   190.786  459.724   278.202  393.169   262.138  18.161  6.2863 17.070  6.0864 1.091230       8.749979 
1 1 1 18 5  11 o 13.039  3.6082 171.047   158.239  391.098   216.358  -82.0359  232.030  16.260  5.5471 9.8169  4.6160 6.443359       7.216496 
1 1 1 18 5  12 o 9.1144  2.8446 35.459    98.857   22.012    165.303  42.945    123.344  9.3793  4.2163 8.8495  3.8197 0.5297832      5.689288 
1 1 1 18 5  13 o 13.963  3.9569 346.771   162.999  741.656   289.978  164.369   197.081  17.321  6.3700 10.606  4.6958 6.714364       7.913793 
1 1 1 18 5  14 o 12.312  3.8277 339.534   162.064  782.773   312.936  177.089   189.448  14.694  6.2046 9.9304  4.4842 4.763261       7.655388 
1 1 1 18 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 6  5  o 7.4499  3.3345 -33.0428  102.192  0.0000    0.0000   -33.0428  102.192  ?       ?      7.4499  3.3345 ?              ?        
1 1 1 18 6  6  o 15.282  5.1730 265.384   188.143  0.0000    0.0000   265.384   188.143  ?       ?      15.282  5.1730 ?              ?        
1 1 1 18 6  7  o 11.526  4.6344 97.226    163.579  0.0000    0.0000   97.226    163.579  ?       ?      11.526  4.6344 ?              ?        
1 1 1 18 6  8  o 12.180  4.6962 132.922   161.803  0.0000    0.0000   132.922   161.803  ?       ?      12.180  4.6962 ?              ?        
1 1 1 18 6  9  o 20.020  4.6217 533.341   212.502  515.185   291.926  553.805   309.926  19.741  6.4372 20.299  6.6334 -0.5579262     9.243377 
1 1 1 18 6  10 o 16.519  4.2744 364.961   188.086  446.284   259.728  275.287   272.737  17.957  6.0779 15.081  6.0117 2.875348       8.548779 
1 1 1 18 6  11 o 13.246  3.5981 175.871   123.181  370.315   235.114  102.303   144.618  15.879  5.7516 10.613  4.3248 5.266473       7.196176 
1 1 1 18 6  12 o 13.831  3.7701 291.688   144.112  268.954   276.243  300.189   168.919  13.306  5.7300 14.356  4.9014 -1.050032      7.540281 
1 1 1 18 6  13 o 9.4096  2.8034 22.482    122.976  -520.9181 223.038  259.840   147.408  6.4759  3.2881 12.343  4.5414 -5.867466      5.606770 
1 1 1 18 6  14 o 8.5741  2.8777 106.839   130.313  126.740   216.938  95.604    162.997  8.7594  4.2138 8.3889  3.9202 0.3704805      5.755312 
1 1 1 18 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 7  5  o 9.9433  4.0424 58.126    125.964  0.0000    0.0000   58.126    125.964  ?       ?      9.9433  4.0424 ?              ?        
1 1 1 18 7  6  o 21.986  6.7282 646.525   323.501  0.0000    0.0000   646.525   323.501  ?       ?      21.986  6.7282 ?              ?        
1 1 1 18 7  7  o 12.491  4.7273 147.141   162.001  0.0000    0.0000   147.141   162.001  ?       ?      12.491  4.7273 ?              ?        
1 1 1 18 7  8  o 23.167  7.3522 747.045   382.598  0.0000    0.0000   747.045   382.598  ?       ?      23.167  7.3522 ?              ?        
1 1 1 18 7  9  o 23.079  7.7449 869.218   421.699  0.0000    0.0000   869.218   421.699  ?       ?      23.079  7.7449 ?              ?        
1 1 1 18 7  10 o 15.829  3.9468 307.488   160.721  416.161   227.646  199.486   226.942  17.852  5.6718 13.806  5.4900 4.046190       7.893647 
1 1 1 18 7  11 f 15.166  3.5785 389.848   145.747  172.355   278.183  472.139   171.113  12.024  5.4312 18.308  4.6610 -6.284699      7.157002 
1 1 1 18 7  12 o 16.306  4.0932 546.623   192.880  322.338   345.374  648.279   232.517  12.998  5.9416 19.614  5.6314 -6.616693      8.186316 
1 1 1 18 7  13 o 11.890  3.3564 312.541   146.645  49.629    261.691  432.893   177.056  9.1612  4.4593 14.618  5.0176 -5.456787      6.712743 
1 1 1 18 7  14 o 7.4421  2.5942 1.5021    121.248  25.971    261.072  -5.2269   136.908  7.9395  3.9682 6.9448  3.3425 0.9947095      5.188384 
1 1 1 18 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 8  6  o 8.8290  3.9695 -41.2789  146.571  0.0000    0.0000   -41.2789  146.571  ?       ?      8.8290  3.9695 ?              ?        
1 1 1 18 8  7  o 14.583  5.3734 236.527   206.480  0.0000    0.0000   236.527   206.480  ?       ?      14.583  5.3734 ?              ?        
1 1 1 18 8  8  o 20.233  6.4410 535.637   293.460  0.0000    0.0000   535.637   293.460  ?       ?      20.233  6.4410 ?              ?        
1 1 1 18 8  9  o 13.779  5.4257 202.211   219.655  0.0000    0.0000   202.211   219.655  ?       ?      13.779  5.4257 ?              ?        
1 1 1 18 8  10 o 18.699  6.9984 608.659   352.909  0.0000    0.0000   608.659   352.909  ?       ?      18.699  6.9984 ?              ?        
1 1 1 18 8  11 o 8.6077  2.7202 29.406    94.768   -75.5552  180.906  69.104    111.255  8.3518  3.9711 8.8637  3.7188 -0.5118599     5.440473 
1 1 1 18 8  12 o 9.8445  3.0244 52.794    104.496  212.700   186.076  -20.8650  126.290  11.953  4.8922 7.7363  3.5572 4.216277       6.048797 
1 1 1 18 8  13 o 9.9008  3.1075 169.460   129.193  30.670    261.101  214.456   148.668  9.0041  4.3984 10.797  4.3908 -1.793312      6.214910 
1 1 1 18 8  14 o 10.663  3.3816 348.249   161.896  257.785   308.730  382.560   190.136  9.4448  4.6479 11.882  4.9131 -2.437344      6.763263 
1 1 1 18 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 9  7  o 20.451  6.3483 530.919   286.834  0.0000    0.0000   530.919   286.834  ?       ?      20.451  6.3483 ?              ?        
1 1 1 18 9  8  o 16.996  6.0232 361.406   256.346  0.0000    0.0000   361.406   256.346  ?       ?      16.996  6.0232 ?              ?        
1 1 1 18 9  9  o 17.643  6.1138 432.335   263.172  0.0000    0.0000   432.335   263.172  ?       ?      17.643  6.1138 ?              ?        
1 1 1 18 9  10 o 15.852  6.2296 391.377   289.038  0.0000    0.0000   391.377   289.038  ?       ?      15.852  6.2296 ?              ?        
1 1 1 18 9  11 o 14.604  4.4512 292.426   141.776  0.0000    0.0000   292.426   141.776  ?       ?      14.604  4.4512 ?              ?        
1 1 1 18 9  12 o 16.256  3.7867 579.170   180.969  257.378   341.454  704.869   213.408  11.738  5.5438 20.774  5.1598 -9.035730      7.573440 
1 1 1 18 9  13 o 13.415  5.0448 362.910   183.809  0.0000    0.0000   362.910   183.809  ?       ?      13.415  5.0448 ?              ?        
1 1 1 18 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 10 7  o 18.230  6.2212 421.977   272.141  0.0000    0.0000   421.977   272.141  ?       ?      18.230  6.2212 ?              ?        
1 1 1 18 10 8  o 13.158  5.2364 174.445   206.617  0.0000    0.0000   174.445   206.617  ?       ?      13.158  5.2364 ?              ?        
1 1 1 18 10 9  o 15.243  5.8632 281.038   251.764  0.0000    0.0000   281.038   251.764  ?       ?      15.243  5.8632 ?              ?        
1 1 1 18 10 10 o 9.5277  4.2820 30.087    170.367  0.0000    0.0000   30.087    170.367  ?       ?      9.5277  4.2820 ?              ?        
1 1 1 18 10 11 o 14.448  4.7809 309.600   160.805  0.0000    0.0000   309.600   160.805  ?       ?      14.448  4.7809 ?              ?        
1 1 1 18 10 12 o 18.130  6.3255 810.651   281.947  0.0000    0.0000   810.651   281.947  ?       ?      18.130  6.3255 ?              ?        
1 1 1 18 10 13 o 10.802  3.0332 236.458   131.739  -156.7968 244.012  398.240   156.509  7.6213  3.8133 13.982  4.7181 -6.361186      6.066469 
1 1 1 18 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 11 8  o 11.370  4.6667 103.301   169.913  0.0000    0.0000   103.301   169.913  ?       ?      11.370  4.6667 ?              ?        
1 1 1 18 11 9  o 8.1608  3.9358 -177.4025 192.116  0.0000    0.0000   -177.4025 192.116  ?       ?      8.1608  3.9358 ?              ?        
1 1 1 18 11 10 o 6.2865  2.9108 -40.0283  86.698   0.0000    0.0000   -40.0283  86.698   ?       ?      6.2865  2.9108 ?              ?        
1 1 1 18 11 11 o 6.7969  3.1135 -25.4271  95.507   0.0000    0.0000   -25.4271  95.507   ?       ?      6.7969  3.1135 ?              ?        
1 1 1 18 11 12 o 9.0491  3.8805 116.513   125.721  0.0000    0.0000   116.513   125.721  ?       ?      9.0491  3.8805 ?              ?        
1 1 1 18 11 13 o 9.5886  4.1078 201.718   140.634  0.0000    0.0000   201.718   140.634  ?       ?      9.5886  4.1078 ?              ?        
1 1 1 18 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 12 8  o 15.874  5.7459 321.185   234.594  0.0000    0.0000   321.185   234.594  ?       ?      15.874  5.7459 ?              ?        
1 1 1 18 12 9  o 9.3000  4.3380 -55.7638  198.160  0.0000    0.0000   -55.7638  198.160  ?       ?      9.3000  4.3380 ?              ?        
1 1 1 18 12 10 o 17.596  4.2607 406.790   148.345  0.0000    0.0000   406.790   148.345  ?       ?      17.596  4.2607 ?              ?        
1 1 1 18 12 11 o 10.960  4.0729 175.035   119.107  0.0000    0.0000   175.035   119.107  ?       ?      10.960  4.0729 ?              ?        
1 1 1 18 12 12 o 10.186  4.1714 159.402   135.377  0.0000    0.0000   159.402   135.377  ?       ?      10.186  4.1714 ?              ?        
1 1 1 18 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 13 9  o 10.100  4.6582 44.913    218.810  0.0000    0.0000   44.913    218.810  ?       ?      10.100  4.6582 ?              ?        
1 1 1 18 13 10 o 9.0471  3.7178 80.404    107.997  0.0000    0.0000   80.404    107.997  ?       ?      9.0471  3.7178 ?              ?        
1 1 1 18 13 11 o 9.3681  3.9096 126.873   122.002  0.0000    0.0000   126.873   122.002  ?       ?      9.3681  3.9096 ?              ?        
1 1 1 18 13 12 o 6.3692  3.0174 -19.7278  102.611  0.0000    0.0000   -19.7278  102.611  ?       ?      6.3692  3.0174 ?              ?        
1 1 1 18 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 14 9  o 10.944  4.8012 107.374   201.653  0.0000    0.0000   107.374   201.653  ?       ?      10.944  4.8012 ?              ?        
1 1 1 18 14 10 o 11.776  4.3485 214.172   135.351  0.0000    0.0000   214.172   135.351  ?       ?      11.776  4.3485 ?              ?        
1 1 1 18 14 11 o 5.5646  2.7900 -265.8574 133.827  0.0000    0.0000   -265.8574 133.827  ?       ?      5.5646  2.7900 ?              ?        
1 1 1 18 14 12 o 8.0550  3.6411 78.999    125.273  0.0000    0.0000   78.999    125.273  ?       ?      8.0550  3.6411 ?              ?        
1 1 1 18 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 15 10 f 7.0016  3.2148 4.7001    102.639  0.0000    0.0000   4.7001    102.639  ?       ?      7.0016  3.2148 ?              ?        
1 1 1 18 15 11 o 7.9303  3.4666 79.544    104.295  0.0000    0.0000   79.544    104.295  ?       ?      7.9303  3.4666 ?              ?        
1 1 1 18 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 16 10 o 8.5659  4.1257 -21.7373  209.454  0.0000    0.0000   -21.7373  209.454  ?       ?      8.5659  4.1257 ?              ?        
1 1 1 18 16 11 o 9.2810  4.4654 190.033   243.835  0.0000    0.0000   190.033   243.835  ?       ?      9.2810  4.4654 ?              ?        
1 1 1 18 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 17 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 19 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 20 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 21 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 22 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 22 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 22 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 22 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 22 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 22 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 23 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 23 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 23 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 18 23 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 1  1  o 21.216  5.8460 515.417   256.001  0.0000    0.0000   515.417   256.001  ?       ?      21.216  5.8460 ?              ?        
1 1 1 19 1  2  o 29.749  8.2637 1158.09   509.251  0.0000    0.0000   1158.09   509.251  ?       ?      29.749  8.2637 ?              ?        
1 1 1 19 1  3  o 23.154  6.6769 654.791   326.224  0.0000    0.0000   654.791   326.224  ?       ?      23.154  6.6769 ?              ?        
1 1 1 19 1  4  o 19.013  5.8647 424.124   245.241  0.0000    0.0000   424.124   245.241  ?       ?      19.013  5.8647 ?              ?        
1 1 1 19 1  5  o 10.168  2.7432 42.451    84.207   -52.8516  109.728  178.983   131.336  7.4338  3.3791 12.902  4.3222 -5.467771      5.486351 
1 1 1 19 1  6  o 16.584  3.5772 303.149   147.815  521.391   207.634  78.889    210.478  21.018  5.0103 12.149  5.1071 8.868524       7.154358 
1 1 1 19 1  7  o 13.858  3.5775 194.268   130.443  136.807   179.494  258.580   189.894  12.571  4.9184 15.145  5.1964 -2.574788      7.154929 
1 1 1 19 1  8  o 24.445  4.9946 798.523   282.601  423.513   397.949  1180.05   401.389  18.649  7.3159 30.240  6.8015 -11.59101      9.989135 
1 1 1 19 1  9  o 19.083  4.3556 475.883   189.707  444.860   270.105  506.084   266.504  18.487  6.1984 19.679  6.1210 -1.191046      8.711292 
1 1 1 19 1  10 o 14.803  3.8574 269.713   150.958  292.214   203.399  242.120   225.240  15.245  5.3692 14.361  5.5398 0.8839760      7.714742 
1 1 1 19 1  11 o 11.081  3.2600 56.360    134.044  242.684   186.428  -143.0658 192.871  13.605  5.0876 8.5572  4.0776 5.047843       6.520019 
1 1 1 19 1  12 o 16.560  3.3693 443.726   163.845  -47.9899  278.630  703.628   202.570  10.340  4.9199 22.780  4.6046 -12.43989      6.738521 
1 1 1 19 1  13 o 8.6331  2.9087 2.1486    119.670  83.847    240.426  -24.7579  137.976  9.6997  4.6021 7.5665  3.5584 2.133271       5.817304 
1 1 1 19 1  14 o 8.2203  2.8692 14.975    147.843  285.181   265.282  -106.7563 178.057  9.5498  4.6105 6.8909  3.4164 2.658961       5.738369 
1 1 1 19 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 2  2  o 33.451  9.8821 1652.18   706.955  0.0000    0.0000   1652.18   706.955  ?       ?      33.451  9.8821 ?              ?        
1 1 1 19 2  3  o 28.667  8.0872 1071.58   483.810  0.0000    0.0000   1071.58   483.810  ?       ?      28.667  8.0872 ?              ?        
1 1 1 19 2  4  o 24.379  7.1346 759.382   370.031  0.0000    0.0000   759.382   370.031  ?       ?      24.379  7.1346 ?              ?        
1 1 1 19 2  5  o 27.165  5.7872 1057.23   341.069  1112.60   477.141  999.375   487.720  28.068  8.0695 26.262  8.2975 1.806156       11.57436 
1 1 1 19 2  6  o 32.408  7.9059 2088.74   623.802  2210.54   881.710  1966.68   882.667  33.632  11.198 31.185  11.163 2.446646       15.81180 
1 1 1 19 2  7  o 18.918  4.1024 427.806   182.101  617.938   255.915  232.798   259.176  22.578  5.6740 15.257  5.9265 7.321361       8.204720 
1 1 1 19 2  8  o 24.956  5.3327 862.713   290.996  955.808   405.548  763.915   417.785  26.546  7.3747 23.367  7.7048 3.178831       10.66536 
1 1 1 19 2  9  o 26.739  6.3461 1257.79   400.772  1312.42   569.068  1204.02   564.513  27.390  8.9904 26.088  8.9590 1.302023       12.69217 
1 1 1 19 2  10 o 10.324  3.0496 7.6161    118.286  -174.4261 171.200  173.895   163.620  7.9781  3.8127 12.671  4.7607 -4.692429      6.099269 
1 1 1 19 2  11 o 13.512  3.7437 246.365   147.240  246.316   209.058  246.413   207.410  13.511  5.3018 13.512  5.2870 -0.1604080E-02 7.487401 
1 1 1 19 2  12 o 19.260  4.7785 703.208   214.320  1003.97   387.373  570.529   257.285  20.760  7.3991 17.760  6.0491 3.000437       9.557092 
1 1 1 19 2  13 o 10.069  3.1489 155.081   125.358  124.244   203.871  173.829   158.961  9.7774  4.5046 10.361  4.4011 -0.5839224     6.297706 
1 1 1 19 2  14 o 6.5238  2.2920 -139.4080 119.128  -326.8299 197.638  -32.4562  149.298  6.1181  3.1053 6.9294  3.3719 -0.8113041     4.583925 
1 1 1 19 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 3  3  o 9.8887  4.0037 53.507    122.997  0.0000    0.0000   53.507    122.997  ?       ?      9.8887  4.0037 ?              ?        
1 1 1 19 3  4  o 8.0713  3.4764 1.4047    101.723  0.0000    0.0000   1.4047    101.723  ?       ?      8.0713  3.4764 ?              ?        
1 1 1 19 3  5  o 26.788  8.0246 1011.22   463.713  0.0000    0.0000   1011.22   463.713  ?       ?      26.788  8.0246 ?              ?        
1 1 1 19 3  6  o 15.961  3.6620 277.985   141.449  139.898   190.748  446.688   210.837  12.728  5.0421 19.193  5.3121 -6.464524      7.324016 
1 1 1 19 3  7  o 22.955  4.9253 694.336   250.792  831.612   351.703  552.323   357.719  25.336  6.7990 20.573  7.1279 4.763254       9.850570 
1 1 1 19 3  8  o 21.719  4.7724 618.901   229.017  619.722   315.873  617.991   332.526  21.805  6.6436 21.632  6.8531 0.1729145      9.544763 
1 1 1 19 3  9  o 16.162  4.1397 329.778   173.932  260.910   242.324  402.962   249.801  14.901  5.7465 17.424  5.9603 -2.523078      8.279380 
1 1 1 19 3  10 o 8.7258  2.8151 -75.7279  111.385  12.311    159.419  -159.6995 155.693  9.7823  4.2808 7.6694  3.6570 2.112902       5.630188 
1 1 1 19 3  11 o 10.889  3.3585 87.324    141.477  196.101   203.050  -15.3118  197.235  12.254  5.0730 9.5230  4.4026 2.731454       6.717015 
1 1 1 19 3  12 o 13.798  3.7495 322.835   147.220  283.869   248.792  343.832   182.626  12.959  5.5052 14.637  5.0918 -1.678028      7.498906 
1 1 1 19 3  13 o 8.0656  2.7395 -19.2517  123.163  -58.2679  222.273  -1.9646   147.954  8.3099  4.0591 7.8213  3.6803 0.4886222      5.479088 
1 1 1 19 3  14 o 8.3213  2.7665 115.128   124.934  -22.1668  211.222  189.007   154.943  7.4905  3.7150 9.1520  4.1004 -1.661508      5.533068 
1 1 1 19 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 4  3  o 8.4071  3.5292 18.448    100.292  0.0000    0.0000   18.448    100.292  ?       ?      8.4071  3.5292 ?              ?        
1 1 1 19 4  4  o 21.666  6.5239 595.568   305.907  0.0000    0.0000   595.568   305.907  ?       ?      21.666  6.5239 ?              ?        
1 1 1 19 4  5  o 24.443  7.3690 803.368   390.122  0.0000    0.0000   803.368   390.122  ?       ?      24.443  7.3690 ?              ?        
1 1 1 19 4  6  o 26.739  8.5774 1131.34   519.658  0.0000    0.0000   1131.34   519.658  ?       ?      26.739  8.5774 ?              ?        
1 1 1 19 4  7  o 19.250  4.3047 470.263   187.365  538.009   263.415  400.889   266.562  20.582  6.0186 17.919  6.1562 2.663015       8.609413 
1 1 1 19 4  8  o 11.262  3.1450 46.347    110.678  -67.5417  141.893  223.300   176.868  8.3319  3.8086 14.191  5.0058 -5.859342      6.289996 
1 1 1 19 4  9  o 21.338  5.0570 697.227   258.673  563.993   363.287  834.241   368.404  19.253  7.1212 23.423  7.1820 -4.170540      10.11399 
1 1 1 19 4  10 o 12.853  3.6449 160.720   142.163  177.968   185.370  136.088   221.523  12.988  5.0212 12.718  5.2846 0.2697783      7.289721 
1 1 1 19 4  11 o 12.262  3.6743 158.379   157.725  -9.5546   198.583  445.347   259.591  9.3356  4.3506 15.188  5.9224 -5.851955      7.348647 
1 1 1 19 4  12 o 12.082  3.3940 99.017    123.474  495.627   230.722  -60.1630  146.167  16.410  5.7223 7.7540  3.6515 8.656410       6.788058 
1 1 1 19 4  13 o 10.230  3.3123 197.679   143.495  306.722   259.020  149.394   172.362  10.864  5.0306 9.5964  4.3104 1.267777       6.624667 
1 1 1 19 4  14 o 7.9552  2.7267 62.955    132.327  8.8016    249.351  84.185    156.126  7.9024  3.9385 8.0080  3.7719 -0.1055522     5.453337 
1 1 1 19 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 5  4  o 14.823  5.1562 242.777   187.275  0.0000    0.0000   242.777   187.275  ?       ?      14.823  5.1562 ?              ?        
1 1 1 19 5  5  o 7.8444  3.5930 -69.4308  127.140  0.0000    0.0000   -69.4308  127.140  ?       ?      7.8444  3.5930 ?              ?        
1 1 1 19 5  6  o 27.086  8.6300 1154.98   526.744  0.0000    0.0000   1154.98   526.744  ?       ?      27.086  8.6300 ?              ?        
1 1 1 19 5  7  o 17.328  5.9736 376.948   251.085  0.0000    0.0000   376.948   251.085  ?       ?      17.328  5.9736 ?              ?        
1 1 1 19 5  8  f 17.412  3.9189 343.311   166.609  149.421   225.751  575.247   246.909  13.340  5.4160 21.483  5.6654 -8.143453      7.837706 
1 1 1 19 5  9  o 14.685  3.8203 257.096   150.469  311.077   198.623  184.391   230.510  15.777  5.3152 13.593  5.4888 2.183927       7.640590 
1 1 1 19 5  10 o 10.331  3.1315 -34.2738  133.883  195.120   184.250  -290.8815 194.873  12.994  5.0109 7.6681  3.7571 5.325456       6.262990 
1 1 1 19 5  11 o 13.086  3.9993 313.246   193.107  231.069   268.761  400.945   277.646  12.131  5.4202 14.042  5.8822 -1.910913      7.998680 
1 1 1 19 5  12 o 15.933  3.4255 452.582   158.320  51.162    277.772  645.733   192.680  10.638  5.0169 21.229  4.6654 -10.59101      6.850957 
1 1 1 19 5  13 o 7.5870  2.5769 -41.4531  105.689  55.996    179.213  -93.4178  130.868  8.6251  4.0560 6.5489  3.1798 2.076246       5.153848 
1 1 1 19 5  14 o 7.9956  3.7786 -88.7827  132.904  -432.8728 241.856  60.071    159.075  ?       ?      7.9956  3.7786 ?              ?        
1 1 1 19 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 6  5  o 23.794  7.1865 776.527   370.789  0.0000    0.0000   776.527   370.789  ?       ?      23.794  7.1865 ?              ?        
1 1 1 19 6  6  o 22.801  6.8547 678.019   337.919  0.0000    0.0000   678.019   337.919  ?       ?      22.801  6.8547 ?              ?        
1 1 1 19 6  7  o 23.104  7.2352 728.968   371.658  0.0000    0.0000   728.968   371.658  ?       ?      23.104  7.2352 ?              ?        
1 1 1 19 6  8  o 18.506  6.1050 433.628   262.288  0.0000    0.0000   433.628   262.288  ?       ?      18.506  6.1050 ?              ?        
1 1 1 19 6  9  f 7.7835  2.5662 -92.9697  97.964   -105.2036 140.421  -81.3693  136.737  7.7075  3.6135 7.8595  3.6448 -0.1519790     5.132464 
1 1 1 19 6  10 o 15.703  4.2200 396.158   183.977  334.267   254.928  463.430   265.778  14.707  5.8280 16.699  6.1049 -1.992004      8.440100 
1 1 1 19 6  11 o 13.382  3.5864 258.949   124.364  347.782   224.305  219.521   149.436  14.300  5.5249 12.464  4.5745 1.836351       7.172891 
1 1 1 19 6  12 o 8.1502  2.5959 -7.5745   97.395   -235.9703 182.178  83.828    115.247  7.1539  3.5300 9.1466  3.8070 -1.992700      5.191782 
1 1 1 19 6  13 o 10.154  2.9757 128.602   129.403  -326.4851 248.924  297.131   151.481  7.4606  3.7494 12.848  4.6218 -5.387048      5.951429 
1 1 1 19 6  14 o 6.4411  2.2819 -202.4098 121.008  -186.0862 192.835  -213.0134 155.418  6.8126  3.4059 6.0696  3.0378 0.7430615      4.563799 
1 1 1 19 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 7  5  o 16.326  5.4537 320.561   209.094  0.0000    0.0000   320.561   209.094  ?       ?      16.326  5.4537 ?              ?        
1 1 1 19 7  6  o 22.577  7.0855 699.816   356.221  0.0000    0.0000   699.816   356.221  ?       ?      22.577  7.0855 ?              ?        
1 1 1 19 7  7  o 10.531  4.3497 61.863    148.796  0.0000    0.0000   61.863    148.796  ?       ?      10.531  4.3497 ?              ?        
1 1 1 19 7  8  o 19.982  6.7914 568.612   324.303  0.0000    0.0000   568.612   324.303  ?       ?      19.982  6.7914 ?              ?        
1 1 1 19 7  9  o 15.209  5.8341 287.266   248.843  0.0000    0.0000   287.266   248.843  ?       ?      15.209  5.8341 ?              ?        
1 1 1 19 7  10 o 20.050  5.2542 767.034   279.967  766.297   387.487  767.839   404.959  20.190  7.3729 19.910  7.4879 0.2799759      10.50846 
1 1 1 19 7  11 o 8.6616  4.2039 -197.2129 228.092  0.0000    0.0000   -197.2129 228.092  ?       ?      8.6616  4.2039 ?              ?        
1 1 1 19 7  12 o 9.8141  3.1137 100.324   115.719  132.266   229.755  89.467    133.949  10.401  4.7883 9.2271  3.9817 1.173988       6.227441 
1 1 1 19 7  13 o 9.2604  3.0734 -179.6631 128.017  462.675   244.636  -421.8917 150.228  13.273  5.5374 5.2482  2.6681 8.024418       6.146702 
1 1 1 19 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 8  7  o 21.286  6.8693 614.432   332.919  0.0000    0.0000   614.432   332.919  ?       ?      21.286  6.8693 ?              ?        
1 1 1 19 8  8  o 14.581  5.3521 253.331   204.566  0.0000    0.0000   253.331   204.566  ?       ?      14.581  5.3521 ?              ?        
1 1 1 19 8  9  f 17.472  6.3752 419.506   289.630  0.0000    0.0000   419.506   289.630  ?       ?      17.472  6.3752 ?              ?        
1 1 1 19 8  10 o 13.305  5.6562 279.307   262.935  0.0000    0.0000   279.307   262.935  ?       ?      13.305  5.6562 ?              ?        
1 1 1 19 8  11 o 15.079  3.8682 397.223   155.989  322.468   274.814  432.756   189.469  13.518  5.7654 16.641  5.1586 -3.122530      7.736347 
1 1 1 19 8  12 o 12.923  3.5317 354.002   146.645  194.997   262.001  426.539   176.961  10.650  4.9744 15.196  5.0147 -4.546194      7.063397 
1 1 1 19 8  13 o 6.6984  2.3472 -140.9057 117.325  -240.4601 198.783  -87.6860  145.340  6.6962  3.3633 6.7006  3.2749 -0.4400730E-02 4.694331 
1 1 1 19 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 9  7  o 12.548  4.8223 151.361   170.202  0.0000    0.0000   151.361   170.202  ?       ?      12.548  4.8223 ?              ?        
1 1 1 19 9  8  o 9.5746  4.3566 -45.1174  182.978  0.0000    0.0000   -45.1174  182.978  ?       ?      9.5746  4.3566 ?              ?        
1 1 1 19 9  9  f 12.773  5.1208 205.723   199.072  0.0000    0.0000   205.723   199.072  ?       ?      12.773  5.1208 ?              ?        
1 1 1 19 9  10 o 8.5485  4.0028 -35.8553  171.392  0.0000    0.0000   -35.8553  171.392  ?       ?      8.5485  4.0028 ?              ?        
1 1 1 19 9  11 o 10.102  4.0310 121.502   122.745  0.0000    0.0000   121.502   122.745  ?       ?      10.102  4.0310 ?              ?        
1 1 1 19 9  12 o 9.2233  2.7875 114.200   107.718  -150.7089 210.231  208.505   125.434  7.4971  3.7161 10.950  4.1559 -3.452539      5.575072 
1 1 1 19 9  13 o 8.0674  3.7588 97.496    148.108  0.0000    0.0000   97.496    148.108  ?       ?      8.0674  3.7588 ?              ?        
1 1 1 19 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 10 7  o 13.706  5.1689 212.448   193.248  0.0000    0.0000   212.448   193.248  ?       ?      13.706  5.1689 ?              ?        
1 1 1 19 10 8  o 17.989  6.4197 446.400   291.695  0.0000    0.0000   446.400   291.695  ?       ?      17.989  6.4197 ?              ?        
1 1 1 19 10 9  o 14.351  5.5873 281.561   230.774  0.0000    0.0000   281.561   230.774  ?       ?      14.351  5.5873 ?              ?        
1 1 1 19 10 10 o 10.520  4.6194 82.847    187.041  0.0000    0.0000   82.847    187.041  ?       ?      10.520  4.6194 ?              ?        
1 1 1 19 10 11 f 7.1005  3.2357 -10.8645  101.424  0.0000    0.0000   -10.8645  101.424  ?       ?      7.1005  3.2357 ?              ?        
1 1 1 19 10 12 o 5.9922  2.9320 -133.6541 117.462  0.0000    0.0000   -133.6541 117.462  ?       ?      5.9922  2.9320 ?              ?        
1 1 1 19 10 13 o 6.7843  3.2382 -25.5587  122.713  0.0000    0.0000   -25.5587  122.713  ?       ?      6.7843  3.2382 ?              ?        
1 1 1 19 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 11 9  o 10.678  4.8329 105.793   221.523  0.0000    0.0000   105.793   221.523  ?       ?      10.678  4.8329 ?              ?        
1 1 1 19 11 10 o 12.926  5.4431 280.180   239.765  0.0000    0.0000   280.180   239.765  ?       ?      12.926  5.4431 ?              ?        
1 1 1 19 11 11 o 10.401  4.0140 160.247   118.301  0.0000    0.0000   160.247   118.301  ?       ?      10.401  4.0140 ?              ?        
1 1 1 19 11 12 o 9.6953  4.1346 156.617   141.304  0.0000    0.0000   156.617   141.304  ?       ?      9.6953  4.1346 ?              ?        
1 1 1 19 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 12 8  o 14.656  5.6550 302.232   234.758  0.0000    0.0000   302.232   234.758  ?       ?      14.656  5.6550 ?              ?        
1 1 1 19 12 9  o 13.192  5.6110 261.531   259.025  0.0000    0.0000   261.531   259.025  ?       ?      13.192  5.6110 ?              ?        
1 1 1 19 12 10 o 11.520  5.0535 189.165   223.355  0.0000    0.0000   189.165   223.355  ?       ?      11.520  5.0535 ?              ?        
1 1 1 19 12 11 o 12.447  4.7894 324.825   168.029  0.0000    0.0000   324.825   168.029  ?       ?      12.447  4.7894 ?              ?        
1 1 1 19 12 12 o 6.6678  3.1655 -1.7819   114.104  0.0000    0.0000   -1.7819   114.104  ?       ?      6.6678  3.1655 ?              ?        
1 1 1 19 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 13 10 o 7.3851  3.6366 -184.3597 189.996  0.0000    0.0000   -184.3597 189.996  ?       ?      7.3851  3.6366 ?              ?        
1 1 1 19 13 11 o 12.773  4.8650 322.122   172.273  0.0000    0.0000   322.122   172.273  ?       ?      12.773  4.8650 ?              ?        
1 1 1 19 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 14 9  o 11.258  4.9853 173.782   222.232  0.0000    0.0000   173.782   222.232  ?       ?      11.258  4.9853 ?              ?        
1 1 1 19 14 10 o 8.7210  3.7697 98.767    120.478  0.0000    0.0000   98.767    120.478  ?       ?      8.7210  3.7697 ?              ?        
1 1 1 19 14 11 o 9.9858  4.0260 207.574   123.806  0.0000    0.0000   207.574   123.806  ?       ?      9.9858  4.0260 ?              ?        
1 1 1 19 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 15 10 o 9.1300  3.8786 111.631   123.487  0.0000    0.0000   111.631   123.487  ?       ?      9.1300  3.8786 ?              ?        
1 1 1 19 15 11 o 10.259  4.0893 200.209   126.195  0.0000    0.0000   200.209   126.195  ?       ?      10.259  4.0893 ?              ?        
1 1 1 19 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 16 10 o 8.7051  3.9004 146.878   140.206  0.0000    0.0000   146.878   140.206  ?       ?      8.7051  3.9004 ?              ?        
1 1 1 19 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 17 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 18 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 19 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 20 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 21 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 22 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 22 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 22 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 22 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 22 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 23 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 19 23 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 1  1  o 21.387  6.0841 549.262   272.645  0.0000    0.0000   549.262   272.645  ?       ?      21.387  6.0841 ?              ?        
1 1 1 20 1  2  o 16.193  5.2354 299.459   193.315  0.0000    0.0000   299.459   193.315  ?       ?      16.193  5.2354 ?              ?        
1 1 1 20 1  3  o 22.594  6.7818 661.903   330.957  0.0000    0.0000   661.903   330.957  ?       ?      22.594  6.7818 ?              ?        
1 1 1 20 1  4  o 22.162  6.7335 633.012   324.815  0.0000    0.0000   633.012   324.815  ?       ?      22.162  6.7335 ?              ?        
1 1 1 20 1  5  o 18.959  6.0789 456.268   261.037  0.0000    0.0000   456.268   261.037  ?       ?      18.959  6.0789 ?              ?        
1 1 1 20 1  6  o 19.963  4.3686 495.566   192.205  503.692   275.647  487.876   268.145  20.095  6.2209 19.831  6.1351 0.2636166      8.737205 
1 1 1 20 1  7  o 26.391  5.6399 993.688   322.888  1002.54   456.438  984.817   456.828  26.528  7.9647 26.255  7.9874 0.2734737      11.27985 
1 1 1 20 1  8  o 30.485  7.4593 1827.93   558.400  1636.66   788.017  2020.83   791.389  28.507  10.498 32.464  10.599 -3.956131      14.91862 
1 1 1 20 1  9  o 15.863  4.0628 325.672   167.374  271.946   239.236  377.180   234.248  14.906  5.7198 16.819  5.7714 -1.913008      8.125638 
1 1 1 20 1  10 o 7.3032  2.5229 -231.5769 121.587  -204.2785 172.489  -258.5368 171.416  7.5051  3.6456 7.1014  3.4884 0.4037671      5.045722 
1 1 1 20 1  11 o 13.247  3.7730 264.109   161.314  140.510   241.165  364.185   217.007  11.595  5.1609 14.899  5.5053 -3.304594      7.546038 
1 1 1 20 1  12 o 9.0755  2.8602 28.603    101.047  161.140   170.976  -42.5401  125.265  10.820  4.5785 7.3309  3.4293 3.489140       5.720328 
1 1 1 20 1  13 o 11.965  3.5881 277.997   140.617  433.943   247.614  203.767   170.837  13.122  5.5288 10.807  4.5750 2.314486       7.176255 
1 1 1 20 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 2  2  o 25.066  7.3430 834.898   391.789  0.0000    0.0000   834.898   391.789  ?       ?      25.066  7.3430 ?              ?        
1 1 1 20 2  3  o 11.626  4.4532 118.315   144.849  0.0000    0.0000   118.315   144.849  ?       ?      11.626  4.4532 ?              ?        
1 1 1 20 2  4  o 22.564  6.8345 661.573   335.011  0.0000    0.0000   661.573   335.011  ?       ?      22.564  6.8345 ?              ?        
1 1 1 20 2  5  o 8.7606  3.8498 -9.4879   130.128  0.0000    0.0000   -9.4879   130.128  ?       ?      8.7606  3.8498 ?              ?        
1 1 1 20 2  6  o 17.423  4.0134 363.568   160.712  382.655   218.656  341.141   237.015  17.858  5.5426 16.988  5.8058 0.8694439      8.026708 
1 1 1 20 2  7  o 11.031  3.0558 91.229    100.559  143.169   138.685  33.647    146.021  12.063  4.4100 9.9996  4.2312 2.063548       6.111579 
1 1 1 20 2  8  o 17.277  4.2575 373.217   180.923  398.083   254.506  347.814   257.244  17.739  6.0164 16.815  6.0257 0.9245834      8.515073 
1 1 1 20 2  9  o 21.680  5.1321 735.124   270.093  528.784   369.764  971.149   395.468  18.515  7.1095 24.845  7.4034 -6.330040      10.26425 
1 1 1 20 2  10 o 11.635  3.3401 140.667   121.860  116.532   173.952  163.924   170.763  11.237  4.6772 12.034  4.7694 -0.7963486     6.680121 
1 1 1 20 2  11 o 15.619  4.3702 453.564   204.030  493.194   278.995  408.004   299.141  16.341  6.1991 14.898  6.1616 1.442550       8.740356 
1 1 1 20 2  12 o 14.995  4.4829 594.422   252.388  268.997   355.828  923.912   358.044  11.858  5.6182 18.132  6.9873 -6.273907      8.965850 
1 1 1 20 2  13 o 10.166  3.1763 155.948   133.689  39.407    213.609  230.993   171.411  9.0871  4.3191 11.245  4.6585 -2.157767      6.352670 
1 1 1 20 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 3  3  o 18.139  5.7295 396.044   232.559  0.0000    0.0000   396.044   232.559  ?       ?      18.139  5.7295 ?              ?        
1 1 1 20 3  4  o 21.522  6.4655 591.633   300.718  0.0000    0.0000   591.633   300.718  ?       ?      21.522  6.4655 ?              ?        
1 1 1 20 3  5  o 12.118  4.5214 144.701   147.083  0.0000    0.0000   144.701   147.083  ?       ?      12.118  4.5214 ?              ?        
1 1 1 20 3  6  o 24.179  7.5476 823.041   404.805  0.0000    0.0000   823.041   404.805  ?       ?      24.179  7.5476 ?              ?        
1 1 1 20 3  7  o 24.100  5.2851 808.246   281.550  842.322   396.240  773.497   400.134  24.673  7.4239 23.528  7.5244 1.144358       10.57027 
1 1 1 20 3  8  o 14.905  3.6241 254.776   139.666  381.654   194.450  119.565   200.734  17.505  5.1857 12.306  5.0641 5.198973       7.248233 
1 1 1 20 3  9  o 14.540  3.8827 241.583   162.228  367.311   226.661  109.531   232.292  16.665  5.6777 12.415  5.2978 4.250247       7.765497 
1 1 1 20 3  10 o 8.9196  2.9676 -108.8501 134.066  -156.5714 177.334  -45.1895  204.819  8.0910  3.8704 9.7481  4.4996 -1.657130      5.935191 
1 1 1 20 3  11 o 9.0869  2.9634 -25.0763  121.614  18.660    195.406  -52.7274  155.372  9.8765  4.4971 8.2972  3.8605 1.579329       5.926851 
1 1 1 20 3  12 o 13.032  3.6826 299.703   136.807  443.987   243.369  233.045   165.417  14.217  5.6752 11.847  4.6946 2.370529       7.365253 
1 1 1 20 3  13 o 9.6293  3.1326 118.113   129.591  151.301   249.350  105.831   151.686  10.022  4.7347 9.2364  4.1030 0.7857313      6.265104 
1 1 1 20 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 4  3  o 17.202  5.6001 349.383   220.971  0.0000    0.0000   349.383   220.971  ?       ?      17.202  5.6001 ?              ?        
1 1 1 20 4  4  o 21.830  6.6941 627.132   320.041  0.0000    0.0000   627.132   320.041  ?       ?      21.830  6.6941 ?              ?        
1 1 1 20 4  5  o 14.901  5.3202 249.322   200.362  0.0000    0.0000   249.322   200.362  ?       ?      14.901  5.3202 ?              ?        
1 1 1 20 4  6  o 13.672  5.1671 195.382   193.366  0.0000    0.0000   195.382   193.366  ?       ?      13.672  5.1671 ?              ?        
1 1 1 20 4  7  o 16.012  5.4971 302.918   212.524  0.0000    0.0000   302.918   212.524  ?       ?      16.012  5.4971 ?              ?        
1 1 1 20 4  8  o 8.8026  2.7364 -22.6706  96.265   -101.8253 133.898  62.017    138.498  7.5357  3.5316 10.069  4.1808 -2.533735      5.472774 
1 1 1 20 4  9  o 19.672  4.7127 558.569   221.546  519.144   318.951  595.326   307.966  18.972  6.7190 20.372  6.6102 -1.400454      9.425488 
1 1 1 20 4  10 o 12.379  3.6639 161.289   149.697  130.560   193.790  206.756   235.723  11.659  4.9006 13.100  5.4480 -1.441222      7.327803 
1 1 1 20 4  11 o 16.135  4.6108 509.623   228.787  432.676   304.799  608.926   346.259  15.247  6.2533 17.023  6.7774 -1.776047      9.221572 
1 1 1 20 4  12 f 10.936  3.3775 160.914   126.903  335.355   237.817  91.468    150.053  12.529  5.3539 9.3439  4.1191 3.184985       6.755080 
1 1 1 20 4  13 o 10.269  3.2570 192.922   131.302  232.767   263.148  179.713   151.510  10.363  4.8859 10.176  4.3081 0.1873226      6.513971 
1 1 1 20 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 5  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 5  5  f 21.399  6.4595 581.737   299.625  0.0000    0.0000   581.737   299.625  ?       ?      21.399  6.4595 ?              ?        
1 1 1 20 5  6  o 14.172  5.2619 213.862   198.725  0.0000    0.0000   213.862   198.725  ?       ?      14.172  5.2619 ?              ?        
1 1 1 20 5  7  o 19.235  6.4491 481.271   292.391  0.0000    0.0000   481.271   292.391  ?       ?      19.235  6.4491 ?              ?        
1 1 1 20 5  8  o 20.145  6.9265 600.195   337.476  0.0000    0.0000   600.195   337.476  ?       ?      20.145  6.9265 ?              ?        
1 1 1 20 5  9  o 16.793  4.1817 348.807   180.432  203.266   241.025  534.347   272.137  13.929  5.6167 19.657  6.1967 -5.728328      8.363446 
1 1 1 20 5  10 o 13.363  3.9776 279.466   181.336  225.900   250.622  338.319   262.699  12.642  5.4509 14.083  5.7941 -1.440510      7.955104 
1 1 1 20 5  11 o 13.890  4.0909 348.056   191.455  274.155   281.340  411.798   261.288  12.946  5.6755 14.835  5.8934 -1.888992      8.181830 
1 1 1 20 5  12 o 12.182  3.8246 327.298   207.910  604.499   282.706  0.7647    306.832  14.797  6.0402 9.5675  4.6932 5.229131       7.649227 
1 1 1 20 5  13 o 7.7622  2.6408 -4.2101   117.030  82.555    183.448  -63.7549  151.971  8.5316  4.0397 6.9927  3.4025 1.538821       5.281698 
1 1 1 20 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 6  5  o 15.559  5.2561 279.446   194.238  0.0000    0.0000   279.446   194.238  ?       ?      15.559  5.2561 ?              ?        
1 1 1 20 6  6  o 14.480  5.1269 228.994   185.689  0.0000    0.0000   228.994   185.689  ?       ?      14.480  5.1269 ?              ?        
1 1 1 20 6  7  o 12.925  5.1007 150.198   194.528  0.0000    0.0000   150.198   194.528  ?       ?      12.925  5.1007 ?              ?        
1 1 1 20 6  8  o 22.022  7.3654 753.471   381.378  0.0000    0.0000   753.471   381.378  ?       ?      22.022  7.3654 ?              ?        
1 1 1 20 6  9  o 19.232  4.5095 574.446   229.186  894.131   324.201  255.090   324.034  24.097  6.5536 14.367  6.1962 9.730191       9.019069 
1 1 1 20 6  10 o 10.540  3.2706 110.950   136.409  191.161   186.285  18.214    200.301  11.565  4.8291 9.5150  4.4122 2.049726       6.541212 
1 1 1 20 6  11 f 14.281  4.2855 435.042   211.491  393.824   281.556  488.410   320.378  13.930  5.8838 14.632  6.2325 -0.7024002     8.571075 
1 1 1 20 6  12 o 8.8987  2.8581 21.061    100.667  275.497   187.652  -81.7475  119.283  11.383  4.8054 6.4148  3.0956 4.967815       5.716199 
1 1 1 20 6  13 o 8.8634  3.0379 184.772   156.481  319.415   291.489  130.259   185.473  9.2922  4.5614 8.4345  4.0135 0.8576241      6.075743 
1 1 1 20 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 7  5  o 18.857  6.2557 461.030   275.255  0.0000    0.0000   461.030   275.255  ?       ?      18.857  6.2557 ?              ?        
1 1 1 20 7  6  o 12.863  5.0292 151.517   187.578  0.0000    0.0000   151.517   187.578  ?       ?      12.863  5.0292 ?              ?        
1 1 1 20 7  7  o 28.098  10.277 1746.96   753.342  0.0000    0.0000   1746.96   753.342  ?       ?      28.098  10.277 ?              ?        
1 1 1 20 7  8  o 18.059  6.5027 470.665   299.927  0.0000    0.0000   470.665   299.927  ?       ?      18.059  6.5027 ?              ?        
1 1 1 20 7  9  o 14.478  5.8845 313.339   266.841  0.0000    0.0000   313.339   266.841  ?       ?      14.478  5.8845 ?              ?        
1 1 1 20 7  10 o 10.155  4.6676 41.475    217.156  0.0000    0.0000   41.475    217.156  ?       ?      10.155  4.6676 ?              ?        
1 1 1 20 7  11 o 15.935  7.0078 784.227   431.916  0.0000    0.0000   784.227   431.916  ?       ?      15.935  7.0078 ?              ?        
1 1 1 20 7  12 o 10.898  3.1189 236.771   130.448  -65.3178  261.898  336.445   150.438  8.4685  4.1887 13.328  4.6222 -4.859081      6.237745 
1 1 1 20 7  13 o 8.4399  2.8964 97.360    141.363  193.225   267.075  60.050    166.616  8.9517  4.3886 7.9280  3.7811 1.023682       5.792841 
1 1 1 20 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 8  6  o 21.825  6.8089 640.541   329.499  0.0000    0.0000   640.541   329.499  ?       ?      21.825  6.8089 ?              ?        
1 1 1 20 8  7  o 13.331  5.2837 181.792   209.564  0.0000    0.0000   181.792   209.564  ?       ?      13.331  5.2837 ?              ?        
1 1 1 20 8  8  o 16.707  5.8897 362.927   244.803  0.0000    0.0000   362.927   244.803  ?       ?      16.707  5.8897 ?              ?        
1 1 1 20 8  9  o 13.165  5.5080 208.587   243.013  0.0000    0.0000   208.587   243.013  ?       ?      13.165  5.5080 ?              ?        
1 1 1 20 8  10 o 14.000  5.9051 317.118   282.945  0.0000    0.0000   317.118   282.945  ?       ?      14.000  5.9051 ?              ?        
1 1 1 20 8  11 o 7.4455  3.6343 -155.2699 177.301  0.0000    0.0000   -155.2699 177.301  ?       ?      7.4455  3.6343 ?              ?        
1 1 1 20 8  12 o 12.598  3.8144 312.264   152.158  635.970   298.977  199.114   176.762  14.493  6.0891 10.703  4.5958 3.789494       7.628831 
1 1 1 20 8  13 o 7.6089  2.6092 -19.0869  125.889  -139.2990 213.110  45.345    156.021  7.2803  3.6304 7.9375  3.7484 -0.6572599     5.218304 
1 1 1 20 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 9  6  o 10.438  4.3799 59.119    154.351  0.0000    0.0000   59.119    154.351  ?       ?      10.438  4.3799 ?              ?        
1 1 1 20 9  7  o 18.125  6.4352 467.971   292.747  0.0000    0.0000   467.971   292.747  ?       ?      18.125  6.4352 ?              ?        
1 1 1 20 9  8  o 9.3062  4.3257 -64.3590  194.287  0.0000    0.0000   -64.3590  194.287  ?       ?      9.3062  4.3257 ?              ?        
1 1 1 20 9  9  o 6.4411  3.2228 -344.8665 174.315  0.0000    0.0000   -344.8665 174.315  ?       ?      6.4411  3.2228 ?              ?        
1 1 1 20 9  10 o 10.407  4.6517 91.702    198.154  0.0000    0.0000   91.702    198.154  ?       ?      10.407  4.6517 ?              ?        
1 1 1 20 9  11 o 10.206  4.6890 141.682   218.832  0.0000    0.0000   141.682   218.832  ?       ?      10.206  4.6890 ?              ?        
1 1 1 20 9  12 o 6.4919  3.1623 -102.2513 132.312  0.0000    0.0000   -102.2513 132.312  ?       ?      6.4919  3.1623 ?              ?        
1 1 1 20 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 10 7  o 15.735  5.6845 309.786   229.443  0.0000    0.0000   309.786   229.443  ?       ?      15.735  5.6845 ?              ?        
1 1 1 20 10 8  o 8.9114  4.1974 -107.1844 193.323  0.0000    0.0000   -107.1844 193.323  ?       ?      8.9114  4.1974 ?              ?        
1 1 1 20 10 9  o 12.344  5.2110 213.533   220.647  0.0000    0.0000   213.533   220.647  ?       ?      12.344  5.2110 ?              ?        
1 1 1 20 10 10 o 7.7583  3.7456 -132.7738 175.074  0.0000    0.0000   -132.7738 175.074  ?       ?      7.7583  3.7456 ?              ?        
1 1 1 20 10 11 o 9.6837  4.5633 157.922   228.982  0.0000    0.0000   157.922   228.982  ?       ?      9.6837  4.5633 ?              ?        
1 1 1 20 10 12 o 9.4133  3.9981 186.351   131.164  0.0000    0.0000   186.351   131.164  ?       ?      9.4133  3.9981 ?              ?        
1 1 1 20 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 11 8  o 10.310  4.6999 66.662    214.206  0.0000    0.0000   66.662    214.206  ?       ?      10.310  4.6999 ?              ?        
1 1 1 20 11 9  o 8.8787  4.2507 -119.0161 214.859  0.0000    0.0000   -119.0161 214.859  ?       ?      8.8787  4.2507 ?              ?        
1 1 1 20 11 10 o 8.7742  4.1475 -9.1563   191.826  0.0000    0.0000   -9.1563   191.826  ?       ?      8.7742  4.1475 ?              ?        
1 1 1 20 11 11 o 9.7774  4.0060 138.114   124.922  0.0000    0.0000   138.114   124.922  ?       ?      9.7774  4.0060 ?              ?        
1 1 1 20 11 12 o 8.6706  3.9175 117.813   144.825  0.0000    0.0000   117.813   144.825  ?       ?      8.6706  3.9175 ?              ?        
1 1 1 20 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 12 8  o 14.968  6.2317 437.804   308.904  0.0000    0.0000   437.804   308.904  ?       ?      14.968  6.2317 ?              ?        
1 1 1 20 12 9  o 8.1745  3.9017 -90.7089  178.121  0.0000    0.0000   -90.7089  178.121  ?       ?      8.1745  3.9017 ?              ?        
1 1 1 20 12 10 o 11.535  5.2752 351.705   272.567  0.0000    0.0000   351.705   272.567  ?       ?      11.535  5.2752 ?              ?        
1 1 1 20 12 11 o 10.081  4.0279 179.005   122.714  0.0000    0.0000   179.005   122.714  ?       ?      10.081  4.0279 ?              ?        
1 1 1 20 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 13 9  o 10.505  4.7630 146.451   216.253  0.0000    0.0000   146.451   216.253  ?       ?      10.505  4.7630 ?              ?        
1 1 1 20 13 10 o 12.604  5.7394 508.117   318.324  0.0000    0.0000   508.117   318.324  ?       ?      12.604  5.7394 ?              ?        
1 1 1 20 13 11 o 10.579  4.5293 291.909   170.788  0.0000    0.0000   291.909   170.788  ?       ?      10.579  4.5293 ?              ?        
1 1 1 20 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 14 9  o 8.2967  4.0119 -16.9436  202.899  0.0000    0.0000   -16.9436  202.899  ?       ?      8.2967  4.0119 ?              ?        
1 1 1 20 14 10 o 10.453  5.0326 339.982   310.888  0.0000    0.0000   339.982   310.888  ?       ?      10.453  5.0326 ?              ?        
1 1 1 20 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 15 10 x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 16 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 18 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 19 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 20 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 21 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 21 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 22 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 20 22 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 1  1  o 22.021  6.5510 618.948   309.841  0.0000    0.0000   618.948   309.841  ?       ?      22.021  6.5510 ?              ?        
1 1 1 21 1  2  o 16.000  5.2860 297.647   196.611  0.0000    0.0000   297.647   196.611  ?       ?      16.000  5.2860 ?              ?        
1 1 1 21 1  3  o 11.523  4.4407 118.442   144.620  0.0000    0.0000   118.442   144.620  ?       ?      11.523  4.4407 ?              ?        
1 1 1 21 1  4  o 22.146  6.8595 651.212   335.095  0.0000    0.0000   651.212   335.095  ?       ?      22.146  6.8595 ?              ?        
1 1 1 21 1  5  o 25.564  5.6591 989.351   324.141  871.083   456.769  1109.33   460.056  23.832  8.0602 27.296  7.9458 -3.464622      11.31824 
1 1 1 21 1  6  o 16.826  3.9232 325.639   155.918  227.764   209.847  446.264   232.963  14.599  5.4098 19.053  5.6833 -4.453879      7.846406 
1 1 1 21 1  7  o 13.073  3.4114 136.970   131.388  -30.6899  182.752  316.342   189.028  9.9341  4.4519 16.212  5.1703 -6.277594      6.822840 
1 1 1 21 1  8  o 18.280  4.5341 473.543   204.913  448.597   283.297  500.914   296.751  17.880  6.3323 18.679  6.4910 -0.7992115     9.068160 
1 1 1 21 1  9  o 11.935  3.4342 142.587   129.665  256.889   200.437  60.326    170.038  13.674  5.2382 10.196  4.4425 3.477977       6.868367 
1 1 1 21 1  10 o 12.540  3.7974 259.576   169.844  268.316   241.441  251.015   238.969  12.648  5.3995 12.432  5.3410 0.2165880      7.594818 
1 1 1 21 1  11 o 11.985  3.3624 86.529    154.580  472.660   217.851  -305.0241 219.375  16.367  5.5663 7.6031  3.7734 8.763980       6.724740 
1 1 1 21 1  12 o 7.3712  2.5977 -193.7440 152.760  -234.3427 212.047  -149.9401 220.258  7.1169  3.5600 7.6255  3.7839 -0.5086527     5.195349 
1 1 1 21 1  13 o 9.0327  2.9886 202.633   136.907  162.984   223.391  226.483   173.257  8.6156  4.1766 9.4499  4.2758 -0.8343029     5.977210 
1 1 1 21 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 2  2  o 17.091  5.3684 349.270   204.443  0.0000    0.0000   349.270   204.443  ?       ?      17.091  5.3684 ?              ?        
1 1 1 21 2  3  o 5.9104  2.9104 -237.7468 121.667  0.0000    0.0000   -237.7468 121.667  ?       ?      5.9104  2.9104 ?              ?        
1 1 1 21 2  4  o 22.988  7.0507 705.144   355.030  0.0000    0.0000   705.144   355.030  ?       ?      22.988  7.0507 ?              ?        
1 1 1 21 2  5  o 24.498  7.6978 889.081   420.303  0.0000    0.0000   889.081   420.303  ?       ?      24.498  7.6978 ?              ?        
1 1 1 21 2  6  o 25.820  5.6184 972.930   320.265  860.694   446.829  1091.51   459.274  24.179  7.9679 27.461  7.9234 -3.282120      11.23689 
1 1 1 21 2  7  f 15.850  3.8221 305.786   152.506  401.089   202.985  182.264   231.090  17.952  5.2929 13.748  5.5152 4.204064       7.644160 
1 1 1 21 2  8  o 11.794  3.4634 105.884   135.964  154.235   188.251  53.157    196.585  12.511  4.9921 11.078  4.8018 1.432711       6.926700 
1 1 1 21 2  9  o 18.434  4.8592 648.845   241.040  691.739   337.254  604.055   344.630  19.140  6.8951 17.729  6.8486 1.410366       9.718349 
1 1 1 21 2  10 o 11.812  3.4253 185.810   142.766  307.684   184.838  5.5873    224.772  13.814  5.0850 9.8103  4.5905 4.004216       6.850536 
1 1 1 21 2  11 o 12.954  3.7782 235.834   168.935  501.226   256.144  31.521    224.743  15.933  5.9625 9.9756  4.6420 5.957820       7.556389 
1 1 1 21 2  12 o 8.2465  2.8240 -10.0052  141.904  -18.2199  224.157  -4.5113   183.314  8.3902  4.0934 8.1027  3.8916 0.2875328      5.648044 
1 1 1 21 2  13 o 8.1067  2.7601 84.812    125.050  92.294    250.633  82.333    144.292  8.2806  4.0961 7.9328  3.7008 0.3478279      5.520289 
1 1 1 21 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 3  3  o 20.249  6.3445 536.726   285.737  0.0000    0.0000   536.726   285.737  ?       ?      20.249  6.3445 ?              ?        
1 1 1 21 3  4  o 13.498  4.9684 184.518   176.461  0.0000    0.0000   184.518   176.461  ?       ?      13.498  4.9684 ?              ?        
1 1 1 21 3  5  o 19.711  6.3985 508.094   288.547  0.0000    0.0000   508.094   288.547  ?       ?      19.711  6.3985 ?              ?        
1 1 1 21 3  6  o 8.8446  3.9976 -49.3476  150.962  0.0000    0.0000   -49.3476  150.962  ?       ?      8.8446  3.9976 ?              ?        
1 1 1 21 3  7  o 20.351  4.8287 601.591   231.971  574.389   326.222  629.414   329.921  19.909  6.8113 20.793  6.8464 -0.8842278     9.657486 
1 1 1 21 3  8  o 9.1424  2.8967 -19.3026  109.078  24.553    136.453  -96.9346  181.548  9.3219  4.0206 8.9629  4.1712 0.3589640      5.793472 
1 1 1 21 3  9  o 15.034  4.0631 324.359   182.205  489.740   254.103  149.337   261.405  17.601  6.0115 12.467  5.4679 5.134562       8.126248 
1 1 1 21 3  10 o 11.997  3.4545 152.743   151.406  -103.9165 223.484  370.484   205.844  9.0280  4.3256 14.967  5.3873 -5.938700      6.908985 
1 1 1 21 3  11 o 11.605  3.6449 183.382   169.684  114.353   232.692  261.776   247.975  10.770  4.9054 12.439  5.3925 -1.668814      7.289869 
1 1 1 21 3  12 o 9.3951  3.1303 119.272   153.599  156.067   200.665  67.208    238.696  9.7067  4.4709 9.0836  4.3824 0.6230593      6.260536 
1 1 1 21 3  13 o 8.5378  2.8959 116.917   139.605  106.131   256.217  121.471   166.490  8.5327  4.2058 8.5428  3.9820 -0.1009274E-01 5.791784 
1 1 1 21 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 4  3  o 15.634  5.1870 285.154   189.238  0.0000    0.0000   285.154   189.238  ?       ?      15.634  5.1870 ?              ?        
1 1 1 21 4  4  o 9.9224  4.0282 59.987    124.870  0.0000    0.0000   59.987    124.870  ?       ?      9.9224  4.0282 ?              ?        
1 1 1 21 4  5  o 12.085  4.5788 136.557   152.089  0.0000    0.0000   136.557   152.089  ?       ?      12.085  4.5788 ?              ?        
1 1 1 21 4  6  o 26.516  8.5371 1103.39   514.436  0.0000    0.0000   1103.39   514.436  ?       ?      26.516  8.5371 ?              ?        
1 1 1 21 4  7  f 16.254  5.7217 342.801   230.960  0.0000    0.0000   342.801   230.960  ?       ?      16.254  5.7217 ?              ?        
1 1 1 21 4  8  o 14.818  3.7606 228.031   154.841  445.690   230.061  47.788    209.356  18.340  5.6842 11.296  4.9254 7.044154       7.521266 
1 1 1 21 4  9  o 13.836  3.8786 225.709   167.151  83.033    230.405  384.229   242.861  11.568  5.1015 16.104  5.8437 -4.536653      7.757169 
1 1 1 21 4  10 o 7.7290  2.6617 -205.5089 132.980  -119.6112 167.133  -353.7095 219.531  7.8955  3.7715 7.5625  3.7569 0.3329620      5.323420 
1 1 1 21 4  11 o 12.315  3.7348 254.976   170.250  362.044   235.830  138.442   246.035  13.687  5.5431 10.942  5.0069 2.744907       7.469557 
1 1 1 21 4  12 o 8.5771  2.9566 -46.1596  164.159  -69.6676  227.609  -20.6743  236.988  8.3825  4.0972 8.7717  4.2637 -0.3892174     5.913230 
1 1 1 21 4  13 o 8.3220  2.8072 75.487    124.857  45.223    245.675  86.026    144.976  8.3877  4.1312 8.2562  3.8019 0.1315203      5.614375 
1 1 1 21 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 5  4  o 11.283  4.5620 94.505    159.460  0.0000    0.0000   94.505    159.460  ?       ?      11.283  4.5620 ?              ?        
1 1 1 21 5  5  o 13.697  4.9217 198.186   171.725  0.0000    0.0000   198.186   171.725  ?       ?      13.697  4.9217 ?              ?        
1 1 1 21 5  6  o 19.384  6.4359 487.233   291.322  0.0000    0.0000   487.233   291.322  ?       ?      19.384  6.4359 ?              ?        
1 1 1 21 5  7  o 10.336  4.3625 55.145    154.598  0.0000    0.0000   55.145    154.598  ?       ?      10.336  4.3625 ?              ?        
1 1 1 21 5  8  f 19.749  6.8768 571.228   333.155  0.0000    0.0000   571.228   333.155  ?       ?      19.749  6.8768 ?              ?        
1 1 1 21 5  9  o 13.178  3.8599 210.951   168.838  124.324   234.344  304.451   243.463  11.908  5.2010 14.448  5.7049 -2.540655      7.719877 
1 1 1 21 5  10 o 11.769  3.3600 113.219   145.350  -164.5114 218.284  334.459   194.823  8.6910  4.1924 14.846  5.2520 -6.155083      6.720098 
1 1 1 21 5  11 o 14.089  4.4403 583.476   256.846  421.625   357.301  756.545   369.476  12.707  5.8927 15.471  6.6438 -2.763669      8.880548 
1 1 1 21 5  12 o 8.5279  2.8332 27.894    115.353  -80.3404  249.474  57.328    130.096  8.6273  4.2320 8.4285  3.7681 0.1987543      5.666454 
1 1 1 21 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 6  5  o 19.681  6.4078 503.221   289.306  0.0000    0.0000   503.221   289.306  ?       ?      19.681  6.4078 ?              ?        
1 1 1 21 6  6  o 19.460  6.3411 505.696   283.292  0.0000    0.0000   505.696   283.292  ?       ?      19.460  6.3411 ?              ?        
1 1 1 21 6  7  o 17.184  6.1797 400.076   270.795  0.0000    0.0000   400.076   270.795  ?       ?      17.184  6.1797 ?              ?        
1 1 1 21 6  8  o 14.740  5.8017 281.299   251.061  0.0000    0.0000   281.299   251.061  ?       ?      14.740  5.8017 ?              ?        
1 1 1 21 6  9  o 12.002  5.0693 202.067   209.003  0.0000    0.0000   202.067   209.003  ?       ?      12.002  5.0693 ?              ?        
1 1 1 21 6  10 o 14.551  4.2559 390.142   201.836  282.266   268.907  529.331   305.452  13.120  5.6516 15.981  6.3646 -2.860396      8.511711 
1 1 1 21 6  11 o 12.418  3.9518 368.921   203.732  300.895   268.684  460.941   312.497  11.835  5.3426 13.002  5.8245 -1.167267      7.903645 
1 1 1 21 6  12 o 9.1402  2.9748 96.587    121.050  103.449   212.768  93.303    147.195  9.3636  4.4083 8.9169  3.9957 0.4467392      5.949675 
1 1 1 21 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 7  5  o 13.709  5.0256 199.496   180.286  0.0000    0.0000   199.496   180.286  ?       ?      13.709  5.0256 ?              ?        
1 1 1 21 7  6  o 22.134  7.4728 779.430   392.611  0.0000    0.0000   779.430   392.611  ?       ?      22.134  7.4728 ?              ?        
1 1 1 21 7  7  o 19.580  6.6663 565.843   312.463  0.0000    0.0000   565.843   312.463  ?       ?      19.580  6.6663 ?              ?        
1 1 1 21 7  8  o 11.275  4.9294 101.399   210.923  0.0000    0.0000   101.399   210.923  ?       ?      11.275  4.9294 ?              ?        
1 1 1 21 7  9  o 16.183  6.9900 761.523   413.628  0.0000    0.0000   761.523   413.628  ?       ?      16.183  6.9900 ?              ?        
1 1 1 21 7  10 o 9.6414  4.5231 1.8458    220.642  0.0000    0.0000   1.8458    220.642  ?       ?      9.6414  4.5231 ?              ?        
1 1 1 21 7  11 o 11.090  3.5683 272.157   176.785  356.118   243.979  179.345   256.517  11.961  5.2634 10.218  4.8195 1.743068       7.136654 
1 1 1 21 7  12 o 10.091  3.2751 229.022   139.458  439.246   247.404  131.116   168.838  11.329  5.1192 8.8541  4.0863 2.474570       6.550145 
1 1 1 21 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 8  6  o 13.363  5.0578 195.877   185.456  0.0000    0.0000   195.877   185.456  ?       ?      13.363  5.0578 ?              ?        
1 1 1 21 8  7  o 15.433  5.8197 293.869   244.955  0.0000    0.0000   293.869   244.955  ?       ?      15.433  5.8197 ?              ?        
1 1 1 21 8  8  o 18.967  6.9406 640.086   343.640  0.0000    0.0000   640.086   343.640  ?       ?      18.967  6.9406 ?              ?        
1 1 1 21 8  9  o 12.664  5.4778 218.985   254.769  0.0000    0.0000   218.985   254.769  ?       ?      12.664  5.4778 ?              ?        
1 1 1 21 8  10 o 13.911  5.8834 404.957   282.095  0.0000    0.0000   404.957   282.095  ?       ?      13.911  5.8834 ?              ?        
1 1 1 21 8  11 o 7.3226  3.6061 -125.1650 186.980  0.0000    0.0000   -125.1650 186.980  ?       ?      7.3226  3.6061 ?              ?        
1 1 1 21 8  12 o 8.5614  2.9024 140.067   131.079  231.290   275.650  113.411   149.004  8.8786  4.3736 8.2442  3.8168 0.6343775      5.804813 
1 1 1 21 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 9  6  o 13.226  5.0980 192.286   190.634  0.0000    0.0000   192.286   190.634  ?       ?      13.226  5.0980 ?              ?        
1 1 1 21 9  7  o 7.3709  3.6608 -372.2671 207.947  0.0000    0.0000   -372.2671 207.947  ?       ?      7.3709  3.6608 ?              ?        
1 1 1 21 9  8  o 9.6679  4.3586 51.567    178.150  0.0000    0.0000   51.567    178.150  ?       ?      9.6679  4.3586 ?              ?        
1 1 1 21 9  9  o 10.612  4.6521 95.859    189.014  0.0000    0.0000   95.859    189.014  ?       ?      10.612  4.6521 ?              ?        
1 1 1 21 9  10 o 9.0619  4.2540 19.651    195.678  0.0000    0.0000   19.651    195.678  ?       ?      9.0619  4.2540 ?              ?        
1 1 1 21 9  11 o 9.2733  4.3834 62.071    214.278  0.0000    0.0000   62.071    214.278  ?       ?      9.2733  4.3834 ?              ?        
1 1 1 21 9  12 o 10.637  4.5848 275.885   177.204  0.0000    0.0000   275.885   177.204  ?       ?      10.637  4.5848 ?              ?        
1 1 1 21 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 10 7  o 14.478  5.7930 288.773   254.213  0.0000    0.0000   288.773   254.213  ?       ?      14.478  5.7930 ?              ?        
1 1 1 21 10 8  o 11.012  4.9335 113.369   224.248  0.0000    0.0000   113.369   224.248  ?       ?      11.012  4.9335 ?              ?        
1 1 1 21 10 9  o 14.005  5.8779 395.037   278.097  0.0000    0.0000   395.037   278.097  ?       ?      14.005  5.8779 ?              ?        
1 1 1 21 10 10 o 10.314  4.7414 179.343   224.175  0.0000    0.0000   179.343   224.175  ?       ?      10.314  4.7414 ?              ?        
1 1 1 21 10 11 o 10.752  5.0484 325.807   275.784  0.0000    0.0000   325.807   275.784  ?       ?      10.752  5.0484 ?              ?        
1 1 1 21 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 11 8  o 10.780  4.7112 99.834    192.529  0.0000    0.0000   99.834    192.529  ?       ?      10.780  4.7112 ?              ?        
1 1 1 21 11 9  o 8.9538  4.1989 -3.7987   189.806  0.0000    0.0000   -3.7987   189.806  ?       ?      8.9538  4.1989 ?              ?        
1 1 1 21 11 10 o 9.9294  4.6505 178.516   231.572  0.0000    0.0000   178.516   231.572  ?       ?      9.9294  4.6505 ?              ?        
1 1 1 21 11 11 o 8.0695  3.9682 76.127    223.687  0.0000    0.0000   76.127    223.687  ?       ?      8.0695  3.9682 ?              ?        
1 1 1 21 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 12 8  o 9.0881  4.2255 -6.1237   185.613  0.0000    0.0000   -6.1237   185.613  ?       ?      9.0881  4.2255 ?              ?        
1 1 1 21 12 9  o 7.8149  3.8014 -99.0704  189.331  0.0000    0.0000   -99.0704  189.331  ?       ?      7.8149  3.8014 ?              ?        
1 1 1 21 12 10 o 7.8086  3.8332 -113.8976 205.872  0.0000    0.0000   -113.8976 205.872  ?       ?      7.8086  3.8332 ?              ?        
1 1 1 21 12 11 o 9.7458  4.6586 256.138   255.943  0.0000    0.0000   256.138   255.943  ?       ?      9.7458  4.6586 ?              ?        
1 1 1 21 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 13 9  o 9.4516  4.4624 123.255   220.877  0.0000    0.0000   123.255   220.877  ?       ?      9.4516  4.4624 ?              ?        
1 1 1 21 13 10 o 8.2275  4.0969 80.236    267.373  0.0000    0.0000   80.236    267.373  ?       ?      8.2275  4.0969 ?              ?        
1 1 1 21 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 14 9  o 7.4674  3.6976 -161.8376 206.155  0.0000    0.0000   -161.8376 206.155  ?       ?      7.4674  3.6976 ?              ?        
1 1 1 21 14 10 f 8.8648  4.3679 111.892   275.515  0.0000    0.0000   111.892   275.515  ?       ?      8.8648  4.3679 ?              ?        
1 1 1 21 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 15 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 16 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 17 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 18 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 19 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 20 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 20 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 20 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 21 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 21 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 21 21 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 1  1  o 26.559  7.8890 987.881   449.584  0.0000    0.0000   987.881   449.584  ?       ?      26.559  7.8890 ?              ?        
1 1 1 22 1  2  o 13.605  4.8785 194.629   168.643  0.0000    0.0000   194.629   168.643  ?       ?      13.605  4.8785 ?              ?        
1 1 1 22 1  3  o 29.127  9.8693 1570.86   684.842  0.0000    0.0000   1570.86   684.842  ?       ?      29.127  9.8693 ?              ?        
1 1 1 22 1  4  o 22.138  6.8766 645.479   336.497  0.0000    0.0000   645.479   336.497  ?       ?      22.138  6.8766 ?              ?        
1 1 1 22 1  5  o 11.337  3.1791 103.403   107.310  123.230   140.932  76.048    165.540  11.559  4.4009 11.115  4.5891 0.4442892      6.358277 
1 1 1 22 1  6  f 18.034  4.1576 416.558   180.832  248.184   245.194  617.359   267.765  14.675  5.7466 21.392  6.0100 -6.716653      8.315258 
1 1 1 22 1  7  o 20.155  4.7487 601.597   233.311  420.028   326.703  790.572   333.300  17.179  6.6592 23.131  6.7718 -5.951973      9.497448 
1 1 1 22 1  8  o 15.348  4.0983 361.627   176.592  265.428   255.404  449.741   244.436  13.807  5.7005 16.889  5.8898 -3.082014      8.196675 
1 1 1 22 1  9  o 9.6449  3.1188 33.714    135.059  -34.0193  184.053  112.737   198.802  8.7613  4.1169 10.529  4.6860 -1.767219      6.237646 
1 1 1 22 1  10 o 14.005  4.0518 355.028   193.656  566.979   274.919  146.278   272.834  16.612  6.1849 11.397  5.2360 5.215729       8.103584 
1 1 1 22 1  11 o 12.559  3.9400 422.774   197.297  441.524   278.918  403.996   279.124  12.755  5.6198 12.363  5.5239 0.3919983      7.880049 
1 1 1 22 1  12 o 10.346  3.4483 288.248   185.948  262.515   278.672  308.901   249.655  10.086  4.8319 10.606  4.9209 -0.5199451     6.896566 
1 1 1 22 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 2  2  o 13.742  4.9205 201.409   171.503  0.0000    0.0000   201.409   171.503  ?       ?      13.742  4.9205 ?              ?        
1 1 1 22 2  3  o 13.035  4.9082 173.382   174.095  0.0000    0.0000   173.382   174.095  ?       ?      13.035  4.9082 ?              ?        
1 1 1 22 2  4  f 14.267  5.1997 215.994   192.590  0.0000    0.0000   215.994   192.590  ?       ?      14.267  5.1997 ?              ?        
1 1 1 22 2  5  o 15.167  5.2641 264.773   195.149  0.0000    0.0000   264.773   195.149  ?       ?      15.167  5.2641 ?              ?        
1 1 1 22 2  6  o 6.6422  2.2808 -197.7297 95.449   -137.4288 122.155  -292.2660 152.950  6.7408  3.2212 6.5436  3.2299 0.1971712      4.561607 
1 1 1 22 2  7  o 10.706  2.9013 59.218    108.592  218.832   136.152  -219.8343 180.024  13.570  4.3944 7.8432  3.7893 5.726311       5.802553 
1 1 1 22 2  8  o 17.430  4.5214 522.143   216.514  725.480   312.707  334.899   300.078  20.281  6.6648 14.579  6.1116 5.701345       9.042768 
1 1 1 22 2  9  o 14.432  4.2467 432.603   210.903  578.964   294.137  277.733   302.565  16.268  6.3151 12.597  5.6795 3.671609       8.493390 
1 1 1 22 2  10 o 12.290  3.6472 230.471   152.714  150.201   208.013  324.318   224.918  11.076  4.8674 13.505  5.4328 -2.428645      7.294306 
1 1 1 22 2  11 o 9.6554  3.2205 105.100   162.020  104.809   229.308  105.390   228.954  9.6537  4.5544 9.6570  4.5544 -0.3269196E-02 6.440940 
1 1 1 22 2  12 o 9.2134  3.1574 152.530   180.314  169.746   254.134  135.076   255.880  9.3203  4.5028 9.1064  4.4273 0.2139530      6.314745 
1 1 1 22 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 3  2  o 13.545  4.7834 201.148   161.543  0.0000    0.0000   201.148   161.543  ?       ?      13.545  4.7834 ?              ?        
1 1 1 22 3  3  o 16.164  5.5136 310.158   213.753  0.0000    0.0000   310.158   213.753  ?       ?      16.164  5.5136 ?              ?        
1 1 1 22 3  4  o 30.350  9.9463 1599.08   696.625  0.0000    0.0000   1599.08   696.625  ?       ?      30.350  9.9463 ?              ?        
1 1 1 22 3  5  o 9.2878  4.1136 -18.1881  151.373  0.0000    0.0000   -18.1881  151.373  ?       ?      9.2878  4.1136 ?              ?        
1 1 1 22 3  6  o 12.145  4.9364 129.373   187.798  0.0000    0.0000   129.373   187.798  ?       ?      12.145  4.9364 ?              ?        
1 1 1 22 3  7  o 16.381  4.1250 354.062   172.292  403.190   232.767  294.529   256.235  17.392  5.7518 15.370  5.9143 2.021809       8.249993 
1 1 1 22 3  8  o 13.485  3.7784 242.076   154.031  287.421   200.956  177.490   239.829  14.322  5.2966 12.648  5.3899 1.674405       7.556808 
1 1 1 22 3  9  o 8.6025  2.8613 -79.3571  125.971  65.984    191.442  -190.3401 167.290  10.010  4.5150 7.1953  3.5160 2.814460       5.722592 
1 1 1 22 3  10 o 11.912  3.7339 189.079   180.230  56.378    247.969  337.688   262.412  10.415  4.8564 13.409  5.6729 -2.993394      7.467733 
1 1 1 22 3  11 o 9.1869  3.0867 79.142    153.711  75.320    230.222  82.216    206.473  9.2202  4.4105 9.1536  4.3195 0.6659508E-01  6.173335 
1 1 1 22 3  12 o 8.7060  2.9950 107.098   160.429  -20.6520  208.725  291.518   250.783  7.6944  3.7933 9.7175  4.6358 -2.023057      5.989936 
1 1 1 22 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 4  3  o 13.403  5.0119 179.947   180.914  0.0000    0.0000   179.947   180.914  ?       ?      13.403  5.0119 ?              ?        
1 1 1 22 4  4  o 24.703  7.7281 885.348   424.143  0.0000    0.0000   885.348   424.143  ?       ?      24.703  7.7281 ?              ?        
1 1 1 22 4  5  f 21.589  6.7721 631.331   325.446  0.0000    0.0000   631.331   325.446  ?       ?      21.589  6.7721 ?              ?        
1 1 1 22 4  6  o 12.479  5.0529 139.873   195.923  0.0000    0.0000   139.873   195.923  ?       ?      12.479  5.0529 ?              ?        
1 1 1 22 4  7  o 22.945  7.8371 855.523   431.871  0.0000    0.0000   855.523   431.871  ?       ?      22.945  7.8371 ?              ?        
1 1 1 22 4  8  o 13.646  3.6216 224.335   150.545  376.731   199.066  20.730    230.095  16.420  5.3131 10.872  4.9228 5.547609       7.243131 
1 1 1 22 4  9  o 13.292  3.9203 280.941   171.810  263.325   224.997  305.580   266.092  13.061  5.3667 13.522  5.7162 -0.4605360     7.840665 
1 1 1 22 4  10 o 13.471  4.0684 342.458   191.901  282.247   252.641  424.577   295.043  12.753  5.4857 14.188  6.0097 -1.435248      8.136883 
1 1 1 22 4  11 o 9.0185  3.0212 60.548    156.677  199.221   196.142  -183.9307 260.433  10.133  4.5705 7.9038  3.9524 2.229468       6.042409 
1 1 1 22 4  12 o 8.7485  2.9988 155.577   171.736  -94.9562  262.619  342.756   226.998  7.5064  3.7826 9.9905  4.6544 -2.484108      5.997595 
1 1 1 22 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 5  4  o 20.940  6.7074 586.294   317.868  0.0000    0.0000   586.294   317.868  ?       ?      20.940  6.7074 ?              ?        
1 1 1 22 5  5  o 25.406  8.5409 1109.32   512.844  0.0000    0.0000   1109.32   512.844  ?       ?      25.406  8.5409 ?              ?        
1 1 1 22 5  6  o 25.390  8.9246 1221.17   561.742  0.0000    0.0000   1221.17   561.742  ?       ?      25.390  8.9246 ?              ?        
1 1 1 22 5  7  o 13.537  5.2156 207.443   199.463  0.0000    0.0000   207.443   199.463  ?       ?      13.537  5.2156 ?              ?        
1 1 1 22 5  8  o 8.1931  3.9454 -176.9975 191.361  0.0000    0.0000   -176.9975 191.361  ?       ?      8.1931  3.9454 ?              ?        
1 1 1 22 5  9  o 10.814  3.2830 85.929    132.850  -29.9338  185.077  209.081   190.810  9.1670  4.2474 12.460  5.0070 -3.293401      6.565903 
1 1 1 22 5  10 o 8.6830  2.9218 -67.4168  141.474  -170.3116 215.109  11.017    187.808  8.1876  3.9979 9.1784  4.2618 -0.9908028     5.843519 
1 1 1 22 5  11 o 7.8465  2.7714 -223.0470 171.067  -458.3425 232.841  52.920    252.163  6.6158  3.3592 9.0772  4.4089 -2.461439      5.542800 
1 1 1 22 5  12 f 8.1485  4.0749 -263.9267 186.580  -517.8888 252.487  41.591    276.931  ?       ?      8.1485  4.0749 ?              ?        
1 1 1 22 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 6  4  o 16.208  5.5171 313.532   214.020  0.0000    0.0000   313.532   214.020  ?       ?      16.208  5.5171 ?              ?        
1 1 1 22 6  5  o 22.810  7.6992 847.536   416.765  0.0000    0.0000   847.536   416.765  ?       ?      22.810  7.6992 ?              ?        
1 1 1 22 6  6  o 21.926  7.5985 796.633   406.523  0.0000    0.0000   796.633   406.523  ?       ?      21.926  7.5985 ?              ?        
1 1 1 22 6  7  o 13.861  5.5681 259.946   235.878  0.0000    0.0000   259.946   235.878  ?       ?      13.861  5.5681 ?              ?        
1 1 1 22 6  8  o 15.484  6.4706 536.514   334.814  0.0000    0.0000   536.514   334.814  ?       ?      15.484  6.4706 ?              ?        
1 1 1 22 6  9  o 8.8225  4.2156 -115.2627 209.131  0.0000    0.0000   -115.2627 209.131  ?       ?      8.8225  4.2156 ?              ?        
1 1 1 22 6  10 f 8.7249  2.9684 -64.8622  144.953  -135.1299 183.714  51.031    235.935  7.6750  3.7360 9.7747  4.6140 -2.099645      5.936888 
1 1 1 22 6  11 o 11.227  5.1446 280.751   261.055  0.0000    0.0000   280.751   261.055  ?       ?      11.227  5.1446 ?              ?        
1 1 1 22 6  12 o 9.1022  3.1675 162.869   200.508  48.585    272.650  297.473   295.898  8.4896  4.2122 9.7149  4.7316 -1.225286      6.334915 
1 1 1 22 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 7  5  o 15.055  5.4249 276.747   208.781  0.0000    0.0000   276.747   208.781  ?       ?      15.055  5.4249 ?              ?        
1 1 1 22 7  6  o 12.400  5.0745 130.773   200.168  0.0000    0.0000   130.773   200.168  ?       ?      12.400  5.0745 ?              ?        
1 1 1 22 7  7  o 7.7606  3.7843 -243.3436 190.881  0.0000    0.0000   -243.3436 190.881  ?       ?      7.7606  3.7843 ?              ?        
1 1 1 22 7  8  o 9.1698  4.3136 -26.4553  202.996  0.0000    0.0000   -26.4553  202.996  ?       ?      9.1698  4.3136 ?              ?        
1 1 1 22 7  9  o 9.7695  4.5807 5.3438    225.749  0.0000    0.0000   5.3438    225.749  ?       ?      9.7695  4.5807 ?              ?        
1 1 1 22 7  10 o 7.9856  3.9379 -171.7692 225.460  0.0000    0.0000   -171.7692 225.460  ?       ?      7.9856  3.9379 ?              ?        
1 1 1 22 7  11 o 9.5747  3.1861 90.186    158.437  -53.4751  216.913  254.485   231.971  8.2909  4.0409 10.859  4.9271 -2.567621      6.372222 
1 1 1 22 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 8  6  o 12.270  5.1021 141.186   206.703  0.0000    0.0000   141.186   206.703  ?       ?      12.270  5.1021 ?              ?        
1 1 1 22 8  7  o 9.9547  4.3719 48.405    167.591  0.0000    0.0000   48.405    167.591  ?       ?      9.9547  4.3719 ?              ?        
1 1 1 22 8  8  o 10.507  4.6170 85.531    187.127  0.0000    0.0000   85.531    187.127  ?       ?      10.507  4.6170 ?              ?        
1 1 1 22 8  9  o 7.5179  3.7877 -507.5055 262.636  0.0000    0.0000   -507.5055 262.636  ?       ?      7.5179  3.7877 ?              ?        
1 1 1 22 8  10 o 6.6794  3.3598 -311.7608 202.123  0.0000    0.0000   -311.7608 202.123  ?       ?      6.6794  3.3598 ?              ?        
1 1 1 22 8  11 o 10.365  4.9363 377.778   281.898  0.0000    0.0000   377.778   281.898  ?       ?      10.365  4.9363 ?              ?        
1 1 1 22 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 9  6  o 10.956  4.6322 100.178   174.769  0.0000    0.0000   100.178   174.769  ?       ?      10.956  4.6322 ?              ?        
1 1 1 22 9  7  o 12.217  5.3175 239.596   243.067  0.0000    0.0000   239.596   243.067  ?       ?      12.217  5.3175 ?              ?        
1 1 1 22 9  8  o 11.375  4.9153 142.193   204.707  0.0000    0.0000   142.193   204.707  ?       ?      11.375  4.9153 ?              ?        
1 1 1 22 9  9  o 8.4420  3.9943 -32.9272  178.687  0.0000    0.0000   -32.9272  178.687  ?       ?      8.4420  3.9943 ?              ?        
1 1 1 22 9  10 o 6.7630  3.4039 -329.3045 209.208  0.0000    0.0000   -329.3045 209.208  ?       ?      6.7630  3.4039 ?              ?        
1 1 1 22 9  11 o 7.8047  3.8521 25.917    217.432  0.0000    0.0000   25.917    217.432  ?       ?      7.8047  3.8521 ?              ?        
1 1 1 22 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 10 7  o 15.727  6.4295 499.485   320.905  0.0000    0.0000   499.485   320.905  ?       ?      15.727  6.4295 ?              ?        
1 1 1 22 10 8  o 13.731  5.7189 361.146   260.292  0.0000    0.0000   361.146   260.292  ?       ?      13.731  5.7189 ?              ?        
1 1 1 22 10 9  o 9.2727  4.3703 53.220    210.195  0.0000    0.0000   53.220    210.195  ?       ?      9.2727  4.3703 ?              ?        
1 1 1 22 10 10 o 6.6901  3.3910 -455.6114 230.331  0.0000    0.0000   -455.6114 230.331  ?       ?      6.6901  3.3910 ?              ?        
1 1 1 22 10 11 o 6.7543  3.4111 -285.2427 220.300  0.0000    0.0000   -285.2427 220.300  ?       ?      6.7543  3.4111 ?              ?        
1 1 1 22 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 11 7  o 9.6447  4.3861 26.944    185.155  0.0000    0.0000   26.944    185.155  ?       ?      9.6447  4.3861 ?              ?        
1 1 1 22 11 8  o 8.9514  4.1920 -1.4540   188.085  0.0000    0.0000   -1.4540   188.085  ?       ?      8.9514  4.1920 ?              ?        
1 1 1 22 11 9  o 7.2009  3.5727 -169.3100 196.108  0.0000    0.0000   -169.3100 196.108  ?       ?      7.2009  3.5727 ?              ?        
1 1 1 22 11 10 o 8.5239  4.1512 110.293   227.644  0.0000    0.0000   110.293   227.644  ?       ?      8.5239  4.1512 ?              ?        
1 1 1 22 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 12 8  o 7.8420  3.8150 -98.4192  190.810  0.0000    0.0000   -98.4192  190.810  ?       ?      7.8420  3.8150 ?              ?        
1 1 1 22 12 9  o 9.9910  4.6478 140.050   225.052  0.0000    0.0000   140.050   225.052  ?       ?      9.9910  4.6478 ?              ?        
1 1 1 22 12 10 o ?       ?      -400.5983 286.357  0.0000    0.0000   -400.5983 286.357  ?       ?      ?       ?      ?              ?        
1 1 1 22 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 13 9  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 14 9  o 9.8399  4.8201 339.414   320.182  0.0000    0.0000   339.414   320.182  ?       ?      9.8399  4.8201 ?              ?        
1 1 1 22 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 15 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 16 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 17 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 18 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 18 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 19 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 19 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 19 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 20 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 22 20 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 1  1  o 5.5731  2.7211 -173.7871 99.588   0.0000    0.0000   -173.7871 99.588   ?       ?      5.5731  2.7211 ?              ?        
1 1 1 23 1  2  o 16.356  5.4518 319.763   208.969  0.0000    0.0000   319.763   208.969  ?       ?      16.356  5.4518 ?              ?        
1 1 1 23 1  3  o 13.808  5.0629 203.113   182.983  0.0000    0.0000   203.113   182.983  ?       ?      13.808  5.0629 ?              ?        
1 1 1 23 1  4  o 8.3190  3.7985 -59.0947  140.638  0.0000    0.0000   -59.0947  140.638  ?       ?      8.3190  3.7985 ?              ?        
1 1 1 23 1  5  o 18.782  6.1759 481.680   268.492  0.0000    0.0000   481.680   268.492  ?       ?      18.782  6.1759 ?              ?        
1 1 1 23 1  6  o 19.606  6.4963 544.438   296.865  0.0000    0.0000   544.438   296.865  ?       ?      19.606  6.4963 ?              ?        
1 1 1 23 1  7  o 16.215  3.9769 391.360   177.766  155.242   257.848  605.251   245.411  12.440  5.4440 19.990  5.7988 -7.550631      7.953849 
1 1 1 23 1  8  o 12.486  3.7363 257.780   161.781  278.733   211.590  228.292   251.015  12.878  5.2377 12.094  5.3297 0.7843256      7.472548 
1 1 1 23 1  9  o 13.153  3.8947 291.159   172.876  378.630   253.689  215.323   236.214  14.211  5.7512 12.096  5.2533 2.115427       7.789382 
1 1 1 23 1  10 o 12.448  3.9348 372.986   200.559  383.143   282.897  362.721   284.377  12.557  5.5892 12.340  5.5400 0.2169657      7.869610 
1 1 1 23 1  11 f 9.7259  3.2284 109.368   156.176  37.878    203.948  210.725   242.840  8.9107  4.2309 10.541  4.8774 -1.630336      6.456738 
1 1 1 23 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 2  2  o 14.610  5.1004 242.143   183.324  0.0000    0.0000   242.143   183.324  ?       ?      14.610  5.1004 ?              ?        
1 1 1 23 2  3  o 22.863  7.1606 722.648   364.022  0.0000    0.0000   722.648   364.022  ?       ?      22.863  7.1606 ?              ?        
1 1 1 23 2  4  o 13.871  5.2329 215.793   198.104  0.0000    0.0000   215.793   198.104  ?       ?      13.871  5.2329 ?              ?        
1 1 1 23 2  5  o 17.818  6.2237 432.034   272.981  0.0000    0.0000   432.034   272.981  ?       ?      17.818  6.2237 ?              ?        
1 1 1 23 2  6  o 22.282  7.2834 755.794   373.631  0.0000    0.0000   755.794   373.631  ?       ?      22.282  7.2834 ?              ?        
1 1 1 23 2  7  o 12.642  5.0678 188.941   194.954  0.0000    0.0000   188.941   194.954  ?       ?      12.642  5.0678 ?              ?        
1 1 1 23 2  8  o 13.218  3.9489 309.528   181.376  217.903   250.988  409.675   262.403  12.031  5.3143 14.406  5.8424 -2.374450      7.897812 
1 1 1 23 2  9  o 10.949  3.4987 114.643   163.807  39.293    223.892  201.438   240.294  10.051  4.6622 11.846  5.2179 -1.795435      6.997332 
1 1 1 23 2  10 o 10.749  3.4849 163.924   178.396  341.384   246.405  -31.5651  258.619  12.337  5.3618 9.1607  4.4530 3.176278       6.969815 
1 1 1 23 2  11 o 10.860  3.4541 237.611   168.145  55.389    253.838  380.085   224.451  9.2671  4.4827 12.452  5.2562 -3.185351      6.908134 
1 1 1 23 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 3  2  f 14.324  5.1887 226.239   191.350  0.0000    0.0000   226.239   191.350  ?       ?      14.324  5.1887 ?              ?        
1 1 1 23 3  3  o 19.999  6.4187 523.148   290.979  0.0000    0.0000   523.148   290.979  ?       ?      19.999  6.4187 ?              ?        
1 1 1 23 3  4  o 6.9285  3.3760 -229.1057 151.108  0.0000    0.0000   -229.1057 151.108  ?       ?      6.9285  3.3760 ?              ?        
1 1 1 23 3  5  o 14.152  5.1903 236.338   192.321  0.0000    0.0000   236.338   192.321  ?       ?      14.152  5.1903 ?              ?        
1 1 1 23 3  6  o 24.396  8.4239 1047.60   499.415  0.0000    0.0000   1047.60   499.415  ?       ?      24.396  8.4239 ?              ?        
1 1 1 23 3  7  o 21.781  8.3836 1084.87   514.968  0.0000    0.0000   1084.87   514.968  ?       ?      21.781  8.3836 ?              ?        
1 1 1 23 3  8  o 10.430  3.2866 93.474    136.622  96.205    174.068  89.093    220.484  10.243  4.4781 10.617  4.8119 -0.3734283     6.573207 
1 1 1 23 3  9  o 13.610  4.1226 363.066   201.370  280.483   278.588  453.421   291.404  12.650  5.5928 14.571  6.0583 -1.920390      8.245100 
1 1 1 23 3  10 f 10.095  3.3735 135.462   179.991  168.176   245.947  97.737    264.115  10.339  4.8260 9.8505  4.7151 0.4883556      6.747068 
1 1 1 23 3  11 f 9.5519  3.2554 121.992   184.908  114.559   253.329  130.467   270.513  9.4821  4.5594 9.6218  4.6478 -0.1397219     6.510784 
1 1 1 23 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 4  3  o 7.4011  3.5156 -143.9705 141.118  0.0000    0.0000   -143.9705 141.118  ?       ?      7.4011  3.5156 ?              ?        
1 1 1 23 4  4  o 20.568  6.8767 625.220   332.444  0.0000    0.0000   625.220   332.444  ?       ?      20.568  6.8767 ?              ?        
1 1 1 23 4  5  o 18.731  6.5399 511.536   301.414  0.0000    0.0000   511.536   301.414  ?       ?      18.731  6.5399 ?              ?        
1 1 1 23 4  6  o 15.570  5.8988 323.570   252.402  0.0000    0.0000   323.570   252.402  ?       ?      15.570  5.8988 ?              ?        
1 1 1 23 4  7  o 19.486  7.4317 759.704   402.323  0.0000    0.0000   759.704   402.323  ?       ?      19.486  7.4317 ?              ?        
1 1 1 23 4  8  o 8.2671  3.9900 -155.3126 198.327  0.0000    0.0000   -155.3126 198.327  ?       ?      8.2671  3.9900 ?              ?        
1 1 1 23 4  9  o 15.471  4.3413 517.672   222.023  719.471   297.919  265.592   332.972  18.438  6.4976 12.504  5.7592 5.934538       8.682608 
1 1 1 23 4  10 o 11.123  3.4570 236.579   165.064  463.494   227.471  -15.8058  239.898  13.542  5.4580 8.7051  4.2443 4.836659       6.914021 
1 1 1 23 4  11 o 11.104  3.7796 531.058   245.404  440.820   325.735  649.505   373.194  10.756  5.1714 11.452  5.5134 -0.6960936     7.559114 
1 1 1 23 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 5  4  o 11.770  4.6170 129.804   158.495  0.0000    0.0000   129.804   158.495  ?       ?      11.770  4.6170 ?              ?        
1 1 1 23 5  5  f 21.041  7.1873 687.558   363.231  0.0000    0.0000   687.558   363.231  ?       ?      21.041  7.1873 ?              ?        
1 1 1 23 5  6  o 7.6036  3.5510 -74.8229  133.413  0.0000    0.0000   -74.8229  133.413  ?       ?      7.6036  3.5510 ?              ?        
1 1 1 23 5  7  o 13.242  5.3808 268.958   223.045  0.0000    0.0000   268.958   223.045  ?       ?      13.242  5.3808 ?              ?        
1 1 1 23 5  8  o 10.474  4.5902 80.935    183.889  0.0000    0.0000   80.935    183.889  ?       ?      10.474  4.5902 ?              ?        
1 1 1 23 5  9  o 8.8676  4.1491 -17.7586  183.566  0.0000    0.0000   -17.7586  183.566  ?       ?      8.8676  4.1491 ?              ?        
1 1 1 23 5  10 o 8.6461  4.2396 -7.0061   249.645  0.0000    0.0000   -7.0061   249.645  ?       ?      8.6461  4.2396 ?              ?        
1 1 1 23 5  11 o 8.7275  3.0265 156.205   178.193  244.748   265.763  83.888    240.180  9.1598  4.4663 8.2951  4.0855 0.8646708      6.052989 
1 1 1 23 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 6  4  o 8.2614  3.7407 -39.1054  132.875  0.0000    0.0000   -39.1054  132.875  ?       ?      8.2614  3.7407 ?              ?        
1 1 1 23 6  5  o 9.9484  4.4047 0.0154    173.419  0.0000    0.0000   0.0154    173.419  ?       ?      9.9484  4.4047 ?              ?        
1 1 1 23 6  6  o 8.1807  3.9210 -160.7725 184.004  0.0000    0.0000   -160.7725 184.004  ?       ?      8.1807  3.9210 ?              ?        
1 1 1 23 6  7  o 9.8140  4.5006 47.643    200.321  0.0000    0.0000   47.643    200.321  ?       ?      9.8140  4.5006 ?              ?        
1 1 1 23 6  8  f 15.429  6.3940 479.487   323.052  0.0000    0.0000   479.487   323.052  ?       ?      15.429  6.3940 ?              ?        
1 1 1 23 6  9  o 9.3088  4.4285 -3.8627   225.554  0.0000    0.0000   -3.8627   225.554  ?       ?      9.3088  4.4285 ?              ?        
1 1 1 23 6  10 o 11.748  5.5474 471.939   341.527  0.0000    0.0000   471.939   341.527  ?       ?      11.748  5.5474 ?              ?        
1 1 1 23 6  11 o 7.6908  3.8010 -158.2690 161.551  -377.8260 246.141  7.8852    214.124  ?       ?      7.6908  3.8010 ?              ?        
1 1 1 23 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 7  5  o 8.0055  3.8284 -155.9190 173.229  0.0000    0.0000   -155.9190 173.229  ?       ?      8.0055  3.8284 ?              ?        
1 1 1 23 7  6  o 7.8628  3.6899 -88.9595  147.030  0.0000    0.0000   -88.9595  147.030  ?       ?      7.8628  3.6899 ?              ?        
1 1 1 23 7  7  o 9.5552  4.4440 -4.2157   205.554  0.0000    0.0000   -4.2157   205.554  ?       ?      9.5552  4.4440 ?              ?        
1 1 1 23 7  8  o 12.003  5.3122 217.670   251.957  0.0000    0.0000   217.670   251.957  ?       ?      12.003  5.3122 ?              ?        
1 1 1 23 7  9  o 13.516  6.1789 606.407   373.577  0.0000    0.0000   606.407   373.577  ?       ?      13.516  6.1789 ?              ?        
1 1 1 23 7  10 o 12.540  5.6657 458.118   302.888  0.0000    0.0000   458.118   302.888  ?       ?      12.540  5.6657 ?              ?        
1 1 1 23 7  11 o 7.1024  3.6117 -350.8024 276.431  0.0000    0.0000   -350.8024 276.431  ?       ?      7.1024  3.6117 ?              ?        
1 1 1 23 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 8  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 8  6  o 10.993  4.7177 145.960   186.074  0.0000    0.0000   145.960   186.074  ?       ?      10.993  4.7177 ?              ?        
1 1 1 23 8  7  o 7.7166  3.6970 -133.3263 163.211  0.0000    0.0000   -133.3263 163.211  ?       ?      7.7166  3.6970 ?              ?        
1 1 1 23 8  8  o 10.562  4.8397 92.042    230.972  0.0000    0.0000   92.042    230.972  ?       ?      10.562  4.8397 ?              ?        
1 1 1 23 8  9  o 9.4662  4.5428 94.282    248.697  0.0000    0.0000   94.282    248.697  ?       ?      9.4662  4.5428 ?              ?        
1 1 1 23 8  10 o 7.6198  3.7474 -100.2727 199.634  0.0000    0.0000   -100.2727 199.634  ?       ?      7.6198  3.7474 ?              ?        
1 1 1 23 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 9  6  o 8.8424  4.1955 -71.2250  199.855  0.0000    0.0000   -71.2250  199.855  ?       ?      8.8424  4.1955 ?              ?        
1 1 1 23 9  7  o 8.1386  3.8560 -75.8195  167.653  0.0000    0.0000   -75.8195  167.653  ?       ?      8.1386  3.8560 ?              ?        
1 1 1 23 9  8  o 8.5742  4.0703 -31.9141  188.582  0.0000    0.0000   -31.9141  188.582  ?       ?      8.5742  4.0703 ?              ?        
1 1 1 23 9  9  o 9.2624  4.3593 105.849   207.792  0.0000    0.0000   105.849   207.792  ?       ?      9.2624  4.3593 ?              ?        
1 1 1 23 9  10 o 6.5762  3.3187 -223.3406 206.249  0.0000    0.0000   -223.3406 206.249  ?       ?      6.5762  3.3187 ?              ?        
1 1 1 23 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 10 7  o 14.308  5.9327 419.645   278.363  0.0000    0.0000   419.645   278.363  ?       ?      14.308  5.9327 ?              ?        
1 1 1 23 10 8  o 10.378  4.7479 174.284   221.130  0.0000    0.0000   174.284   221.130  ?       ?      10.378  4.7479 ?              ?        
1 1 1 23 10 9  o 9.1288  4.3458 44.769    217.993  0.0000    0.0000   44.769    217.993  ?       ?      9.1288  4.3458 ?              ?        
1 1 1 23 10 10 o 7.4403  3.6833 -71.2720  204.143  0.0000    0.0000   -71.2720  204.143  ?       ?      7.4403  3.6833 ?              ?        
1 1 1 23 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 11 7  o 7.8169  3.7911 -114.5027 184.583  0.0000    0.0000   -114.5027 184.583  ?       ?      7.8169  3.7911 ?              ?        
1 1 1 23 11 8  f 7.3274  3.6151 -134.7970 190.851  0.0000    0.0000   -134.7970 190.851  ?       ?      7.3274  3.6151 ?              ?        
1 1 1 23 11 9  o 7.1768  3.6322 -270.2148 257.858  0.0000    0.0000   -270.2148 257.858  ?       ?      7.1768  3.6322 ?              ?        
1 1 1 23 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 12 8  f 11.986  5.6052 445.365   334.286  0.0000    0.0000   445.365   334.286  ?       ?      11.986  5.6052 ?              ?        
1 1 1 23 12 9  o 10.198  5.0348 563.485   372.234  0.0000    0.0000   563.485   372.234  ?       ?      10.198  5.0348 ?              ?        
1 1 1 23 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 13 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 14 8  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 15 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 16 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 17 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 17 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 18 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 18 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 18 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 18 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 19 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 23 19 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 1  1  o 19.626  6.3948 545.097   288.111  0.0000    0.0000   545.097   288.111  ?       ?      19.626  6.3948 ?              ?        
1 1 1 24 1  2  o 23.742  7.8099 913.266   429.349  0.0000    0.0000   913.266   429.349  ?       ?      23.742  7.8099 ?              ?        
1 1 1 24 1  3  o 16.374  5.8912 349.198   246.124  0.0000    0.0000   349.198   246.124  ?       ?      16.374  5.8912 ?              ?        
1 1 1 24 1  4  o 23.017  7.8450 886.484   432.742  0.0000    0.0000   886.484   432.742  ?       ?      23.017  7.8450 ?              ?        
1 1 1 24 1  5  o 12.343  4.9959 161.379   191.461  0.0000    0.0000   161.379   191.461  ?       ?      12.343  4.9959 ?              ?        
1 1 1 24 1  6  f 12.371  3.5892 152.962   146.302  49.726    202.086  266.662   212.081  10.702  4.7458 14.039  5.3858 -3.336867      7.178448 
1 1 1 24 1  7  o 9.5497  3.1003 18.817    135.201  42.121    184.550  -8.1783   198.630  9.7112  4.4018 9.3883  4.3671 0.3228884      6.200633 
1 1 1 24 1  8  o 10.453  3.3090 101.632   140.561  112.008   177.794  84.338    229.541  10.388  4.5341 10.517  4.8209 -0.1280565     6.618065 
1 1 1 24 1  9  o 14.057  4.4985 685.239   273.414  547.456   381.863  830.179   391.655  13.006  6.0516 15.107  6.6576 -2.101891      8.996929 
1 1 1 24 1  10 o 10.014  3.1767 121.255   137.704  -22.0190  192.078  272.765   197.522  8.3831  4.0149 11.646  4.9241 -3.262371      6.353404 
1 1 1 24 1  11 o 7.9587  2.7211 -23.6806  143.022  -332.4804 225.971  182.693   184.731  6.6087  3.3507 9.3087  4.2884 -2.700072      5.442204 
1 1 1 24 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 2  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 2  2  o 19.248  6.3043 512.991   279.878  0.0000    0.0000   512.991   279.878  ?       ?      19.248  6.3043 ?              ?        
1 1 1 24 2  3  o 20.297  6.7749 609.748   322.663  0.0000    0.0000   609.748   322.663  ?       ?      20.297  6.7749 ?              ?        
1 1 1 24 2  4  o 14.456  5.4335 246.110   213.165  0.0000    0.0000   246.110   213.165  ?       ?      14.456  5.4335 ?              ?        
1 1 1 24 2  5  o 17.811  6.6299 543.003   315.886  0.0000    0.0000   543.003   315.886  ?       ?      17.811  6.6299 ?              ?        
1 1 1 24 2  6  o 15.622  5.8154 376.658   243.042  0.0000    0.0000   376.658   243.042  ?       ?      15.622  5.8154 ?              ?        
1 1 1 24 2  7  o 11.821  3.5613 156.836   147.380  58.045    190.739  303.203   232.168  10.066  4.5267 13.576  5.4993 -3.510469      7.122696 
1 1 1 24 2  8  f 9.9734  3.2461 42.884    149.230  -18.0314  203.931  113.106   218.957  9.2385  4.3387 10.708  4.8295 -1.469818      6.492222 
1 1 1 24 2  9  o 10.637  3.4298 158.659   162.646  294.693   240.369  43.774    220.896  11.884  5.2270 9.3893  4.4420 2.494441       6.859546 
1 1 1 24 2  10 o 10.902  3.5972 231.611   195.396  88.596    272.648  382.626   280.169  9.7606  4.7026 12.044  5.4447 -2.283636      7.194345 
1 1 1 24 2  11 o 8.6730  2.9964 89.316    172.200  16.813    246.246  158.703   240.896  8.2708  4.0854 9.0753  4.3843 -0.8044949     5.992736 
1 1 1 24 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 3  2  o 11.390  4.3863 124.138   141.028  0.0000    0.0000   124.138   141.028  ?       ?      11.390  4.3863 ?              ?        
1 1 1 24 3  3  o 9.9172  4.2984 29.308    157.503  0.0000    0.0000   29.308    157.503  ?       ?      9.9172  4.2984 ?              ?        
1 1 1 24 3  4  f 12.641  5.0438 151.774   192.145  0.0000    0.0000   151.774   192.145  ?       ?      12.641  5.0438 ?              ?        
1 1 1 24 3  5  o 9.3937  4.1196 34.992    148.344  0.0000    0.0000   34.992    148.344  ?       ?      9.3937  4.1196 ?              ?        
1 1 1 24 3  6  o 11.859  5.0967 163.989   217.739  0.0000    0.0000   163.989   217.739  ?       ?      11.859  5.0967 ?              ?        
1 1 1 24 3  7  o 14.723  6.0418 389.985   284.715  0.0000    0.0000   389.985   284.715  ?       ?      14.723  6.0418 ?              ?        
1 1 1 24 3  8  o 11.435  3.4920 176.489   145.805  173.048   201.212  180.293   211.577  11.370  4.8933 11.499  4.9830 -0.1289825     6.983900 
1 1 1 24 3  9  o 9.2291  3.1209 32.181    162.310  17.228    221.547  49.505    238.467  9.0449  4.3266 9.4134  4.4989 -0.3684969     6.241754 
1 1 1 24 3  10 f 8.5220  2.9241 -81.2731  153.887  170.615   230.558  -283.6429 206.657  10.097  4.6996 6.9468  3.4807 3.150463       5.848214 
1 1 1 24 3  11 o 8.8727  3.0829 77.419    188.854  -137.5841 262.283  308.900   272.148  7.7275  3.8787 10.018  4.7929 -2.290571      6.165767 
1 1 1 24 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 4  3  o 15.668  5.4795 313.739   211.636  0.0000    0.0000   313.739   211.636  ?       ?      15.668  5.4795 ?              ?        
1 1 1 24 4  4  o 8.8619  4.0571 -57.6977  161.848  0.0000    0.0000   -57.6977  161.848  ?       ?      8.8619  4.0571 ?              ?        
1 1 1 24 4  5  o 9.4507  4.2828 -7.0901   174.585  0.0000    0.0000   -7.0901   174.585  ?       ?      9.4507  4.2828 ?              ?        
1 1 1 24 4  6  o 7.8742  3.8063 -145.4886 182.233  0.0000    0.0000   -145.4886 182.233  ?       ?      7.8742  3.8063 ?              ?        
1 1 1 24 4  7  o 17.138  6.8842 625.034   360.569  0.0000    0.0000   625.034   360.569  ?       ?      17.138  6.8842 ?              ?        
1 1 1 24 4  8  o 10.304  4.7455 68.733    225.986  0.0000    0.0000   68.733    225.986  ?       ?      10.304  4.7455 ?              ?        
1 1 1 24 4  9  f 10.125  3.3540 170.695   167.363  135.193   215.333  224.863   265.985  9.7450  4.5377 10.504  4.9402 -0.7594423     6.707973 
1 1 1 24 4  10 o 7.5600  2.6639 -165.3081 149.116  -215.4839 186.053  -75.1896  249.343  6.8148  3.3973 8.3052  4.1040 -1.490412      5.327737 
1 1 1 24 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 5  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 5  4  o 12.112  4.8093 162.831   173.918  0.0000    0.0000   162.831   173.918  ?       ?      12.112  4.8093 ?              ?        
1 1 1 24 5  5  o 8.3639  3.9601 -121.9703 176.236  0.0000    0.0000   -121.9703 176.236  ?       ?      8.3639  3.9601 ?              ?        
1 1 1 24 5  6  o 7.7937  3.6656 -56.6598  146.464  0.0000    0.0000   -56.6598  146.464  ?       ?      7.7937  3.6656 ?              ?        
1 1 1 24 5  7  o 11.485  4.8969 149.757   198.139  0.0000    0.0000   149.757   198.139  ?       ?      11.485  4.8969 ?              ?        
1 1 1 24 5  8  o 8.2988  3.9332 -57.0624  174.690  0.0000    0.0000   -57.0624  174.690  ?       ?      8.2988  3.9332 ?              ?        
1 1 1 24 5  9  o 9.5886  4.5954 142.425   252.603  0.0000    0.0000   142.425   252.603  ?       ?      9.5886  4.5954 ?              ?        
1 1 1 24 5  10 o 9.2849  3.1726 190.093   178.502  196.518   229.323  180.214   284.335  9.3781  4.4625 9.1916  4.5107 0.1864395      6.345119 
1 1 1 24 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 6  4  o 7.2103  3.5455 -267.9108 178.497  0.0000    0.0000   -267.9108 178.497  ?       ?      7.2103  3.5455 ?              ?        
1 1 1 24 6  5  o 9.9165  4.4765 28.421    188.621  0.0000    0.0000   28.421    188.621  ?       ?      9.9165  4.4765 ?              ?        
1 1 1 24 6  6  o 12.119  5.2640 201.273   237.210  0.0000    0.0000   201.273   237.210  ?       ?      12.119  5.2640 ?              ?        
1 1 1 24 6  7  o 12.412  5.3932 244.398   249.188  0.0000    0.0000   244.398   249.188  ?       ?      12.412  5.3932 ?              ?        
1 1 1 24 6  8  o 11.430  5.2182 234.848   265.264  0.0000    0.0000   234.848   265.264  ?       ?      11.430  5.2182 ?              ?        
1 1 1 24 6  9  o 7.9888  3.9472 -122.4222 230.411  0.0000    0.0000   -122.4222 230.411  ?       ?      7.9888  3.9472 ?              ?        
1 1 1 24 6  10 o 7.2965  3.6851 -143.8457 257.360  0.0000    0.0000   -143.8457 257.360  ?       ?      7.2965  3.6851 ?              ?        
1 1 1 24 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 7  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 7  6  o 8.3429  4.0119 -150.7983 196.213  0.0000    0.0000   -150.7983 196.213  ?       ?      8.3429  4.0119 ?              ?        
1 1 1 24 7  7  o 8.1123  3.9626 -188.7467 211.892  0.0000    0.0000   -188.7467 211.892  ?       ?      8.1123  3.9626 ?              ?        
1 1 1 24 7  8  o 9.7521  4.6089 81.085    236.699  0.0000    0.0000   81.085    236.699  ?       ?      9.7521  4.6089 ?              ?        
1 1 1 24 7  9  o 10.720  5.0475 221.202   279.125  0.0000    0.0000   221.202   279.125  ?       ?      10.720  5.0475 ?              ?        
1 1 1 24 7  10 o 7.2628  3.6034 -82.8323  199.456  0.0000    0.0000   -82.8323  199.456  ?       ?      7.2628  3.6034 ?              ?        
1 1 1 24 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 8  5  o 12.302  5.1281 217.285   209.556  0.0000    0.0000   217.285   209.556  ?       ?      12.302  5.1281 ?              ?        
1 1 1 24 8  6  o 9.8526  4.4007 59.929    177.005  0.0000    0.0000   59.929    177.005  ?       ?      9.8526  4.4007 ?              ?        
1 1 1 24 8  7  o 12.179  5.4202 262.541   265.897  0.0000    0.0000   262.541   265.897  ?       ?      12.179  5.4202 ?              ?        
1 1 1 24 8  8  o 7.3538  3.6831 -244.9855 230.271  0.0000    0.0000   -244.9855 230.271  ?       ?      7.3538  3.6831 ?              ?        
1 1 1 24 8  9  o 8.7801  4.2914 12.700    249.609  0.0000    0.0000   12.700    249.609  ?       ?      8.7801  4.2914 ?              ?        
1 1 1 24 8  10 o 8.2700  4.0381 33.696    219.440  0.0000    0.0000   33.696    219.440  ?       ?      8.2700  4.0381 ?              ?        
1 1 1 24 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 9  6  o 7.8113  3.7515 -114.5410 170.317  0.0000    0.0000   -114.5410 170.317  ?       ?      7.8113  3.7515 ?              ?        
1 1 1 24 9  7  o 7.2422  3.5566 -171.6400 177.814  0.0000    0.0000   -171.6400 177.814  ?       ?      7.2422  3.5566 ?              ?        
1 1 1 24 9  8  o 8.2544  4.0712 -102.4485 241.395  0.0000    0.0000   -102.4485 241.395  ?       ?      8.2544  4.0712 ?              ?        
1 1 1 24 9  9  o ?       ?      -384.6181 256.878  0.0000    0.0000   -384.6181 256.878  ?       ?      ?       ?      ?              ?        
1 1 1 24 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 10 7  o 6.6409  3.3380 -307.3905 197.660  0.0000    0.0000   -307.3905 197.660  ?       ?      6.6409  3.3380 ?              ?        
1 1 1 24 10 8  o 10.252  4.8687 189.415   270.380  0.0000    0.0000   189.415   270.380  ?       ?      10.252  4.8687 ?              ?        
1 1 1 24 10 9  o 9.7941  4.8065 368.391   322.938  0.0000    0.0000   368.391   322.938  ?       ?      9.7941  4.8065 ?              ?        
1 1 1 24 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 11 7  o 12.486  5.6867 492.387   312.746  0.0000    0.0000   492.387   312.746  ?       ?      12.486  5.6867 ?              ?        
1 1 1 24 11 8  o 7.8982  3.9370 -16.4487  249.594  0.0000    0.0000   -16.4487  249.594  ?       ?      7.8982  3.9370 ?              ?        
1 1 1 24 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 12 8  o 7.9362  3.9615 -47.6319  256.469  0.0000    0.0000   -47.6319  256.469  ?       ?      7.9362  3.9615 ?              ?        
1 1 1 24 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 13 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 14 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 15 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 16 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 16 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 17 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 17 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 17 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 24 17 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 1  1  o 10.697  4.3435 86.822    145.215  0.0000    0.0000   86.822    145.215  ?       ?      10.697  4.3435 ?              ?        
1 1 1 25 1  2  o 12.659  4.9072 175.196   177.416  0.0000    0.0000   175.196   177.416  ?       ?      12.659  4.9072 ?              ?        
1 1 1 25 1  3  o 14.152  5.6077 293.084   236.014  0.0000    0.0000   293.084   236.014  ?       ?      14.152  5.6077 ?              ?        
1 1 1 25 1  4  o 10.267  4.5788 27.716    190.847  0.0000    0.0000   27.716    190.847  ?       ?      10.267  4.5788 ?              ?        
1 1 1 25 1  5  o 14.471  6.0794 455.953   297.968  0.0000    0.0000   455.953   297.968  ?       ?      14.471  6.0794 ?              ?        
1 1 1 25 1  6  o 11.408  3.4607 134.941   139.497  124.718   180.452  150.122   219.902  11.065  4.6941 11.752  5.0863 -0.6870222     6.921330 
1 1 1 25 1  7  o 16.780  5.0920 865.299   309.764  974.447   434.849  752.853   441.370  17.871  7.4131 15.690  6.9829 2.180853       10.18399 
1 1 1 25 1  8  f 8.7659  2.9443 -8.7723   139.015  94.641    207.474  -93.0235  187.268  9.6635  4.4844 7.8683  3.8166 1.795171       5.888631 
1 1 1 25 1  9  o 9.7296  3.1558 95.088    151.958  236.373   193.636  -131.4129 245.173  11.151  4.7995 8.3084  4.0988 2.842311       6.311586 
1 1 1 25 1  10 o 9.6113  3.1638 197.656   165.054  445.411   220.005  -121.3258 249.635  11.690  5.0736 7.5322  3.7812 4.158176       6.327605 
1 1 1 25 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 2  1  o 8.5835  3.6874 17.910    113.883  0.0000    0.0000   17.910    113.883  ?       ?      8.5835  3.6874 ?              ?        
1 1 1 25 2  2  o 7.9310  3.6416 -54.0417  131.722  0.0000    0.0000   -54.0417  131.722  ?       ?      7.9310  3.6416 ?              ?        
1 1 1 25 2  3  o 13.119  5.2272 229.443   206.125  0.0000    0.0000   229.443   206.125  ?       ?      13.119  5.2272 ?              ?        
1 1 1 25 2  4  o 8.9620  4.1706 -65.9006  181.452  0.0000    0.0000   -65.9006  181.452  ?       ?      8.9620  4.1706 ?              ?        
1 1 1 25 2  5  o 9.2870  4.2801 16.972    184.271  0.0000    0.0000   16.972    184.271  ?       ?      9.2870  4.2801 ?              ?        
1 1 1 25 2  6  o 10.771  4.7543 88.743    200.545  0.0000    0.0000   88.743    200.545  ?       ?      10.771  4.7543 ?              ?        
1 1 1 25 2  7  o 11.994  3.6822 213.848   161.697  181.106   210.401  261.085   252.722  11.490  4.9742 12.497  5.4308 -1.006872      7.364470 
1 1 1 25 2  8  o 9.5323  3.1328 37.469    155.737  259.866   213.276  -216.5732 227.945  11.374  4.9650 7.6910  3.8220 3.682781       6.265678 
1 1 1 25 2  9  o 9.4894  3.1698 84.460    157.294  108.810   233.529  64.240    212.807  9.7284  4.5917 9.2504  4.3713 0.4780684      6.339662 
1 1 1 25 2  10 o 9.1365  3.1643 192.648   194.528  142.227   269.801  247.237   280.732  8.8648  4.3591 9.4082  4.5881 -0.5433941     6.328653 
1 1 1 25 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 3  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 3  3  f 12.113  4.8922 163.194   183.152  0.0000    0.0000   163.194   183.152  ?       ?      12.113  4.8922 ?              ?        
1 1 1 25 3  4  o 11.841  5.0103 158.154   204.723  0.0000    0.0000   158.154   204.723  ?       ?      11.841  5.0103 ?              ?        
1 1 1 25 3  5  o 10.875  4.8069 128.307   205.669  0.0000    0.0000   128.307   205.669  ?       ?      10.875  4.8069 ?              ?        
1 1 1 25 3  6  o 14.367  5.9255 358.479   275.575  0.0000    0.0000   358.479   275.575  ?       ?      14.367  5.9255 ?              ?        
1 1 1 25 3  7  f 10.593  4.6440 127.667   188.383  0.0000    0.0000   127.667   188.383  ?       ?      10.593  4.6440 ?              ?        
1 1 1 25 3  8  o 11.484  3.7242 329.144   191.642  262.439   252.464  419.842   294.387  10.938  5.0294 12.030  5.4940 -1.092514      7.448449 
1 1 1 25 3  9  o 9.4862  4.5651 87.609    255.192  0.0000    0.0000   87.609    255.192  ?       ?      9.4862  4.5651 ?              ?        
1 1 1 25 3  10 o 9.2310  3.1853 181.113   194.570  271.449   263.973  73.650    287.911  9.7742  4.6879 8.6878  4.3136 1.086419       6.370516 
1 1 1 25 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 4  3  o 10.259  4.4286 59.217    165.846  0.0000    0.0000   59.217    165.846  ?       ?      10.259  4.4286 ?              ?        
1 1 1 25 4  4  f 6.2443  3.0935 -250.3904 144.930  0.0000    0.0000   -250.3904 144.930  ?       ?      6.2443  3.0935 ?              ?        
1 1 1 25 4  5  o 8.8709  4.1549 -45.7435  184.875  0.0000    0.0000   -45.7435  184.875  ?       ?      8.8709  4.1549 ?              ?        
1 1 1 25 4  6  o 9.2068  4.3169 -31.8792  200.516  0.0000    0.0000   -31.8792  200.516  ?       ?      9.2068  4.3169 ?              ?        
1 1 1 25 4  7  o 11.853  5.2938 237.754   256.087  0.0000    0.0000   237.754   256.087  ?       ?      11.853  5.2938 ?              ?        
1 1 1 25 4  8  o 10.495  4.9551 265.248   272.321  0.0000    0.0000   265.248   272.321  ?       ?      10.495  4.9551 ?              ?        
1 1 1 25 4  9  o 10.316  3.3843 221.612   169.085  90.519    233.834  365.275   244.787  9.1407  4.3915 11.491  5.1507 -2.349927      6.768644 
1 1 1 25 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 5  3  o 10.618  4.4841 98.930    163.474  0.0000    0.0000   98.930    163.474  ?       ?      10.618  4.4841 ?              ?        
1 1 1 25 5  4  o 11.393  4.9652 175.740   212.536  0.0000    0.0000   175.740   212.536  ?       ?      11.393  4.9652 ?              ?        
1 1 1 25 5  5  o 16.525  6.6166 552.693   331.899  0.0000    0.0000   552.693   331.899  ?       ?      16.525  6.6166 ?              ?        
1 1 1 25 5  6  o 14.424  6.0944 452.003   302.221  0.0000    0.0000   452.003   302.221  ?       ?      14.424  6.0944 ?              ?        
1 1 1 25 5  7  o 8.1772  3.9875 -127.7731 211.986  0.0000    0.0000   -127.7731 211.986  ?       ?      8.1772  3.9875 ?              ?        
1 1 1 25 5  8  o 9.4039  4.4091 126.991   209.125  0.0000    0.0000   126.991   209.125  ?       ?      9.4039  4.4091 ?              ?        
1 1 1 25 5  9  o 9.5242  4.6404 254.329   285.359  0.0000    0.0000   254.329   285.359  ?       ?      9.5242  4.6404 ?              ?        
1 1 1 25 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 6  4  o 11.294  4.7807 158.582   186.501  0.0000    0.0000   158.582   186.501  ?       ?      11.294  4.7807 ?              ?        
1 1 1 25 6  5  o 10.698  4.7888 76.954    210.803  0.0000    0.0000   76.954    210.803  ?       ?      10.698  4.7888 ?              ?        
1 1 1 25 6  6  o 9.9076  4.6090 28.948    221.308  0.0000    0.0000   28.948    221.308  ?       ?      9.9076  4.6090 ?              ?        
1 1 1 25 6  7  o 12.534  5.4870 368.604   262.133  0.0000    0.0000   368.604   262.133  ?       ?      12.534  5.4870 ?              ?        
1 1 1 25 6  8  o 7.1681  3.6303 -452.7664 260.518  0.0000    0.0000   -452.7664 260.518  ?       ?      7.1681  3.6303 ?              ?        
1 1 1 25 6  9  o 6.9928  3.5367 -197.8396 241.963  0.0000    0.0000   -197.8396 241.963  ?       ?      6.9928  3.5367 ?              ?        
1 1 1 25 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 7  5  o 9.4312  4.4033 -3.1322   204.921  0.0000    0.0000   -3.1322   204.921  ?       ?      9.4312  4.4033 ?              ?        
1 1 1 25 7  6  o 9.8795  4.5999 53.495    221.185  0.0000    0.0000   53.495    221.185  ?       ?      9.8795  4.5999 ?              ?        
1 1 1 25 7  7  o 7.6973  3.8198 -171.2456 224.638  0.0000    0.0000   -171.2456 224.638  ?       ?      7.6973  3.8198 ?              ?        
1 1 1 25 7  8  o 8.0445  3.9710 -138.5665 231.312  0.0000    0.0000   -138.5665 231.312  ?       ?      8.0445  3.9710 ?              ?        
1 1 1 25 7  9  o 9.4971  4.6648 303.880   306.256  0.0000    0.0000   303.880   306.256  ?       ?      9.4971  4.6648 ?              ?        
1 1 1 25 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 8  5  f 10.078  4.5129 81.209    187.425  0.0000    0.0000   81.209    187.425  ?       ?      10.078  4.5129 ?              ?        
1 1 1 25 8  6  o 7.3281  3.6684 -326.2907 227.137  0.0000    0.0000   -326.2907 227.137  ?       ?      7.3281  3.6684 ?              ?        
1 1 1 25 8  7  o 9.1971  4.4353 83.348    243.912  0.0000    0.0000   83.348    243.912  ?       ?      9.1971  4.4353 ?              ?        
1 1 1 25 8  8  o 8.9506  4.3643 94.234    253.768  0.0000    0.0000   94.234    253.768  ?       ?      8.9506  4.3643 ?              ?        
1 1 1 25 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 9  6  o 9.2208  4.4254 60.915    236.130  0.0000    0.0000   60.915    236.130  ?       ?      9.2208  4.4254 ?              ?        
1 1 1 25 9  7  o 10.246  4.8306 159.550   257.184  0.0000    0.0000   159.550   257.184  ?       ?      10.246  4.8306 ?              ?        
1 1 1 25 9  8  o 7.8155  3.9115 -0.1931   257.564  0.0000    0.0000   -0.1931   257.564  ?       ?      7.8155  3.9115 ?              ?        
1 1 1 25 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 10 7  o 7.3010  3.6747 -260.1797 243.793  0.0000    0.0000   -260.1797 243.793  ?       ?      7.3010  3.6747 ?              ?        
1 1 1 25 10 8  o 9.1977  4.5035 181.596   278.567  0.0000    0.0000   181.596   278.567  ?       ?      9.1977  4.5035 ?              ?        
1 1 1 25 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 11 7  o 8.9486  4.4210 249.220   288.792  0.0000    0.0000   249.220   288.792  ?       ?      8.9486  4.4210 ?              ?        
1 1 1 25 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 12 7  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 13 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 14 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 14 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 14 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 15 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 15 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 15 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 15 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 15 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 16 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 16 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 25 16 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 1  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 1  1  o 8.6580  3.8842 15.526    139.523  0.0000    0.0000   15.526    139.523  ?       ?      8.6580  3.8842 ?              ?        
1 1 1 26 1  2  o 8.0556  3.7509 -35.0384  147.110  0.0000    0.0000   -35.0384  147.110  ?       ?      8.0556  3.7509 ?              ?        
1 1 1 26 1  3  o 9.6990  4.4165 38.646    188.505  0.0000    0.0000   38.646    188.505  ?       ?      9.6990  4.4165 ?              ?        
1 1 1 26 1  4  o 10.029  4.5688 22.192    202.024  0.0000    0.0000   22.192    202.024  ?       ?      10.029  4.5688 ?              ?        
1 1 1 26 1  5  o 9.6812  4.4949 22.037    208.831  0.0000    0.0000   22.037    208.831  ?       ?      9.6812  4.4949 ?              ?        
1 1 1 26 1  6  o 9.6910  4.4843 58.272    205.307  0.0000    0.0000   58.272    205.307  ?       ?      9.6910  4.4843 ?              ?        
1 1 1 26 1  7  o 9.7847  4.6400 154.764   243.794  0.0000    0.0000   154.764   243.794  ?       ?      9.7847  4.6400 ?              ?        
1 1 1 26 1  8  o 10.906  3.6003 271.009   193.546  166.031   264.506  391.994   283.958  10.046  4.7836 11.766  5.3820 -1.720498      7.200607 
1 1 1 26 1  9  o 8.1022  2.7797 33.064    144.015  127.280   191.902  -88.4095  217.901  8.7282  4.1325 7.4762  3.7188 1.252079       5.559432 
1 1 1 26 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 2  1  o 10.576  4.5162 121.461   169.017  0.0000    0.0000   121.461   169.017  ?       ?      10.576  4.5162 ?              ?        
1 1 1 26 2  2  o 8.2437  3.8056 -15.8330  146.583  0.0000    0.0000   -15.8330  146.583  ?       ?      8.2437  3.8056 ?              ?        
1 1 1 26 2  3  o 8.7893  4.0577 -16.1911  166.677  0.0000    0.0000   -16.1911  166.677  ?       ?      8.7893  4.0577 ?              ?        
1 1 1 26 2  4  o 11.601  5.0667 139.045   222.348  0.0000    0.0000   139.045   222.348  ?       ?      11.601  5.0667 ?              ?        
1 1 1 26 2  5  o 9.3221  4.4058 -29.0295  216.327  0.0000    0.0000   -29.0295  216.327  ?       ?      9.3221  4.4058 ?              ?        
1 1 1 26 2  6  o 10.985  4.9521 179.427   229.911  0.0000    0.0000   179.427   229.911  ?       ?      10.985  4.9521 ?              ?        
1 1 1 26 2  7  o 10.706  5.0483 303.146   281.044  0.0000    0.0000   303.146   281.044  ?       ?      10.706  5.0483 ?              ?        
1 1 1 26 2  8  o 10.603  3.4085 116.371   176.154  -263.6700 242.466  541.193   256.353  7.4753  3.7490 13.731  5.6935 -6.255943      6.816955 
1 1 1 26 2  9  o 7.4942  2.6605 -159.3048 169.907  -275.6962 229.323  -17.6544  252.985  6.8684  3.4701 8.1201  4.0338 -1.251686      5.320964 
1 1 1 26 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 3  2  o 9.2360  4.1601 39.415    161.856  0.0000    0.0000   39.415    161.856  ?       ?      9.2360  4.1601 ?              ?        
1 1 1 26 3  3  o 9.4699  4.2430 33.424    165.908  0.0000    0.0000   33.424    165.908  ?       ?      9.4699  4.2430 ?              ?        
1 1 1 26 3  4  o 11.253  4.7410 143.154   182.044  0.0000    0.0000   143.154   182.044  ?       ?      11.253  4.7410 ?              ?        
1 1 1 26 3  5  o 10.966  4.8976 133.267   219.152  0.0000    0.0000   133.267   219.152  ?       ?      10.966  4.8976 ?              ?        
1 1 1 26 3  6  o 10.710  4.9083 166.260   237.684  0.0000    0.0000   166.260   237.684  ?       ?      10.710  4.9083 ?              ?        
1 1 1 26 3  7  o 9.3357  4.3424 125.274   196.335  0.0000    0.0000   125.274   196.335  ?       ?      9.3357  4.3424 ?              ?        
1 1 1 26 3  8  o 9.5905  4.6289 154.548   266.976  0.0000    0.0000   154.548   266.976  ?       ?      9.5905  4.6289 ?              ?        
1 1 1 26 3  9  o 9.4959  3.2593 219.904   196.606  339.721   270.860  86.479    285.828  10.230  4.8627 8.7617  4.3412 1.468440       6.518578 
1 1 1 26 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 4  3  o 11.043  4.5596 134.010   163.429  0.0000    0.0000   134.010   163.429  ?       ?      11.043  4.5596 ?              ?        
1 1 1 26 4  4  o 8.2082  3.8958 -83.0830  172.612  0.0000    0.0000   -83.0830  172.612  ?       ?      8.2082  3.8958 ?              ?        
1 1 1 26 4  5  o 8.9072  4.2125 -43.9881  198.332  0.0000    0.0000   -43.9881  198.332  ?       ?      8.9072  4.2125 ?              ?        
1 1 1 26 4  6  o 11.351  5.1701 246.938   258.527  0.0000    0.0000   246.938   258.527  ?       ?      11.351  5.1701 ?              ?        
1 1 1 26 4  7  o 6.9546  3.5199 -399.9713 242.349  0.0000    0.0000   -399.9713 242.349  ?       ?      6.9546  3.5199 ?              ?        
1 1 1 26 4  8  o 8.2555  4.0722 14.984    241.712  0.0000    0.0000   14.984    241.712  ?       ?      8.2555  4.0722 ?              ?        
1 1 1 26 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 5  3  o 12.460  5.0106 211.284   191.232  0.0000    0.0000   211.284   191.232  ?       ?      12.460  5.0106 ?              ?        
1 1 1 26 5  4  f 13.382  5.6785 338.643   264.188  0.0000    0.0000   338.643   264.188  ?       ?      13.382  5.6785 ?              ?        
1 1 1 26 5  5  o 8.0411  3.9251 -164.9770 206.836  0.0000    0.0000   -164.9770 206.836  ?       ?      8.0411  3.9251 ?              ?        
1 1 1 26 5  6  o 7.3699  3.6552 -206.3176 204.525  0.0000    0.0000   -206.3176 204.525  ?       ?      7.3699  3.6552 ?              ?        
1 1 1 26 5  7  o 8.8875  4.2984 -6.2270   233.197  0.0000    0.0000   -6.2270   233.197  ?       ?      8.8875  4.2984 ?              ?        
1 1 1 26 5  8  o 7.9089  3.8713 50.811    205.391  0.0000    0.0000   50.811    205.391  ?       ?      7.9089  3.8713 ?              ?        
1 1 1 26 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 6  4  o 11.123  4.9653 145.609   224.977  0.0000    0.0000   145.609   224.977  ?       ?      11.123  4.9653 ?              ?        
1 1 1 26 6  5  o 12.676  5.6282 377.574   285.076  0.0000    0.0000   377.574   285.076  ?       ?      12.676  5.6282 ?              ?        
1 1 1 26 6  6  o 10.825  4.9716 288.408   245.725  0.0000    0.0000   288.408   245.725  ?       ?      10.825  4.9716 ?              ?        
1 1 1 26 6  7  o 9.8659  4.5605 138.962   211.531  0.0000    0.0000   138.962   211.531  ?       ?      9.8659  4.5605 ?              ?        
1 1 1 26 6  8  o 7.2385  3.6479 -159.1084 244.576  0.0000    0.0000   -159.1084 244.576  ?       ?      7.2385  3.6479 ?              ?        
1 1 1 26 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 7  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 7  5  o 12.378  5.6064 408.177   298.740  0.0000    0.0000   408.177   298.740  ?       ?      12.378  5.6064 ?              ?        
1 1 1 26 7  6  o 9.5842  4.5684 127.312   242.510  0.0000    0.0000   127.312   242.510  ?       ?      9.5842  4.5684 ?              ?        
1 1 1 26 7  7  o 7.6782  3.8300 -152.3725 237.978  0.0000    0.0000   -152.3725 237.978  ?       ?      7.6782  3.8300 ?              ?        
1 1 1 26 7  8  o 9.4908  4.6281 238.240   285.558  0.0000    0.0000   238.240   285.558  ?       ?      9.4908  4.6281 ?              ?        
1 1 1 26 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 8  5  o 9.5817  4.4592 144.599   207.473  0.0000    0.0000   144.599   207.473  ?       ?      9.5817  4.4592 ?              ?        
1 1 1 26 8  6  o 10.629  4.9637 208.163   260.607  0.0000    0.0000   208.163   260.607  ?       ?      10.629  4.9637 ?              ?        
1 1 1 26 8  7  o 6.7456  3.4323 -313.5290 252.562  0.0000    0.0000   -313.5290 252.562  ?       ?      6.7456  3.4323 ?              ?        
1 1 1 26 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 9  6  o 7.3398  3.6845 -239.6935 236.944  0.0000    0.0000   -239.6935 236.944  ?       ?      7.3398  3.6845 ?              ?        
1 1 1 26 9  7  o 8.2010  4.0608 24.981    248.621  0.0000    0.0000   24.981    248.621  ?       ?      8.2010  4.0608 ?              ?        
1 1 1 26 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 10 6  o 6.7521  3.3846 -147.4886 196.414  0.0000    0.0000   -147.4886 196.414  ?       ?      6.7521  3.3846 ?              ?        
1 1 1 26 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 11 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 11 6  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 12 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 12 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 12 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 13 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 13 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 13 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 13 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 13 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 14 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 14 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 26 14 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 1  0  o 11.041  6.1739 253.813   204.108  0.0000    0.0000   253.813   204.108  11.041  6.1739 11.041  6.1739 0.000000       0.000000 
1 1 1 27 1  1  o 10.503  4.4992 116.112   168.696  0.0000    0.0000   116.112   168.696  ?       ?      10.503  4.4992 ?              ?        
1 1 1 27 1  2  o 8.3177  3.9674 -84.9223  183.526  0.0000    0.0000   -84.9223  183.526  ?       ?      8.3177  3.9674 ?              ?        
1 1 1 27 1  3  o 9.1600  4.2848 -13.7626  195.536  0.0000    0.0000   -13.7626  195.536  ?       ?      9.1600  4.2848 ?              ?        
1 1 1 27 1  4  o 8.0388  3.9248 -146.7116 207.141  0.0000    0.0000   -146.7116 207.141  ?       ?      8.0388  3.9248 ?              ?        
1 1 1 27 1  5  o 11.258  5.1905 292.927   271.389  0.0000    0.0000   292.927   271.389  ?       ?      11.258  5.1905 ?              ?        
1 1 1 27 1  6  o 9.4447  4.4563 90.200    219.634  0.0000    0.0000   90.200    219.634  ?       ?      9.4447  4.4563 ?              ?        
1 1 1 27 1  7  o 7.9539  2.7439 5.2883    139.939  -20.6435  182.756  42.042    217.574  7.6214  3.7134 8.2864  4.0406 -0.6650848     5.487780 
1 1 1 27 1  8  o 9.8448  3.3310 274.450   185.764  267.230   239.980  285.243   293.424  9.9222  4.6744 9.7675  4.7469 0.1546936      6.662044 
1 1 1 27 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 2  1  o 11.838  4.9581 200.681   197.215  0.0000    0.0000   200.681   197.215  ?       ?      11.838  4.9581 ?              ?        
1 1 1 27 2  2  o 6.6555  3.2808 -223.6257 156.020  0.0000    0.0000   -223.6257 156.020  ?       ?      6.6555  3.2808 ?              ?        
1 1 1 27 2  3  o 14.425  6.0152 445.337   288.460  0.0000    0.0000   445.337   288.460  ?       ?      14.425  6.0152 ?              ?        
1 1 1 27 2  4  o 10.671  4.9031 153.841   239.357  0.0000    0.0000   153.841   239.357  ?       ?      10.671  4.9031 ?              ?        
1 1 1 27 2  5  o 8.0646  3.8827 -37.8930  185.064  0.0000    0.0000   -37.8930  185.064  ?       ?      8.0646  3.8827 ?              ?        
1 1 1 27 2  6  o 9.7032  4.6209 100.190   246.939  0.0000    0.0000   100.190   246.939  ?       ?      9.7032  4.6209 ?              ?        
1 1 1 27 2  7  f 6.8900  3.4926 -292.2708 244.684  0.0000    0.0000   -292.2708 244.684  ?       ?      6.8900  3.4926 ?              ?        
1 1 1 27 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 3  2  f 7.9048  3.7473 -75.2383  158.748  0.0000    0.0000   -75.2383  158.748  ?       ?      7.9048  3.7473 ?              ?        
1 1 1 27 3  3  o 8.2637  3.9037 -52.9786  169.459  0.0000    0.0000   -52.9786  169.459  ?       ?      8.2637  3.9037 ?              ?        
1 1 1 27 3  4  o 9.2719  4.3629 33.682    207.942  0.0000    0.0000   33.682    207.942  ?       ?      9.2719  4.3629 ?              ?        
1 1 1 27 3  5  o 8.6597  4.2162 -0.6320   234.360  0.0000    0.0000   -0.6320   234.360  ?       ?      8.6597  4.2162 ?              ?        
1 1 1 27 3  6  o 11.560  5.3235 328.059   284.299  0.0000    0.0000   328.059   284.299  ?       ?      11.560  5.3235 ?              ?        
1 1 1 27 3  7  o 7.3591  3.6128 -16.7969  182.994  0.0000    0.0000   -16.7969  182.994  ?       ?      7.3591  3.6128 ?              ?        
1 1 1 27 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 4  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 4  3  o 11.708  5.0888 231.232   221.965  0.0000    0.0000   231.232   221.965  ?       ?      11.708  5.0888 ?              ?        
1 1 1 27 4  4  f 8.1732  3.9223 -54.1991  185.397  0.0000    0.0000   -54.1991  185.397  ?       ?      8.1732  3.9223 ?              ?        
1 1 1 27 4  5  o 6.8138  3.4652 -481.6967 254.820  0.0000    0.0000   -481.6967 254.820  ?       ?      6.8138  3.4652 ?              ?        
1 1 1 27 4  6  o 7.5932  3.7703 -197.1122 220.019  0.0000    0.0000   -197.1122 220.019  ?       ?      7.5932  3.7703 ?              ?        
1 1 1 27 4  7  o 9.6390  4.7636 467.596   336.204  0.0000    0.0000   467.596   336.204  ?       ?      9.6390  4.7636 ?              ?        
1 1 1 27 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 5  3  o 12.693  5.5414 366.714   265.724  0.0000    0.0000   366.714   265.724  ?       ?      12.693  5.5414 ?              ?        
1 1 1 27 5  4  o 12.686  5.7288 501.828   309.200  0.0000    0.0000   501.828   309.200  ?       ?      12.686  5.7288 ?              ?        
1 1 1 27 5  5  o 9.3539  4.4690 90.199    234.888  0.0000    0.0000   90.199    234.888  ?       ?      9.3539  4.4690 ?              ?        
1 1 1 27 5  6  o 11.032  5.1854 360.185   292.289  0.0000    0.0000   360.185   292.289  ?       ?      11.032  5.1854 ?              ?        
1 1 1 27 5  7  o 7.5215  3.7663 -101.7563 240.214  0.0000    0.0000   -101.7563 240.214  ?       ?      7.5215  3.7663 ?              ?        
1 1 1 27 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 6  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 6  5  o 7.3681  3.5948 -118.1915 172.896  0.0000    0.0000   -118.1915 172.896  ?       ?      7.3681  3.5948 ?              ?        
1 1 1 27 6  6  f 9.3293  4.5389 230.355   270.210  0.0000    0.0000   230.355   270.210  ?       ?      9.3293  4.5389 ?              ?        
1 1 1 27 6  7  f 9.1064  4.3504 157.751   222.491  0.0000    0.0000   157.751   222.491  ?       ?      9.1064  4.3504 ?              ?        
1 1 1 27 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 7  4  o 9.6903  4.4790 137.439   203.996  0.0000    0.0000   137.439   203.996  ?       ?      9.6903  4.4790 ?              ?        
1 1 1 27 7  5  o 7.5579  3.6771 -81.3635  177.378  0.0000    0.0000   -81.3635  177.378  ?       ?      7.5579  3.6771 ?              ?        
1 1 1 27 7  6  o 6.8254  3.4051 -114.7627 188.365  0.0000    0.0000   -114.7627 188.365  ?       ?      6.8254  3.4051 ?              ?        
1 1 1 27 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 8  5  o 6.8553  3.4139 -140.3278 185.837  0.0000    0.0000   -140.3278 185.837  ?       ?      6.8553  3.4139 ?              ?        
1 1 1 27 8  6  o 8.3488  4.0347 67.506    204.460  0.0000    0.0000   67.506    204.460  ?       ?      8.3488  4.0347 ?              ?        
1 1 1 27 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 9  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 9  5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 10 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 10 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 10 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 10 5  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 11 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 11 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 11 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 11 3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 11 4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 12 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 12 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 27 12 2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 1  0  o 13.109  7.4876 520.385   308.776  0.0000    0.0000   520.385   308.776  13.109  7.4876 13.109  7.4876 0.000000       0.000000 
1 1 1 28 1  1  o 7.2334  3.4897 -91.7498  151.348  0.0000    0.0000   -91.7498  151.348  ?       ?      7.2334  3.4897 ?              ?        
1 1 1 28 1  2  o 8.0296  3.8495 -33.5285  177.590  0.0000    0.0000   -33.5285  177.590  ?       ?      8.0296  3.8495 ?              ?        
1 1 1 28 1  3  o 8.0086  3.9170 -57.2188  209.041  0.0000    0.0000   -57.2188  209.041  ?       ?      8.0086  3.9170 ?              ?        
1 1 1 28 1  4  o 7.3158  3.6677 -302.1121 231.017  0.0000    0.0000   -302.1121 231.017  ?       ?      7.3158  3.6677 ?              ?        
1 1 1 28 1  5  o 10.681  5.0763 348.237   295.026  0.0000    0.0000   348.237   295.026  ?       ?      10.681  5.0763 ?              ?        
1 1 1 28 1  6  o 7.6388  3.7835 -29.5507  216.396  0.0000    0.0000   -29.5507  216.396  ?       ?      7.6388  3.7835 ?              ?        
1 1 1 28 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 2  1  o 9.9002  4.4728 134.102   188.746  0.0000    0.0000   134.102   188.746  ?       ?      9.9002  4.4728 ?              ?        
1 1 1 28 2  2  o 6.2823  3.1652 -335.6869 183.482  0.0000    0.0000   -335.6869 183.482  ?       ?      6.2823  3.1652 ?              ?        
1 1 1 28 2  3  o 11.191  5.1757 360.839   272.962  0.0000    0.0000   360.839   272.962  ?       ?      11.191  5.1757 ?              ?        
1 1 1 28 2  4  o 9.7513  4.6282 101.036   243.590  0.0000    0.0000   101.036   243.590  ?       ?      9.7513  4.6282 ?              ?        
1 1 1 28 2  5  o 6.8116  3.4040 -201.4171 191.734  0.0000    0.0000   -201.4171 191.734  ?       ?      6.8116  3.4040 ?              ?        
1 1 1 28 2  6  o 8.5066  4.1960 90.295    256.578  0.0000    0.0000   90.295    256.578  ?       ?      8.5066  4.1960 ?              ?        
1 1 1 28 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 3  2  o 10.141  4.6491 201.879   213.513  0.0000    0.0000   201.879   213.513  ?       ?      10.141  4.6491 ?              ?        
1 1 1 28 3  3  o 8.0533  3.8774 -21.7457  184.611  0.0000    0.0000   -21.7457  184.611  ?       ?      8.0533  3.8774 ?              ?        
1 1 1 28 3  4  o 8.3724  4.0641 -54.7395  213.394  0.0000    0.0000   -54.7395  213.394  ?       ?      8.3724  4.0641 ?              ?        
1 1 1 28 3  5  o 7.7745  3.8748 -59.0321  241.417  0.0000    0.0000   -59.0321  241.417  ?       ?      7.7745  3.8748 ?              ?        
1 1 1 28 3  6  o 9.1610  4.5015 187.717   286.105  0.0000    0.0000   187.717   286.105  ?       ?      9.1610  4.5015 ?              ?        
1 1 1 28 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 4  2  o 9.0716  4.1607 107.111   171.293  0.0000    0.0000   107.111   171.293  ?       ?      9.0716  4.1607 ?              ?        
1 1 1 28 4  3  o 9.4600  4.4015 97.855    201.963  0.0000    0.0000   97.855    201.963  ?       ?      9.4600  4.4015 ?              ?        
1 1 1 28 4  4  o 11.566  5.2991 370.168   276.789  0.0000    0.0000   370.168   276.789  ?       ?      11.566  5.2991 ?              ?        
1 1 1 28 4  5  o 9.5088  4.5906 324.559   262.946  0.0000    0.0000   324.559   262.946  ?       ?      9.5088  4.5906 ?              ?        
1 1 1 28 4  6  o 7.6702  3.7891 -59.9763  211.982  0.0000    0.0000   -59.9763  211.982  ?       ?      7.6702  3.7891 ?              ?        
1 1 1 28 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 5  3  o 8.2960  3.9832 -31.6943  191.720  0.0000    0.0000   -31.6943  191.720  ?       ?      8.2960  3.9832 ?              ?        
1 1 1 28 5  4  o 8.8705  4.2391 91.626    211.610  0.0000    0.0000   91.626    211.610  ?       ?      8.8705  4.2391 ?              ?        
1 1 1 28 5  5  o 6.7252  3.3921 -208.9155 213.867  0.0000    0.0000   -208.9155 213.867  ?       ?      6.7252  3.3921 ?              ?        
1 1 1 28 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 6  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 6  4  o 6.9357  3.4664 -129.8822 199.127  0.0000    0.0000   -129.8822 199.127  ?       ?      6.9357  3.4664 ?              ?        
1 1 1 28 6  5  o 7.1377  3.5653 -146.7857 209.253  0.0000    0.0000   -146.7857 209.253  ?       ?      7.1377  3.5653 ?              ?        
1 1 1 28 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 7  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 7  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 7  4  o 10.367  4.9877 510.350   304.220  0.0000    0.0000   510.350   304.220  ?       ?      10.367  4.9877 ?              ?        
1 1 1 28 8  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 8  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 8  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 8  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 8  4  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 9  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 9  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 9  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 9  3  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 10 0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 28 10 1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 1  0  o 6.2011  4.2407 -3.1350   165.825  0.0000    0.0000   -3.1350   165.825  6.2011  4.2407 6.2011  4.2407 0.000000       0.000000 
1 1 1 29 1  1  o 8.5053  4.0093 44.539    177.029  0.0000    0.0000   44.539    177.029  ?       ?      8.5053  4.0093 ?              ?        
1 1 1 29 1  2  o 9.5083  4.5000 190.363   227.083  0.0000    0.0000   190.363   227.083  ?       ?      9.5083  4.5000 ?              ?        
1 1 1 29 1  3  o 8.4811  4.1698 143.830   246.608  0.0000    0.0000   143.830   246.608  ?       ?      8.4811  4.1698 ?              ?        
1 1 1 29 1  4  o 8.2081  4.0539 22.279    242.194  0.0000    0.0000   22.279    242.194  ?       ?      8.2081  4.0539 ?              ?        
1 1 1 29 2  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 2  1  o 9.9407  4.5863 197.989   212.410  0.0000    0.0000   197.989   212.410  ?       ?      9.9407  4.5863 ?              ?        
1 1 1 29 2  2  o 7.5248  3.6720 -25.6436  180.648  0.0000    0.0000   -25.6436  180.648  ?       ?      7.5248  3.6720 ?              ?        
1 1 1 29 2  3  o 8.0862  3.9724 79.652    222.380  0.0000    0.0000   79.652    222.380  ?       ?      8.0862  3.9724 ?              ?        
1 1 1 29 2  4  o 7.4462  3.7279 -142.8875 234.832  0.0000    0.0000   -142.8875 234.832  ?       ?      7.4462  3.7279 ?              ?        
1 1 1 29 3  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 3  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 3  2  o 8.8936  4.2575 179.818   215.476  0.0000    0.0000   179.818   215.476  ?       ?      8.8936  4.2575 ?              ?        
1 1 1 29 3  3  o 9.0070  4.3409 211.936   232.757  0.0000    0.0000   211.936   232.757  ?       ?      9.0070  4.3409 ?              ?        
1 1 1 29 3  4  o 8.8187  4.2940 111.519   243.262  0.0000    0.0000   111.519   243.262  ?       ?      8.8187  4.2940 ?              ?        
1 1 1 29 4  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 4  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 4  2  o 8.6860  4.1993 175.896   222.016  0.0000    0.0000   175.896   222.016  ?       ?      8.6860  4.1993 ?              ?        
1 1 1 29 4  3  o 10.100  4.8174 361.947   270.603  0.0000    0.0000   361.947   270.603  ?       ?      10.100  4.8174 ?              ?        
1 1 1 29 5  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 5  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 5  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 5  3  o 10.592  5.0458 425.770   294.828  0.0000    0.0000   425.770   294.828  ?       ?      10.592  5.0458 ?              ?        
1 1 1 29 6  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 6  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 6  2  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 7  0  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
1 1 1 29 7  1  x ?       ?      ?         ?        ?         ?        ?         ?        ?       ?      ?       ?      ?              ?        
# 
#END OF REFLECTIONS
