data_r7zb8sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2022-06-01 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7zb8 
_cell.length_a      122.4820 
_cell.length_b      81.2890 
_cell.length_c      63.7010 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.2200 
_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   0.82656 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.477 
_diffrn_reflns.pdbx_d_res_low    63.701 
_diffrn_reflns.limit_h_max       44 
_diffrn_reflns.limit_h_min       -44 
_diffrn_reflns.limit_k_max       31 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       25 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            19011 
_diffrn_reflns.pdbx_number_obs   16776 
# 
_entry.id   7zb8 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7zb8 
_symmetry.space_group_name_H-M   "C 1 2 1" 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X,  Y,  -Z"         
3 "X+1/2,  Y+1/2,  Z"   
4 "-X+1/2,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -44 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -44 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -44 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -43 3  1  f 3.037887  1.032983      5.537478       25.66629  -9.822625      26.66320      0.2887619      2.065967  
1 1 1 -43 5  1  o 2.938392  1.016072      -4.881281      24.36495  -6.683048      32.70391      -0.1891905     2.032145  
1 1 1 -42 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -42 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -42 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -42 2  1  o 3.046541  1.022357      -8.736118      23.44981  -2.086655      24.09739      -0.1911947     2.044713  
1 1 1 -42 2  2  o 4.356466  1.137548      81.15228       28.98242  -39.85163      26.07155      4.093601       2.275096  
1 1 1 -42 2  3  o 3.019138  1.014239      20.83768       26.34910  -45.26117      27.24629      1.302124       2.028478  
1 1 1 -42 2  4  o 5.296531  1.516899      80.22417       33.89213  67.41995       38.98928      0.8386462      3.033798  
1 1 1 -42 4  1  o 3.614402  1.143723      12.24831       23.63606  19.37703       24.49108      -0.2562941     2.287446  
1 1 1 -42 4  2  o 4.746318  1.330530      46.75976       25.57471  43.75274       27.92850      0.2581701      2.661060  
1 1 1 -42 4  3  o 3.147191  1.066861      -7.975227      26.63847  3.937579       27.95131      -0.2908141     2.133722  
1 1 1 -42 4  4  o 4.123485  1.276822      27.99134       28.00734  44.81052       29.20114      -0.5478697     2.553643  
1 1 1 -42 4  5  f 3.279331  1.105772      -12.02862      29.64663  28.59409       29.34262      -0.8338302     2.211545  
1 1 1 -42 6  1  o 4.198989  1.256834      24.56674       23.66731  50.49023       28.77406      -0.8902217     2.513667  
1 1 1 -42 6  2  o 2.661785  0.9287612     1.889347       25.54856  -58.19157      27.93339      0.7898153      1.857522  
1 1 1 -42 6  3  o 2.987554  1.026489      -40.77065      29.65356  21.35685       29.28215      -1.037558      2.052978  
1 1 1 -42 6  4  o 3.874418  1.230045      14.61951       28.49909  56.11862       30.33939      -1.189997      2.460091  
1 1 1 -42 8  1  o 3.738659  1.185819      11.07903       24.06068  56.94448       30.62007      -1.313835      2.371637  
1 1 1 -42 8  2  o 2.847796  0.9914212     -6.376067      26.42793  -15.14944      30.35938      0.2417348E-01  1.982842  
1 1 1 -41 1  1  o 5.034232  1.431420      31.24791       31.18972  57.19799       32.49866      -1.042394      2.862839  
1 1 1 -41 1  2  o 3.547818  1.220724      -2.243033      48.44367  -19.36292      31.43272      0.7725899      2.441448  
1 1 1 -41 1  3  o 4.372184  1.381132      33.50027       37.99797  24.81330       32.11688      0.2653448      2.762263  
1 1 1 -41 1  4  o 3.350244  1.154288      -12.80723      38.01788  -18.01838      32.68069      0.2583470      2.308575  
1 1 1 -41 1  5  f 3.012673  1.067180      -36.77177      43.30020  -46.94523      33.68021      0.4372551      2.134359  
1 1 1 -41 1  6  o 7.288471  1.753533      158.9839       45.24911  119.9872       42.18093      1.288985       3.507065  
1 1 1 -41 1  7  o 4.624157  1.474495      77.51625       43.07251  59.06957       38.66429      0.2861099      2.948989  
1 1 1 -41 3  1  o 4.280901  1.185222      38.79099       21.76926  10.87337       22.83369      1.387043       2.370443  
1 1 1 -41 3  2  o 2.911672  0.9897736     -7.060411      23.33529  -25.61691      24.80377      0.3177632      1.979547  
1 1 1 -41 3  3  o 4.752450  1.299000      32.94290       24.39405  42.70773       25.40143      -0.4684189     2.598001  
1 1 1 -41 3  4  o 3.446672  1.109164      -13.04649      24.41410  27.29813       26.41325      -1.246370      2.218327  
1 1 1 -41 3  5  o 2.952452  1.008594      -34.13848      25.90577  7.650033       27.12122      -0.8696790     2.017188  
1 1 1 -41 3  6  o 3.697714  1.172891      3.652770       26.66408  35.58572       26.45531      -0.9937223     2.345783  
1 1 1 -41 3  7  o 2.970543  1.021186      12.78147       27.96198  -27.25385      27.91347      0.7211868      2.042371  
1 1 1 -41 5  1  o 3.664624  1.127425      25.98087       21.63594  -3.149158      25.06793      0.9705055      2.254849  
1 1 1 -41 5  2  o 4.549476  1.247410      16.79828       23.18401  53.68975       25.79070      -1.742991      2.494820  
1 1 1 -41 5  3  o 6.037164  1.333783      75.39422       25.69212  51.15198       26.68744      1.562753       2.667565  
1 1 1 -41 5  4  o 5.676887  1.127426      103.6418       26.84521  -5.639244      27.32472      5.129909       2.254852  
1 1 1 -41 5  5  o 4.462815  1.296708      53.93003       27.44033  27.69710       26.70668      1.078003       2.593415  
1 1 1 -41 5  6  o 4.031034  1.249145      36.06571       26.83921  31.08435       27.74394      0.1932995      2.498290  
1 1 1 -41 5  7  o 3.801937  1.213522      49.76777       28.71331  16.23491       28.95514      0.9815125      2.427044  
1 1 1 -41 7  1  o 2.862000  0.9776492     -16.76508      21.24045  -3.948623      26.88297      -0.5394558     1.955298  
1 1 1 -41 7  2  o 3.536726  1.070807      -30.99128      23.56242  50.15820       26.40382      -2.530128      2.141615  
1 1 1 -41 7  3  o 3.358938  1.112481      -2.812586      26.71048  16.63402       26.81377      -0.4913041     2.224962  
1 1 1 -41 7  4  o 5.329445  1.403654      64.26925       27.56934  62.33835       29.28834      0.2601944      2.807307  
1 1 1 -41 7  5  f 4.873292  1.371157      60.53611       28.56904  54.69297       28.12804      0.2298387      2.742314  
1 1 1 -41 7  6  o 2.762086  0.9681606     -5.732462      29.48833  -25.35381      27.42924      0.3460441      1.936321  
1 1 1 -41 9  1  o 2.488407  0.8788257     -24.27047      22.81271  -48.26708      29.02057      0.1488050E-01  1.757651  
1 1 1 -41 9  2  o 3.948678  1.224486      37.28524       24.72629  25.08686       29.18884      0.4997552      2.448971  
1 1 1 -41 9  3  o 2.922141  1.009562      5.498780       27.05788  -23.27208      28.79194      0.4385260      2.019124  
1 1 1 -41 9  4  o 3.436999  1.141766      36.03069       27.32373  -3.078269      33.32443      0.8290882      2.283533  
1 1 1 -41 11 1  o 3.610524  1.153800      4.875960       24.08848  68.97097       31.37848      -1.684739      2.307600  
1 1 1 -41 11 2  o 3.257777  1.090824      18.75218       24.03680  17.98963       30.47028      0.1435889E-01  2.181649  
1 1 1 -41 11 3  o 3.680017  1.213492      36.88247       29.86929  46.47125       32.10982      -0.1676661     2.426983  
1 1 1 -40 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -40 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -40 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -40 0  4  o 3.098069  2.000708      11.96444       28.91199  11.96444       28.91199      ?              ?         
1 1 1 -40 0  5  o 1.792069  1.294821      -36.23673      24.02415  -36.23673      24.02415      ?              ?         
1 1 1 -40 0  6  o 2.866976  1.835679      11.52240       23.68012  11.52240       23.68012      ?              ?         
1 1 1 -40 0  7  o 14.48032  1.321667      245.1052       37.50508  245.1052       37.50508      ?              ?         
1 1 1 -40 0  8  o 11.37611  1.628614      167.4456       34.85657  167.4456       34.85657      ?              ?         
1 1 1 -40 2  1  o 3.536991  1.008410      -22.77017      19.45854  31.57308       19.83522      -2.295310      2.016820  
1 1 1 -40 2  2  o 4.256002  1.214128      29.95634       23.73337  14.39883       21.95376      0.7857552      2.428255  
1 1 1 -40 2  3  o 3.724236  1.135154      17.87150       21.70837  3.752011       22.38577      0.5514114      2.270308  
1 1 1 -40 2  4  o 3.452172  1.092846      31.70487       26.75478  -58.06476      29.86497      2.006132       2.185692  
1 1 1 -40 2  5  o 3.497493  1.187861      -17.06925      38.67673  -6.084601      30.61771      0.8363120E-01  2.375722  
1 1 1 -40 2  6  f 4.915313  1.470125      56.28341       36.66145  42.51300       33.94986      0.4083046      2.940250  
1 1 1 -40 2  7  o 5.136387  1.458600      25.68068       38.80969  94.47070       36.11172      -2.425362      2.917199  
1 1 1 -40 2  8  o 4.431209  1.418160      62.46000       39.46089  43.40274       37.01386      0.4228055      2.836319  
1 1 1 -40 2  9  o 3.627604  1.249929      38.44412       39.55297  13.81692       44.50081      0.3580137      2.499858  
1 1 1 -40 4  1  o 3.862877  1.131839      14.16767       19.78065  16.80972       20.71759      -0.1563063     2.263679  
1 1 1 -40 4  2  o 4.303667  1.132504      -2.480522      20.97194  46.79748       22.43889      -2.498897      2.265009  
1 1 1 -40 4  3  o 4.376953  1.151316      -1.239191      21.75961  49.40138       23.06389      -2.519018      2.302632  
1 1 1 -40 4  4  o 3.001154  1.007704      -22.76464      22.98404  0.4248088      24.07088      -0.6265901     2.015409  
1 1 1 -40 4  5  o 3.458948  1.111040      -1.111169      24.87022  12.02443       23.00631      -0.3456881     2.222079  
1 1 1 -40 4  6  o 3.228182  1.044498      -26.59068      24.18636  25.12529       24.32767      -1.421891      2.088996  
1 1 1 -40 4  7  o 3.030039  1.013802      19.39000       25.11580  -34.14793      25.73599      1.163902       2.027604  
1 1 1 -40 4  8  f 4.042827  1.257204      36.93873       28.78852  32.17124       26.85733      0.1206191      2.514408  
1 1 1 -40 4  9  o 2.922942  1.017300      -20.34073      29.89045  6.991114       29.62457      -0.4118133     2.034600  
1 1 1 -40 6  1  o 7.379304  1.147553      69.16884       20.93273  82.94688       26.73552      -0.2883103     2.295105  
1 1 1 -40 6  2  o 2.455689  0.8585784     -49.81545      21.20065  -16.96726      23.61714      -0.7196889     1.717157  
1 1 1 -40 6  3  o 3.847725  1.172474      13.57793       22.80356  19.84462       23.60312      -0.2692650     2.344949  
1 1 1 -40 6  4  o 5.383755  1.330254      54.76934       24.63127  44.28259       25.84212      0.6822140      2.660508  
1 1 1 -40 6  5  o 3.823786  1.180327      11.26975       24.82597  26.59667       24.07961      -0.5604229     2.360655  
1 1 1 -40 6  6  o 6.720378  1.334856      74.45309       26.25708  84.27310       26.68039      -0.5657355     2.669713  
1 1 1 -40 6  7  o 5.049471  1.247367      87.27248       27.30837  15.88504       26.78517      3.284296       2.494733  
1 1 1 -40 6  8  o 3.801708  1.220435      31.34527       29.76000  33.92770       27.48104      -0.1170266     2.440870  
1 1 1 -40 6  9  o 3.296214  1.124438      30.09154       30.68868  12.28657       32.67175      0.3283862      2.248875  
1 1 1 -40 8  1  o 8.948671  1.051331      90.82720       23.49014  127.4046       27.88834      -1.539517      2.102663  
1 1 1 -40 8  2  o 2.888869  0.9759795     -23.92869      21.38041  5.141518       24.87813      -0.8656446     1.951959  
1 1 1 -40 8  3  o 3.977939  1.190784      1.923749       25.03780  44.26522       25.74819      -1.605337      2.381568  
1 1 1 -40 8  4  o 4.920153  1.319658      54.12986       24.98236  38.60522       26.92018      0.8938896      2.639315  
1 1 1 -40 8  5  o 4.436817  1.240061      15.71996       25.62233  60.54271       25.76076      -1.958080      2.480123  
1 1 1 -40 8  6  o 2.952263  1.012108      -23.58610      27.64950  8.167603       25.97651      -0.5415277     2.024216  
1 1 1 -40 8  7  o 3.356519  1.116303      23.58791       27.16472  10.08340       27.41900      0.3259585      2.232607  
1 1 1 -40 8  8  o 3.531642  1.175092      31.68485       31.00000  33.60725       29.43013      -0.7027993E-01 2.350185  
1 1 1 -40 10 1  o 2.605431  0.9055163     -36.37711      21.10292  -0.8164951     27.04539      -0.9262314     1.811033  
1 1 1 -40 10 2  o 3.619071  1.152258      14.12951       23.49379  23.85514       26.24209      -0.3370420     2.304517  
1 1 1 -40 10 3  o 3.341235  1.104047      -6.032126      25.69214  27.67530       27.63995      -0.8909063     2.208094  
1 1 1 -40 10 4  o 3.380221  1.116265      16.09225       26.01586  11.30099       26.78029      0.1150391      2.232531  
1 1 1 -40 10 5  o 3.207387  1.078808      7.204513       26.66280  12.78071       26.87250      -0.1286443     2.157615  
1 1 1 -40 12 1  o 2.897492  0.9874192     11.53553       22.22095  -21.61750      28.65182      0.4653253      1.974838  
1 1 1 -40 12 2  o 7.519298  1.340655      121.1092       27.51860  107.9958       31.93869      1.768104       2.681310  
1 1 1 -40 12 3  o 3.007812  1.038087      -0.9261044     27.76904  9.061164       30.01765      -0.2062447     2.076174  
1 1 1 -40 12 4  o 3.822967  1.247515      65.92859       33.75271  32.96123       29.74721      0.6901690      2.495029  
1 1 1 -40 14 1  o 2.884375  1.000237      -3.833386      24.62143  33.11270       31.19038      -0.6584520     2.000474  
1 1 1 -40 14 2  o 4.039257  1.272569      44.19481       26.70435  93.28663       33.37867      -0.9805796     2.545137  
1 1 1 -39 1  1  o 6.946081  1.336600      78.14392       27.34374  51.02616       27.93505      1.709051       2.673200  
1 1 1 -39 1  2  o 4.063831  1.282063      -9.099241      37.98800  13.60862       25.46996      -0.1361070     2.564126  
1 1 1 -39 1  3  o 5.596730  1.385391      18.75303       32.64829  63.63707       28.02261      -2.198633      2.770782  
1 1 1 -39 1  4  o 4.759756  1.354545      58.55498       33.95040  3.909226       27.48923      2.249407       2.709090  
1 1 1 -39 1  5  o 4.777313  1.403141      49.01880       35.22912  18.38468       28.72111      1.199373       2.806282  
1 1 1 -39 1  6  o 8.700372  1.402693      156.4965       36.53439  74.33599       34.41543      4.146241       2.805387  
1 1 1 -39 1  7  o 4.856920  1.364472      78.12129       34.26122  -0.8823697     32.46101      2.798733       2.728944  
1 1 1 -39 1  8  f 3.333876  1.154853      -37.49439      33.87159  9.802965       40.64059      -0.9029785     2.309706  
1 1 1 -39 1  9  o 3.586460  1.168211      44.31833       32.81927  -7.858656      26.01616      1.441605       2.336422  
1 1 1 -39 1  10 o 3.045612  1.037953      -16.09243      26.72123  14.90306       27.39258      -0.6383715     2.075907  
1 1 1 -39 3  1  o 4.438076  1.142304      24.89169       18.33545  22.25520       18.86970      0.1653344      2.284608  
1 1 1 -39 3  2  o 4.402833  1.121956      36.12672       19.02418  7.020554       20.02213      1.705425       2.243913  
1 1 1 -39 3  3  o 4.799541  1.182764      15.02835       20.36176  44.21242       21.53781      -1.781460      2.365529  
1 1 1 -39 3  4  o 2.876659  0.9620178     -4.494297      20.54189  -24.94735      21.55220      0.4637538      1.924036  
1 1 1 -39 3  5  o 9.180360  0.9881179     114.8537       25.36022  91.73512       24.13777      1.185913       1.976236  
1 1 1 -39 3  6  o 4.887959  1.216845      49.00486       22.29265  20.08561       22.08029      1.693138       2.433689  
1 1 1 -39 3  7  o 2.649149  0.9135767     -39.79016      22.55996  -8.733006      22.92571      -0.6253025     1.827153  
1 1 1 -39 3  8  o 3.630372  1.165454      6.634097       25.05843  20.02344       27.17849      -0.4540551     2.330908  
1 1 1 -39 3  9  o 3.627448  1.196622      32.78744       28.07047  -15.79207      39.04825      0.8646768      2.393245  
1 1 1 -39 3  10 o 3.358120  1.154607      -40.50910      37.02117  66.74591       41.37100      -1.542982      2.309215  
1 1 1 -39 5  1  o 6.711661  0.9639103     13.81969       19.42798  100.4315       21.00958      -5.550292      1.927821  
1 1 1 -39 5  2  o 8.108814  1.022235      48.64925       21.30541  114.2311       23.61788      -3.914547      2.044471  
1 1 1 -39 5  3  o 4.383826  1.123225      -1.756466      20.64367  45.58891       21.55988      -2.521185      2.246451  
1 1 1 -39 5  4  o 5.454156  1.247350      37.68515       21.74109  47.68052       22.36458      -0.6328657     2.494701  
1 1 1 -39 5  5  o 3.887836  1.152795      8.878009       22.21180  22.78285       21.25396      -0.5977815     2.305591  
1 1 1 -39 5  6  o 3.109663  0.9955423     21.06543       22.21334  -31.94642      21.99246      1.555835       1.991085  
1 1 1 -39 5  7  o 3.562661  1.074245      -19.67602      22.78043  38.01135       23.41825      -2.033199      2.148489  
1 1 1 -39 5  8  o 4.198246  1.189013      -0.5708596     26.19011  56.32898       25.08100      -2.261542      2.378027  
1 1 1 -39 5  9  o 2.886113  0.9969103     -14.15233      26.51932  -7.865810      27.12176      -0.1315445     1.993821  
1 1 1 -39 5  10 f 4.189312  1.292874      46.80945       28.54679  51.49322       29.27610      -0.1235000     2.585748  
1 1 1 -39 7  1  o 4.179703  1.159000      17.70644       18.03816  26.82593       22.34696      -0.5559597     2.318000  
1 1 1 -39 7  2  o 6.977829  1.140170      51.21229       21.01510  79.15103       23.39696      -1.712392      2.280340  
1 1 1 -39 7  3  o 4.118348  1.076426      47.21626       21.54509  -19.40800      22.31234      2.925266       2.152852  
1 1 1 -39 7  4  o 6.735349  0.9904587     3.589550       22.53619  121.0573       24.51908      -6.573097      1.980917  
1 1 1 -39 7  5  o 5.788327  1.279842      47.72173       23.89796  58.18752       23.09745      -0.7452827     2.559685  
1 1 1 -39 7  6  o 7.817746  1.185278      102.3593       25.56334  76.42204       25.67171      1.654948       2.370556  
1 1 1 -39 7  7  o 3.014467  1.022183      -10.85247      25.88155  -3.513392      24.40578      -0.9934885E-01 2.044366  
1 1 1 -39 7  8  o 4.224926  1.264036      50.00919       27.40600  27.23264       25.60998      0.8438551      2.528071  
1 1 1 -39 7  9  o 2.938909  1.018572      -2.073086      28.11410  -7.851578      29.39795      0.6326982E-01  2.037145  
1 1 1 -39 7  10 o 2.634073  0.9323794     1.973669       29.30107  -36.46231      29.41961      0.4631842      1.864759  
1 1 1 -39 9  1  o 4.831262  1.222391      36.31877       19.35490  34.22740       24.00731      0.2840891      2.444783  
1 1 1 -39 9  2  o 3.281397  1.058565      -1.444228      20.34752  8.228603       23.44768      -0.4559194     2.117131  
1 1 1 -39 9  3  o 7.632054  1.230049      78.22128       25.44424  94.41349       26.53034      -0.8928770     2.460098  
1 1 1 -39 9  4  o 6.778296  1.288814      78.93899       25.46350  68.50440       25.14550      0.6442721      2.577628  
1 1 1 -39 9  5  o 2.355283  0.8356621     -53.28268      24.49932  -36.91591      23.96908      -0.1756682     1.671324  
1 1 1 -39 9  6  o 3.242415  1.066213      -6.591701      25.01184  16.89848       23.48050      -0.5963172     2.132425  
1 1 1 -39 9  7  f 3.128378  1.007281      -50.79187      26.94645  41.10564       25.30453      -1.987356      2.014562  
1 1 1 -39 9  8  o 2.633521  0.9279420     -7.364133      28.25569  -33.92085      26.80928      0.4097064      1.855884  
1 1 1 -39 11 1  o 5.890300  1.237800      38.39803       20.96783  81.45125       25.29127      -2.354605      2.475600  
1 1 1 -39 11 2  o 3.213603  1.054798      -3.806725      21.13885  15.62801       25.46660      -0.7014207     2.109596  
1 1 1 -39 11 3  o 4.037820  1.224568      29.71999       23.92798  28.10527       26.38379      0.9661975E-01  2.449137  
1 1 1 -39 11 4  o 4.151346  1.152306      -4.749496      24.48940  63.54081       25.17405      -2.703869      2.304612  
1 1 1 -39 11 5  o 5.376266  1.375136      67.92032       26.85145  62.59840       26.96545      0.3020960      2.750273  
1 1 1 -39 11 6  o 3.832945  1.211998      32.05144       27.35742  36.00489       26.58357      -0.1473165     2.423995  
1 1 1 -39 11 7  o 4.371471  1.310962      80.25004       30.54158  40.76529       27.93812      1.260543       2.621924  
1 1 1 -39 13 1  o 5.812904  1.351280      63.13860       23.02178  85.71030       29.17416      -0.4095018     2.702560  
1 1 1 -39 13 2  o 2.955169  1.004940      3.004715       22.27787  -2.874423      27.68937      -0.1888817E-01 2.009879  
1 1 1 -39 13 3  o 3.021007  1.044218      -11.89376      27.06194  19.20238       32.22622      -0.6190232     2.088436  
1 1 1 -39 13 4  f 2.900151  1.001847      -8.347273      27.08047  7.865435       27.23092      -0.2864584     2.003694  
1 1 1 -39 13 5  o 3.047053  1.042768      -5.953832      27.42291  31.23110       28.74630      -0.7131117     2.085537  
1 1 1 -39 15 1  o 2.847177  0.9934109     13.26414       27.77972  -4.740713      30.39151      0.2378053      1.986822  
1 1 1 -39 15 2  o 3.128902  1.065202      17.10867       24.78374  32.14231       31.36806      -0.2439005     2.130405  
1 1 1 -39 15 3  o 2.704475  0.9576747     -14.84419      30.73445  9.773842       31.25314      -0.2938789     1.915349  
1 1 1 -38 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -38 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -38 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -38 0  4  o 2.040897  1.444818      -25.41307      24.32975  -25.41307      24.32975      ?              ?         
1 1 1 -38 0  5  o 3.705406  1.982605      23.96113       20.09217  23.96113       20.09217      ?              ?         
1 1 1 -38 0  6  o 4.267718  2.029263      31.44230       19.73927  31.44230       19.73927      ?              ?         
1 1 1 -38 0  7  o 7.632147  1.666006      72.79296       22.27521  72.79296       22.27521      ?              ?         
1 1 1 -38 0  8  o 3.179634  1.930868      17.52816       22.85374  17.52816       22.85374      ?              ?         
1 1 1 -38 0  9  f 6.593446  2.095210      66.22430       24.31301  66.22430       24.31301      ?              ?         
1 1 1 -38 0  10 o 2.458886  1.664282      1.398437       24.19031  1.398437       24.19031      ?              ?         
1 1 1 -38 0  11 o 2.470839  1.675495      4.409259       24.74700  4.409259       24.74700      ?              ?         
1 1 1 -38 2  1  o 7.084536  0.9322920     72.68318       17.83172  40.01109       18.40986      2.367642       1.864584  
1 1 1 -38 2  2  o 8.451139  0.8902793     69.47311       20.65413  89.83134       20.40527      -1.254408      1.780559  
1 1 1 -38 2  3  o 4.081256  1.099666      4.487989       18.57780  27.81811       18.75702      -1.352235      2.199332  
1 1 1 -38 2  4  o 7.200982  1.242867      75.52859       24.23025  55.22818       27.51307      1.496436       2.485734  
1 1 1 -38 2  5  o 3.586764  1.177048      0.1725512      32.23198  -11.42400      25.54088      0.6509081      2.354097  
1 1 1 -38 2  6  o 5.087677  1.386648      37.41978       28.86672  35.52546       27.56658      0.8348079E-01  2.773296  
1 1 1 -38 2  7  o 5.161351  1.400825      59.18523       30.52596  23.09076       29.89283      1.619115       2.801649  
1 1 1 -38 2  8  o 4.760334  1.372787      61.05530       31.18598  3.651405       35.53304      2.001211       2.745575  
1 1 1 -38 2  9  o 5.990822  1.538431      97.68027       34.88670  54.06383       38.48907      2.124875       3.076863  
1 1 1 -38 2  10 o 5.445323  1.525913      48.82516       35.70322  110.4917       39.13879      -2.077151      3.051827  
1 1 1 -38 2  11 o 3.999076  1.319387      36.60208       34.20147  52.14303       39.38401      -0.2412215     2.638773  
1 1 1 -38 4  1  o 12.98269  0.7289621     165.8800       26.24711  198.8389       26.71119      -1.261368      1.457924  
1 1 1 -38 4  2  o 4.166633  1.109750      12.07385       17.42438  25.48547       18.82381      -0.8733710     2.219500  
1 1 1 -38 4  3  o 12.53465  0.7863791     151.8578       27.37850  194.2270       27.50719      -1.705521      1.572758  
1 1 1 -38 4  4  f 7.580014  1.016342      50.93066       20.82475  85.29785       21.29599      -2.267907      2.032685  
1 1 1 -38 4  5  o 3.789304  1.102394      24.28703       20.79293  0.9458146      19.09473      1.203833       2.204788  
1 1 1 -38 4  6  o 3.911168  1.133976      15.96521       20.07240  15.26849       19.99014      0.3762839E-01  2.267951  
1 1 1 -38 4  7  o 2.865623  0.9674197     -25.86384      23.11559  -7.009883      21.30914      -0.3288499     1.934839  
1 1 1 -38 4  8  o 4.844446  1.273582      33.26814       23.70570  41.05126       23.15206      -0.4527139     2.547164  
1 1 1 -38 4  9  o 5.225067  1.313550      59.47123       25.03013  38.84674       25.01461      1.160808       2.627100  
1 1 1 -38 4  10 o 4.562412  1.185397      70.91109       25.12447  3.274380       25.45258      2.985628       2.370794  
1 1 1 -38 4  11 o 3.240349  1.081051      2.407140       26.77735  21.58421       25.56969      -0.4470151     2.162101  
1 1 1 -38 6  1  o 3.865847  1.098778      13.42129       16.83967  14.43604       20.19912      -0.1961928     2.197555  
1 1 1 -38 6  2  o 11.22992  0.7883255     156.6483       23.71831  122.0111       25.39895      1.662240       1.576651  
1 1 1 -38 6  3  f 7.953875  0.9967815     72.22629       21.15110  79.68950       22.04800      -0.4128708     1.993563  
1 1 1 -38 6  4  f 4.074593  1.139664      7.730812       19.53932  28.63429       20.84006      -1.144150      2.279328  
1 1 1 -38 6  5  o 4.094584  1.081119      -9.973876      21.17933  39.70792       19.99085      -2.397573      2.162238  
1 1 1 -38 6  6  o 3.438730  1.077569      1.901211       20.84933  9.341550       20.89391      -0.2863197     2.155137  
1 1 1 -38 6  7  o 4.859684  1.214930      17.79215       23.56999  51.54387       22.17684      -1.916966      2.429860  
1 1 1 -38 6  8  o 6.553677  1.286894      67.11340       25.41373  70.90794       24.17632      -0.3973695     2.573788  
1 1 1 -38 6  9  o 4.233793  1.225640      15.05531       24.84643  50.58856       25.28158      -1.504160      2.451281  
1 1 1 -38 6  10 o 3.298266  1.090254      23.70304       25.67149  -0.3548560     25.75131      0.6203832      2.180509  
1 1 1 -38 6  11 o 3.085199  1.029835      43.28566       27.51559  -20.56492      25.70592      1.406962       2.059669  
1 1 1 -38 8  1  o 7.323138  0.9806939     67.32900       18.36476  62.07233       21.26000      0.5910209      1.961388  
1 1 1 -38 8  2  o 6.141996  1.009020      77.60405       19.25741  13.91809       21.91944      4.241424       2.018041  
1 1 1 -38 8  3  o 3.147992  1.034874      -15.10884      23.48030  -0.3142755     21.53522      -0.3021827     2.069748  
1 1 1 -38 8  4  f 3.011120  0.9992307     -11.54191      19.90945  -4.949605      23.37137      -0.4031011     1.998461  
1 1 1 -38 8  5  o 5.920912  1.250434      51.99622       23.12894  51.87122       22.00969      -0.7630346E-01 2.500869  
1 1 1 -38 8  6  o 7.100811  1.161412      72.57098       22.36138  70.36604       23.45321      0.2757492      2.322823  
1 1 1 -38 8  7  o 2.984111  1.004588      -0.5110671E-01 24.33279  -14.42981      22.46488      0.4371998      2.009177  
1 1 1 -38 8  8  f 5.693415  1.252351      34.54642       25.66072  81.93916       24.72856      -2.818409      2.504701  
1 1 1 -38 8  9  o 3.163144  1.045842      30.97564       25.17657  -27.43966      27.62531      1.273795       2.091684  
1 1 1 -38 8  10 o 2.806710  0.9764028     -3.600325      27.32336  -10.44137      27.03654      0.1172211      1.952806  
1 1 1 -38 10 1  o 4.289814  1.155161      18.83579       17.50560  32.98100       21.95790      -0.8193702     2.310321  
1 1 1 -38 10 2  o 5.298087  1.223927      35.10181       19.76906  49.52250       22.75852      -0.8042492     2.447853  
1 1 1 -38 10 3  o 6.080774  1.262665      62.82423       22.97489  49.14497       24.02217      0.9971765      2.525330  
1 1 1 -38 10 4  o 5.494208  1.192999      67.00320       22.58158  25.12816       22.29656      2.606500       2.385997  
1 1 1 -38 10 5  o 3.032690  1.009941      -3.008648      22.68572  -5.828044      22.05584      0.1055926      2.019882  
1 1 1 -38 10 6  o 3.291824  1.065612      19.05352       23.67775  -4.482293      22.06475      0.7812361      2.131224  
1 1 1 -38 10 7  o 4.230770  1.233975      24.19043       25.54859  44.94557       24.02056      -0.9422221     2.467950  
1 1 1 -38 10 8  o 3.124498  1.050236      9.195838       26.27440  3.454553       24.29473      0.1749419      2.100473  
1 1 1 -38 10 9  o 2.679000  0.9391173     -2.751584      27.65421  -21.92618      25.96198      0.3330261      1.878235  
1 1 1 -38 12 1  o 3.722644  1.063420      34.98036       18.90062  -10.53347      23.20091      1.805892       2.126840  
1 1 1 -38 12 2  o 2.745265  0.9328218     -17.94916      18.86067  -1.380608      23.95267      -0.6741052     1.865644  
1 1 1 -38 12 3  o 2.850373  0.9734752     -20.12427      22.65792  -2.439351      24.95513      -0.4843766     1.946950  
1 1 1 -38 12 4  o 5.669904  1.313108      56.80253       24.40997  62.97977       24.27091      -0.4024008     2.626216  
1 1 1 -38 12 5  o 2.970322  0.9969977     18.38549       24.18792  -24.63766      24.16063      0.9915816      1.993995  
1 1 1 -38 12 6  o 4.907971  1.276225      32.20353       26.30717  75.89242       25.72560      -2.189776      2.552449  
1 1 1 -38 12 7  o 3.150529  1.062707      3.010235       27.10569  19.07598       25.99791      -0.3415613     2.125414  
1 1 1 -38 14 1  o 6.716210  1.267594      64.12452       22.42297  103.5566       27.28970      -1.723327      2.535189  
1 1 1 -38 14 2  o 3.730178  1.158251      27.62849       21.36981  25.33394       26.70196      0.1630179      2.316502  
1 1 1 -38 14 3  o 3.649722  1.167941      16.75613       26.64262  37.68237       26.07980      -0.6464010     2.335882  
1 1 1 -38 14 4  o 2.839318  0.9619595     -42.23852      25.83225  31.47771       26.10276      -1.384247      1.923919  
1 1 1 -38 14 5  o 2.671221  0.9349514     -1.210495      26.14552  -21.05717      26.49842      0.2893517      1.869903  
1 1 1 -38 14 6  o 3.329772  1.113606      25.85093       27.95074  31.16649       27.56534      -0.1286191     2.227211  
1 1 1 -38 16 1  o 2.839000  0.9784349     -16.33693      23.99708  37.42084       29.31911      -1.027420      1.956870  
1 1 1 -38 16 2  o 3.795745  1.192269      49.88913       23.68397  41.66311       30.62581      0.6367050      2.384538  
1 1 1 -38 16 3  f 2.671042  0.9378222     8.516032       26.10376  -15.69093      28.98494      0.2879738      1.875644  
1 1 1 -37 1  1  o 3.825684  1.134370      15.33728       21.04559  -1.762234      21.30336      0.7569795      2.268740  
1 1 1 -37 1  2  o 4.251414  1.245038      10.45815       28.17204  13.81221       21.65478      0.1740656      2.490077  
1 1 1 -37 1  3  o 3.617179  1.139850      -14.34413      26.62180  5.895661       21.91101      -0.3631878     2.279701  
1 1 1 -37 1  4  o 9.319621  1.176387      93.86552       32.46291  110.0958       28.03882      -1.154717      2.352775  
1 1 1 -37 1  5  o 4.713183  1.298423      13.86800       28.66895  30.38806       23.18126      -0.6399733     2.596846  
1 1 1 -37 1  6  f 8.985824  1.233094      118.2116       30.53683  82.45402       29.98760      1.976607       2.466189  
1 1 1 -37 1  7  o 5.125668  1.372981      37.04707       27.75487  33.69722       26.94349      0.1670306      2.745962  
1 1 1 -37 1  8  o 3.601600  1.183467      -3.955498      27.43370  -4.330874      30.79821      -0.1453330     2.366934  
1 1 1 -37 1  9  o 4.126202  1.219665      13.27027       27.78094  24.49645       21.55011      -0.3528010     2.439331  
1 1 1 -37 1  10 o 2.834639  0.9444593     -39.00153      22.09948  11.28500       22.11067      -1.211581      1.888919  
1 1 1 -37 1  11 o 4.619635  1.248671      47.44698       23.23738  30.87994       23.12374      0.8767270      2.497341  
1 1 1 -37 1  12 o 6.434559  1.238673      96.83496       24.61426  56.35434       24.70154      2.596066       2.477346  
1 1 1 -37 3  1  o 12.17982  0.6831430     161.7247       23.20833  151.8315       23.45645      0.4166749      1.366286  
1 1 1 -37 3  2  o 16.20432  0.8411434     268.2640       40.42027  298.9863       36.34953      -1.108953      1.682287  
1 1 1 -37 3  3  o 12.35228  0.7365553     165.7442       25.40517  161.5259       25.57884      0.1782271      1.473111  
1 1 1 -37 3  4  o 5.384791  1.116140      30.99966       18.04714  38.71409       18.29049      -0.5827544     2.232279  
1 1 1 -37 3  5  o 7.493451  0.9520335     86.56177       20.14300  42.78974       18.56693      2.887507       1.904067  
1 1 1 -37 3  6  o 3.021107  0.9717399     -6.915804      18.22740  -2.620444      18.18941      -0.1528125     1.943480  
1 1 1 -37 3  7  o 4.471232  1.130570      40.28146       20.32360  7.154497       19.39372      1.978330       2.261140  
1 1 1 -37 3  8  o 4.345784  1.165390      38.95397       21.26852  5.429370       22.06569      1.733058       2.330780  
1 1 1 -37 3  9  o 3.768227  1.201488      13.53694       23.26178  1.412015       33.23910      0.4582372E-01  2.402976  
1 1 1 -37 3  10 o 3.453036  1.151556      25.86585       30.84139  -34.18464      32.74623      1.176663       2.303112  
1 1 1 -37 3  11 o 4.497121  1.360189      16.76671       31.23198  85.01682       36.45654      -2.018321      2.720377  
1 1 1 -37 3  12 o 5.315441  1.551665      72.63383       33.12638  133.0547       44.03430      -0.9740376     3.103330  
1 1 1 -37 5  1  o 18.02827  0.8058914     336.2719       40.53485  368.6311       41.17644      -0.8775020     1.611783  
1 1 1 -37 5  2  o 13.25937  0.7291108     180.9793       26.41462  197.1218       27.86262      -0.5593827     1.458222  
1 1 1 -37 5  3  o 4.124176  1.076467      5.902797       17.24253  28.46017       17.93417      -1.434416      2.152933  
1 1 1 -37 5  4  o 13.67042  0.7851883     198.1177       29.99943  211.6430       30.16958      -0.4907980     1.570377  
1 1 1 -37 5  5  f 3.774552  1.034814      29.30829       18.59067  -7.646782      17.80919      1.976005       2.069627  
1 1 1 -37 5  6  o 4.706660  1.166438      27.01290       19.19857  28.82870       19.17853      -0.1211977     2.332875  
1 1 1 -37 5  7  o 7.353460  1.083956      79.42465       22.62087  57.34853       21.04226      1.367834       2.167912  
1 1 1 -37 5  8  o 4.251435  1.178605      36.56511       21.63204  7.449070       22.75302      1.426762       2.357210  
1 1 1 -37 5  9  o 10.52417  0.9861680     165.8768       27.82819  115.0377       28.45106      2.559828       1.972336  
1 1 1 -37 5  10 f 5.162347  1.188659      70.76496       23.41398  17.88202       23.14971      2.968855       2.377318  
1 1 1 -37 5  11 o 3.562926  1.099906      41.16111       23.80613  -3.899725      23.15810      1.568030       2.199813  
1 1 1 -37 5  12 o 4.521512  1.172079      79.51151       24.62818  10.96429       25.94953      3.030146       2.344157  
1 1 1 -37 7  1  o 3.477848  1.012809      14.06967       15.24902  -1.604424      18.34888      0.6106864      2.025617  
1 1 1 -37 7  2  o 7.043763  0.9755001     61.02444       17.88873  54.14790       19.87908      0.6126817      1.951000  
1 1 1 -37 7  3  o 4.875266  0.9560444     56.00871       18.15688  -12.29464      19.23317      4.039886       1.912089  
1 1 1 -37 7  4  o 4.391371  1.151276      24.12923       18.68261  21.00169       19.41750      0.1839763      2.302552  
1 1 1 -37 7  5  o 5.909128  1.150589      51.49718       20.41506  39.36780       19.45686      0.8404791      2.301177  
1 1 1 -37 7  6  o 8.347320  0.9702522     84.76457       21.92013  84.54622       22.31009      0.4544992E-01  1.940504  
1 1 1 -37 7  7  o 10.89015  0.8889526     163.3142       27.58278  120.2123       25.76707      1.868332       1.777905  
1 1 1 -37 7  8  o 3.386944  1.072632      14.27817       22.04342  -1.622692      20.91262      0.6173782      2.145264  
1 1 1 -37 7  9  o 7.724861  1.163677      108.6129       24.89454  66.60242       25.87233      2.773462       2.327355  
1 1 1 -37 7  10 o 5.036454  1.285441      34.68756       25.00641  66.56827       24.90206      -1.719661      2.570881  
1 1 1 -37 7  11 o 2.883031  0.9845544     0.4985918E-01  24.09129  -4.032773      24.42591      0.7487231E-01  1.969109  
1 1 1 -37 7  12 o 2.962929  1.011121      6.958914       25.10104  12.83844       25.82300      -0.1272337     2.022241  
1 1 1 -37 9  1  o 5.897296  1.038458      48.40605       16.44995  35.53336       19.31640      1.142065       2.076916  
1 1 1 -37 9  2  o 8.491112  0.8934963     85.03707       19.73114  82.42326       22.07982      0.3199766      1.786993  
1 1 1 -37 9  3  o 4.647595  1.216852      23.28738       22.45640  31.61073       20.54224      -0.4817998     2.433705  
1 1 1 -37 9  4  o 6.027741  1.068310      22.35891       20.19464  70.51144       20.17809      -3.325346      2.136621  
1 1 1 -37 9  5  o 7.943265  1.022349      87.54797       22.38892  70.39346       21.77431      1.046331       2.044698  
1 1 1 -37 9  6  o 3.535956  1.043617      28.29055       19.72534  -12.26589      20.35574      1.676262       2.087234  
1 1 1 -37 9  7  o 8.236467  1.099480      96.64016       25.32470  89.60657       24.05426      0.2773790      2.198960  
1 1 1 -37 9  8  o 2.896210  0.9759265     5.465788       23.47671  -20.80826      21.75224      0.7205001      1.951853  
1 1 1 -37 9  9  o 5.477169  1.211768      88.16135       25.19086  22.04696       26.34425      3.560980       2.423536  
1 1 1 -37 9  10 o 2.614575  0.9145365     -10.29991      25.49524  -25.96603      24.40324      0.2898217      1.829073  
1 1 1 -37 9  11 o 2.756678  0.9567711     3.666172       25.81118  -8.966663      25.43836      0.2237890      1.913542  
1 1 1 -37 11 1  o 2.690391  0.8997600     -5.301734      16.51324  -22.70860      20.60379      0.1629740      1.799520  
1 1 1 -37 11 2  f 5.643517  1.143257      26.31278       18.90570  63.15366       21.63448      -2.426564      2.286515  
1 1 1 -37 11 3  o 12.86350  0.8793946     158.7656       30.63734  237.6376       31.45535      -3.050040      1.758789  
1 1 1 -37 11 4  o 3.813494  0.9983425     -32.38765      20.24493  46.54651       20.80493      -3.252929      1.996685  
1 1 1 -37 11 5  o 2.777249  0.9241715     10.73089       21.46985  -37.97001      20.89606      1.240490       1.848343  
1 1 1 -37 11 6  o 2.332288  0.8210331     -24.18055      21.52237  -46.07528      21.33788      0.3513962      1.642066  
1 1 1 -37 11 7  o 3.161565  1.022678      -22.65262      23.78312  24.98648       22.44249      -1.288608      2.045356  
1 1 1 -37 11 8  o 3.379927  1.099944      23.22793       25.18169  5.759457       23.66755      0.5328985      2.199888  
1 1 1 -37 11 9  o 2.635127  0.9173229     -38.72622      25.64472  6.805405       24.43201      -0.6954468     1.834646  
1 1 1 -37 11 10 o 2.796176  0.9704674     -12.66968      27.52009  11.63847       25.76268      -0.3701178     1.940935  
1 1 1 -37 13 1  o 3.685010  1.093871      5.916774       17.79723  31.26258       22.55256      -1.248893      2.187742  
1 1 1 -37 13 2  o 4.859938  1.096398      56.38177       19.20838  8.002406       23.41472      2.848273       2.192797  
1 1 1 -37 13 3  o 7.371034  1.269816      81.45243       26.26257  91.67319       26.28470      -0.6524400     2.539632  
1 1 1 -37 13 4  o 3.571822  1.118930      -5.348502      25.74363  30.79009       22.96061      -1.135650      2.237859  
1 1 1 -37 13 5  o 2.831903  0.9609296     4.513622       22.44574  -20.70188      22.89534      0.5492138      1.921859  
1 1 1 -37 13 6  o 3.969527  1.183749      21.39182       23.65716  40.05935       23.01329      -0.8053408     2.367498  
1 1 1 -37 13 7  o 3.434511  1.107945      41.23543       25.95725  1.800199       24.73251      1.145331       2.215891  
1 1 1 -37 13 8  o 3.595866  1.162627      31.37996       27.53663  34.98258       25.62396      -0.1543747     2.325253  
1 1 1 -37 15 1  o 3.507868  1.118480      24.05748       23.04862  13.04429       24.32397      0.3584355      2.236959  
1 1 1 -37 15 2  o 3.026282  1.009440      4.489449       19.96259  3.428030       25.69987      -0.1310156     2.018881  
1 1 1 -37 15 3  o 3.270029  1.077464      24.53889       25.04234  2.501693       24.35918      0.6034743      2.154927  
1 1 1 -37 15 4  o 2.899970  0.9921154     -13.08491      25.11192  12.03771       25.23224      -0.5064316     1.984231  
1 1 1 -37 15 5  o 2.807094  0.9673300     11.37847       24.71351  -16.19664      25.68569      0.4858098      1.934660  
1 1 1 -37 15 6  o 2.728945  0.9434798     -24.90228      25.49397  20.56112       25.03141      -0.7861277     1.886960  
1 1 1 -37 17 1  o 2.730395  0.9501542     -5.369329      23.38379  7.726661       28.18399      -0.3038352     1.900308  
1 1 1 -37 17 2  o 3.113392  1.046331      30.95699       22.67351  1.026944       33.00494      0.6221167      2.092662  
1 1 1 -37 17 3  o 3.577169  1.168040      31.17509       27.21517  59.29818       28.84858      -0.6838770     2.336080  
1 1 1 -36 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -36 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -36 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -36 0  4  o 3.453270  1.928058      18.52987       19.86623  18.52987       19.86623      ?              ?         
1 1 1 -36 0  5  o 2.598675  1.601596      6.842023       16.25517  6.842023       16.25517      ?              ?         
1 1 1 -36 0  6  o 14.20715  1.013422      211.2380       28.45248  211.2380       28.45248      ?              ?         
1 1 1 -36 0  7  o 3.661266  1.935641      22.57614       18.95770  22.57614       18.95770      ?              ?         
1 1 1 -36 0  8  o 13.09497  1.095471      183.5238       28.21149  183.5238       28.21149      ?              ?         
1 1 1 -36 0  9  o 2.429609  1.595647      1.367787       19.51858  1.367787       19.51858      ?              ?         
1 1 1 -36 0  10 o 2.896021  1.785663      12.50872       20.22787  12.50872       20.22787      ?              ?         
1 1 1 -36 0  11 o 4.092892  2.067133      33.04385       20.96880  33.04385       20.96880      ?              ?         
1 1 1 -36 0  12 o 2.906810  1.802588      16.24608       20.89982  16.24608       20.89982      ?              ?         
1 1 1 -36 0  13 o 4.155627  2.147403      41.45889       22.94309  41.45889       22.94309      ?              ?         
1 1 1 -36 2  1  o 19.97987  0.8608467     393.7936       48.16561  457.0776       48.50667      -1.582729      1.721693  
1 1 1 -36 2  2  o 17.07681  0.7785860     306.0124       37.03773  311.1009       37.78290      -0.1297981     1.557172  
1 1 1 -36 2  3  o 3.723393  1.017836      16.09566       15.18023  5.844820       15.85645      0.6107585      2.035671  
1 1 1 -36 2  4  o 15.82838  0.9992083     290.4953       40.85495  259.5523       48.36888      1.292198       1.998417  
1 1 1 -36 2  5  o 12.22916  1.061968      198.4158       38.08923  142.4775       33.51058      2.112053       2.123937  
1 1 1 -36 2  6  o 3.497289  1.107139      10.23712       23.63317  -18.75973      23.52704      0.9743831      2.214278  
1 1 1 -36 2  7  o 3.155979  1.052872      -16.62794      24.41166  -17.23364      24.60213      0.1796665E-02  2.105745  
1 1 1 -36 2  8  f 3.173336  1.059054      4.822540       25.45480  -57.93351      29.62758      1.069421       2.118108  
1 1 1 -36 2  9  o 3.566418  1.154451      16.25521       26.12471  -31.30791      30.57561      1.018214       2.308903  
1 1 1 -36 2  10 o 4.587573  1.325076      46.77369       27.71611  10.06760       31.05270      1.422602       2.650153  
1 1 1 -36 2  11 o 4.108078  1.290015      17.69243       27.40919  32.97355       32.91772      -0.5108945     2.580030  
1 1 1 -36 2  12 o 2.727971  0.9617181     -42.44351      27.69940  -19.65916      31.52981      -0.4574918     1.923436  
1 1 1 -36 2  13 o 4.356945  1.327307      77.42500       31.00158  31.36957       35.31443      1.608510       2.654614  
1 1 1 -36 4  1  o 7.605669  0.8105798     38.63387       15.80470  87.19804       16.83339      -3.252534      1.621160  
1 1 1 -36 4  2  o 3.759454  1.038002      9.515049       16.37881  13.15017       15.64194      -0.1821863     2.076005  
1 1 1 -36 4  3  o 17.65247  0.8174999     356.2808       40.58176  310.7274       40.48143      1.294960       1.635000  
1 1 1 -36 4  4  o 14.57246  0.7333506     216.4304       29.77588  235.2961       30.24776      -0.6362393     1.466701  
1 1 1 -36 4  5  o 9.487711  0.7621937     89.78438       20.48952  103.7728       19.62282      -0.7856078     1.524387  
1 1 1 -36 4  6  o 8.853058  0.8093106     75.00053       19.68229  96.57263       19.65575      -1.250797      1.618621  
1 1 1 -36 4  7  o 4.415450  1.129422      28.55528       18.75411  16.79794       17.96926      0.7791730      2.258844  
1 1 1 -36 4  8  o 4.311963  1.140308      31.65267       19.47560  11.21359       19.60879      1.199472       2.280615  
1 1 1 -36 4  9  o 4.093508  1.136612      8.719222       19.78461  30.41583       20.33748      -1.172995      2.273224  
1 1 1 -36 4  10 o 7.190739  1.117311      61.36214       22.13736  78.58065       22.24442      -1.166521      2.234623  
1 1 1 -36 4  11 o 4.484443  1.209360      31.05006       20.95039  35.11919       21.67992      -0.2055550     2.418720  
1 1 1 -36 4  12 o 3.120842  1.014566      16.30283       20.99571  -3.224106      20.92371      0.6189946      2.029132  
1 1 1 -36 4  13 o 4.191086  1.203449      55.48579       23.06855  27.29209       24.96694      1.354384       2.406899  
1 1 1 -36 6  1  o 5.657712  0.9922118     40.05139       14.91052  31.67756       17.49176      0.7511931      1.984424  
1 1 1 -36 6  2  o 5.306550  0.9599125     47.35184       15.36469  13.09173       16.95019      2.644707       1.919825  
1 1 1 -36 6  3  o 12.50904  0.7154444     145.2821       24.65781  187.6652       25.29357      -1.690185      1.430889  
1 1 1 -36 6  4  o 7.826875  0.8770685     78.28593       18.36595  56.37172       19.01297      1.478107       1.754137  
1 1 1 -36 6  5  o 8.307077  0.8509526     83.97989       19.87193  70.03858       18.86064      0.8067486      1.701905  
1 1 1 -36 6  6  o 5.763381  1.067512      26.31298       18.51713  53.51256       18.36020      -2.042649      2.135024  
1 1 1 -36 6  7  o 7.371500  1.014859      82.06604       21.02469  48.28022       19.92281      2.236218       2.029717  
1 1 1 -36 6  8  o 4.460350  1.188530      20.00984       20.03163  31.43436       21.19301      -0.6712016     2.377059  
1 1 1 -36 6  9  f 4.751838  1.117676      4.698490       20.56032  54.75516       21.18938      -2.883252      2.235353  
1 1 1 -36 6  10 o 6.511857  1.201685      53.62260       23.04467  72.71932       22.47778      -1.372709      2.403369  
1 1 1 -36 6  11 o 4.406803  1.206817      28.62197       21.27240  40.48133       21.97976      -0.6160075     2.413635  
1 1 1 -36 6  12 f 3.614671  1.109083      37.49395       21.82846  7.024508       23.38111      1.151639       2.218166  
1 1 1 -36 6  13 o 2.975919  0.9937578     31.42508       23.35812  -12.92362      24.25281      1.037919       1.987516  
1 1 1 -36 8  1  o 7.335296  0.8364869     55.68106       15.72503  64.69236       17.95689      -0.5164724     1.672974  
1 1 1 -36 8  2  o 3.218021  0.9652271     13.42190       15.58600  -12.54376      17.64810      1.035454       1.930454  
1 1 1 -36 8  3  o 5.866996  1.051132      46.29684       17.03716  34.95616       18.46142      0.9408001      2.102265  
1 1 1 -36 8  4  o 7.471235  0.9454351     58.51192       19.96569  69.53352       18.63537      -0.8363192     1.890870  
1 1 1 -36 8  5  o 8.399741  0.8798398     69.29541       20.76858  90.02702       19.62298      -1.346238      1.759680  
1 1 1 -36 8  6  o 2.683470  0.8977113     -16.18607      17.98580  -11.29901      18.13993      -0.1527191     1.795423  
1 1 1 -36 8  7  o 6.691082  1.034693      27.70417       21.32671  85.64764       20.36821      -3.956471      2.069387  
1 1 1 -36 8  8  f 11.84960  0.8541875     170.5394       28.88175  164.5085       27.61516      0.1536788      1.708375  
1 1 1 -36 8  9  o 2.882208  0.9672685     -13.81798      21.22470  -4.822399      21.41852      -0.2425223     1.934537  
1 1 1 -36 8  10 o 4.694809  1.250039      37.75568       22.96392  41.46701       22.31430      -0.2421339     2.500078  
1 1 1 -36 8  11 o 5.473341  1.275235      46.75025       23.07763  72.29064       24.06135      -1.462781      2.550470  
1 1 1 -36 8  12 o 5.263766  1.198976      94.35149       24.64520  30.30927       26.16699      3.449574       2.397952  
1 1 1 -36 10 1  o 5.794753  1.034887      33.28487       15.64677  49.66946       18.52968      -1.159327      2.069774  
1 1 1 -36 10 2  o 11.94337  0.7424964     159.6656       24.08468  154.2277       25.62750      0.3063844      1.484993  
1 1 1 -36 10 3  o 4.816539  1.077266      47.01302       18.69563  6.388406       19.37693      2.606352       2.154533  
1 1 1 -36 10 4  o 5.857167  1.045547      22.16194       19.01180  62.82499       18.83704      -2.938027      2.091094  
1 1 1 -36 10 5  f 4.388297  1.100953      8.191619       19.33045  37.47941       18.37075      -1.779123      2.201905  
1 1 1 -36 10 6  o 4.125533  1.147221      26.14471       20.14227  16.36262       19.39058      0.5506185      2.294441  
1 1 1 -36 10 7  o 4.036348  1.157307      20.81434       21.06250  21.24355       20.13679      -0.1295447E-01 2.314614  
1 1 1 -36 10 8  o 7.440358  1.131449      78.78198       23.59761  79.37703       22.65821      -0.1612234     2.262899  
1 1 1 -36 10 9  o 4.126767  1.196575      17.81763       22.63884  41.84887       23.54978      -1.080834      2.393149  
1 1 1 -36 10 10 o 2.850564  0.9715917     -10.10997      24.11246  -0.7366681     22.74556      -0.1505681     1.943183  
1 1 1 -36 10 11 o 4.210269  1.229952      34.42395       24.19075  56.59575       24.67296      -0.9383038     2.459903  
1 1 1 -36 12 1  o 9.355844  0.8822550     130.1683       20.19487  73.19337       23.23806      3.380633       1.764510  
1 1 1 -36 12 2  o 4.753655  1.157635      32.27635       17.58055  28.42668       20.82466      0.3239568      2.315269  
1 1 1 -36 12 3  o 3.784575  1.135547      8.335876       19.87469  20.39338       22.79894      -0.6267506     2.271094  
1 1 1 -36 12 4  o 3.527775  1.065327      1.204788       19.40592  19.16023       19.33668      -0.7968025     2.130655  
1 1 1 -36 12 5  o 8.651126  1.009095      56.54168       22.80178  139.0229       23.48669      -4.767300      2.018189  
1 1 1 -36 12 6  o 4.069088  1.170265      23.26937       21.40672  24.84442       20.86809      -0.8024653E-01 2.340531  
1 1 1 -36 12 7  o 5.197196  1.110468      8.576349       23.29598  74.04865       22.03928      -3.682974      2.220936  
1 1 1 -36 12 8  o 2.664047  0.9186690     -4.943756      23.19650  -23.64260      21.96955      0.4277524      1.837338  
1 1 1 -36 12 9  o 2.702745  0.9340183     -13.92119      24.56970  -7.478802      22.82084      -0.5286199E-01 1.868037  
1 1 1 -36 12 10 o 2.808943  0.9708095     20.61813       27.63458  -16.95836      24.28992      0.7448661      1.941619  
1 1 1 -36 14 1  o 10.40734  0.8487532     107.7429       22.58135  159.6030       26.14126      -2.181957      1.697506  
1 1 1 -36 14 2  f 3.226287  1.018628      -2.805671      17.59655  18.08435       21.62853      -0.9606823     2.037256  
1 1 1 -36 14 3  o 3.803034  1.050032      -19.83467      22.06778  45.22364       21.05258      -2.614991      2.100063  
1 1 1 -36 14 4  o 2.643847  0.9087384     -5.401987      22.24621  -28.18361      21.27286      0.5271545      1.817477  
1 1 1 -36 14 5  o 3.634281  1.117289      8.575187       21.80650  29.15937       22.18674      -0.8148321     2.234579  
1 1 1 -36 14 6  o 3.214548  1.000649      38.66592       22.60390  -27.30432      22.10297      1.993791       2.001298  
1 1 1 -36 14 7  o 3.283770  1.069751      0.7326609E-01  24.11393  28.71566       23.65018      -0.8208886     2.139501  
1 1 1 -36 14 8  o 2.499095  0.8802342     -14.35313      25.60727  -24.26442      23.75915      0.2094021      1.760468  
1 1 1 -36 16 1  o 2.900467  0.9736851     5.121157       20.03185  -9.677082      24.05345      0.2154665      1.947370  
1 1 1 -36 16 2  o 3.449057  1.097005      15.01458       18.95324  23.00153       27.12358      -0.2946022     2.194010  
1 1 1 -36 16 3  o 2.674300  0.9251256     -26.84445      23.09579  3.380714       24.26280      -0.6066568     1.850251  
1 1 1 -36 16 4  o 3.610941  1.138682      30.99571       23.18105  21.37720       24.42086      0.3526900      2.277364  
1 1 1 -36 16 5  o 3.793521  1.180914      28.31199       24.15065  43.65646       25.36639      -0.5065369     2.361828  
1 1 1 -36 16 6  o 2.795635  0.9647252     -10.84620      24.85965  14.93679       25.40664      -0.4855718     1.929450  
1 1 1 -36 18 1  o 3.189023  1.063460      11.49491       22.58068  40.86556       27.87196      -0.6690356     2.126920  
1 1 1 -36 18 2  o 3.096783  1.035521      10.01612       22.08393  34.89287       26.20761      -0.5885447     2.071042  
1 1 1 -36 18 3  o 3.207725  1.078295      14.39634       26.12831  45.87331       27.97052      -0.6765307     2.156590  
1 1 1 -35 1  1  o 11.62269  0.8836519     154.2033       28.59560  132.3771       28.45555      0.9495944      1.767304  
1 1 1 -35 1  2  o 10.23516  1.322280      153.5853       36.33129  82.73059       37.79549      3.571850       2.644559  
1 1 1 -35 1  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 1  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 1  5  o 8.550702  1.073548      117.0900       26.80733  49.54406       22.89001      3.861737       2.147096  
1 1 1 -35 1  6  o 3.558245  1.098982      -4.209695      20.98490  5.371578       21.11981      -0.3952046     2.197963  
1 1 1 -35 1  7  o 9.026946  1.161821      98.86447       27.07224  91.91386       30.50072      0.5816426      2.323641  
1 1 1 -35 1  8  f 5.857831  1.254607      63.06170       23.82472  16.15247       27.89973      2.704126       2.509214  
1 1 1 -35 1  9  o 11.31716  0.8592120     150.1156       29.99260  141.2823       24.86668      0.1057692      1.718424  
1 1 1 -35 1  10 o 3.311020  1.004356      -10.73311      18.32808  17.80119       18.29702      -1.226000      2.008712  
1 1 1 -35 1  11 o 4.851127  1.135848      26.76935       18.68977  38.24759       18.20559      -0.8262621     2.271697  
1 1 1 -35 1  12 o 3.112280  0.9922238     -2.950358      18.59703  10.20952       18.80450      -0.4993929     1.984448  
1 1 1 -35 1  13 o 3.259836  1.036615      18.36622       20.24381  2.109035       20.50431      0.5764747      2.073229  
1 1 1 -35 1  14 o 5.552955  1.223219      82.24326       23.04930  44.86160       23.09280      2.332042       2.446438  
1 1 1 -35 3  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 3  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 3  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 3  4  o 3.199274  1.049192      -16.98395      19.16035  -8.124505      27.80557      -0.9532980     2.098385  
1 1 1 -35 3  5  o 15.61220  0.7256891     247.4049       32.22340  265.3105       31.49429      -0.5958022     1.451378  
1 1 1 -35 3  6  o 11.09304  0.6803651     141.5528       21.15824  117.4718       20.99370      1.092339       1.360730  
1 1 1 -35 3  7  o 13.10113  0.7214934     175.8971       26.84742  190.4923       26.17959      -0.5844949     1.442987  
1 1 1 -35 3  8  o 3.028522  0.9567726     6.931256       17.21349  -15.61832      17.92756      0.8134176      1.913545  
1 1 1 -35 3  9  o 2.983013  0.9991976     -20.21727      18.79252  -6.127911      28.22779      -1.012545      1.998395  
1 1 1 -35 3  10 o 3.987636  1.192712      -13.35304      24.73130  39.70814       28.11800      -2.035193      2.385424  
1 1 1 -35 3  11 o 4.110656  1.264617      19.11139       24.83888  20.77047       30.70162      -0.1524446     2.529234  
1 1 1 -35 3  12 o 3.621164  1.174493      12.48431       25.40362  9.908267       29.55907      -0.1785003E-01 2.348986  
1 1 1 -35 3  13 o 3.146480  1.072413      5.778924       26.71756  -9.568146      30.88934      0.1857896      2.144826  
1 1 1 -35 3  14 o 2.975851  1.034550      15.14690       28.85980  -18.70124      33.34810      0.4262309      2.069100  
1 1 1 -35 5  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 5  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -35 5  3  o 3.701938  0.9962785     15.21983       14.43358  7.713564       14.76100      0.4898894      1.992557  
1 1 1 -35 5  4  o 3.622615  1.000635      5.966303       14.73250  14.58208       15.30163      -0.5900066     2.001271  
1 1 1 -35 5  5  f 3.761196  1.000594      21.49131       15.79975  3.690508       14.58062      1.246591       2.001189  
1 1 1 -35 5  6  o 11.05941  0.7022367     112.0882       21.88811  147.0045       21.29609      -1.621738      1.404473  
1 1 1 -35 5  7  o 5.667315  1.070402      36.28909       17.87731  40.53914       17.19589      -0.3591311     2.140804  
1 1 1 -35 5  8  o 4.990446  1.055161      48.41542       18.27676  9.339533       18.16972      2.689821       2.110323  
1 1 1 -35 5  9  o 7.875212  0.9506831     77.30621       20.23847  70.09724       20.57400      0.4935519      1.901366  
1 1 1 -35 5  10 o 3.287225  1.016485      17.12015       19.47534  -9.010951      18.68126      1.100086       2.032971  
1 1 1 -35 5  11 o 6.472396  1.121734      63.62008       19.97770  53.43476       21.15639      0.8613166      2.243468  
1 1 1 -35 5  12 o 2.414610  0.8337752     -42.11950      19.49951  -2.043447      20.37344      -0.8511940     1.667550  
1 1 1 -35 5  13 o 4.765834  1.234031      47.10422       21.55066  45.32576       21.93422      0.1418863      2.468061  
1 1 1 -35 7  1  o 10.69722  0.6546770     117.2114       19.01654  122.8149       20.26210      -0.2311200     1.309354  
1 1 1 -35 7  2  o 5.557570  0.9734382     33.12352       14.55122  37.04250       15.95920      -0.2921019     1.946876  
1 1 1 -35 7  3  o 12.24389  0.6884615     136.3952       23.22175  179.2784       23.81246      -1.751935      1.376923  
1 1 1 -35 7  4  o 4.711678  0.9854315     40.83923       15.72500  2.757311       17.47684      2.630365       1.970863  
1 1 1 -35 7  5  o 5.022528  0.9861842     10.24349       16.86795  44.33256       15.83960      -2.554017      1.972368  
1 1 1 -35 7  6  o 6.264988  1.023709      47.25922       18.33646  45.70513       17.26383      0.6620141E-01  2.047418  
1 1 1 -35 7  7  o 3.368582  1.022200      5.502931       18.01550  4.239603       16.94486      0.1307862      2.044399  
1 1 1 -35 7  8  o 4.757654  1.160916      34.38471       18.48661  22.16373       20.47315      0.8133108      2.321833  
1 1 1 -35 7  9  o 5.995829  1.142980      40.22805       19.87932  56.07729       20.21266      -1.137833      2.285961  
1 1 1 -35 7  10 o 4.557526  1.167123      22.11530       20.26911  37.29991       19.51288      -0.9517009     2.334246  
1 1 1 -35 7  11 o 4.726041  1.073690      58.88112       19.94115  4.156658       20.89042      3.143739       2.147381  
1 1 1 -35 7  12 o 3.435146  1.058799      26.67721       19.42222  2.758559       21.56209      0.9089482      2.117598  
1 1 1 -35 7  13 o 3.130391  1.008905      34.24152       21.93193  -10.88676      22.50963      1.314732       2.017810  
1 1 1 -35 9  1  o 2.744593  0.8746557     -3.126465      13.14173  -6.260300      15.70721      -0.1227218     1.749311  
1 1 1 -35 9  2  o 11.62007  0.6908575     126.1009       21.62535  161.5898       23.22648      -1.486891      1.381715  
1 1 1 -35 9  3  o 2.997183  0.9396369     2.867597       15.20734  -8.027909      16.95412      0.3125775      1.879274  
1 1 1 -35 9  4  o 5.782066  1.031492      37.87138       17.14554  41.50780       16.64824      -0.3127629     2.062983  
1 1 1 -35 9  5  o 3.780547  1.013706      -2.603085      17.07965  25.82717       16.25359      -1.616782      2.027411  
1 1 1 -35 9  6  o 4.109449  1.095406      12.53156       18.34523  23.76275       17.10387      -0.6625108     2.190811  
1 1 1 -35 9  7  o 5.914581  1.071321      26.77584       19.27350  61.00098       19.09404      -2.496919      2.142642  
1 1 1 -35 9  8  o 5.380427  1.171838      43.96278       19.89191  36.28419       19.40721      0.5282819      2.343676  
1 1 1 -35 9  9  o 3.182999  1.017828      6.853082       19.48621  -2.898239      19.97787      0.3225954      2.035655  
1 1 1 -35 9  10 o 3.675845  1.093651      4.306952       20.02813  29.69127       20.70539      -1.145483      2.187301  
1 1 1 -35 9  11 o 3.410918  1.072815      14.25993       20.26558  14.65193       21.37563      -0.3098702E-01 2.145630  
1 1 1 -35 9  12 o 3.040744  0.9757082     32.98050       21.09369  -25.03700      23.13861      1.542532       1.951416  
1 1 1 -35 9  13 o 2.745971  0.9374447     24.01245       23.20279  -17.32665      23.06757      0.8577138      1.874889  
1 1 1 -35 11 1  o 6.619014  0.9123353     45.45520       15.06719  57.12514       18.13361      -0.7063538     1.824671  
1 1 1 -35 11 2  o 8.851563  0.7917852     87.66348       18.46682  86.72547       20.43686      0.1593360      1.583570  
1 1 1 -35 11 3  o 3.822749  1.081630      9.905858       17.26880  17.61804       18.39692      -0.4828061     2.163260  
1 1 1 -35 11 4  o 8.720136  0.8507885     103.6951       20.37131  68.68749       19.89791      2.039503       1.701577  
1 1 1 -35 11 5  o 3.261854  0.9951378     -8.661751      18.03504  14.89219       17.48520      -0.9934577     1.990276  
1 1 1 -35 11 6  o 5.006536  1.111790      49.41911       19.48921  17.32014       18.35818      2.177429       2.223580  
1 1 1 -35 11 7  o 2.759428  0.9266651     -13.72731      20.29822  -11.07143      18.92149      0.2601435E-01  1.853330  
1 1 1 -35 11 8  o 5.754818  1.186250      60.24703       21.40817  39.43303       20.33065      1.374369       2.372500  
1 1 1 -35 11 9  o 4.997778  1.253727      49.37886       22.31803  38.19785       22.58521      0.6926581      2.507454  
1 1 1 -35 11 10 o 2.839165  0.9563684     1.288570       21.41725  -8.339191      21.04859      0.2567201      1.912737  
1 1 1 -35 11 11 o 2.877758  0.9686245     17.17602       22.12697  -13.85815      22.82825      0.7218781      1.937249  
1 1 1 -35 11 12 o 3.183350  1.052486      25.60132       22.56176  16.63159       25.08752      0.2618738      2.104972  
1 1 1 -35 13 1  o 6.440736  1.004597      43.38115       16.13108  61.51002       19.73624      -1.099847      2.009194  
1 1 1 -35 13 2  o 4.888346  1.052084      11.11556       16.00415  52.38317       19.40597      -2.843678      2.104168  
1 1 1 -35 13 3  o 3.888013  1.109749      6.692584       20.17503  24.76202       18.93724      -0.8881079     2.219498  
1 1 1 -35 13 4  o 10.93121  0.8425956     106.7487       24.83631  174.2090       24.93542      -3.149784      1.685191  
1 1 1 -35 13 5  o 15.07092  0.8671998     287.3895       36.98650  261.7956       36.24659      0.7912416      1.734400  
1 1 1 -35 13 6  o 3.655746  1.092785      23.61649       20.15181  6.723864       19.66824      0.7821003      2.185569  
1 1 1 -35 13 7  o 3.038421  0.9606594     25.77751       21.00377  -28.69170      20.14857      1.721042       1.921319  
1 1 1 -35 13 8  o 2.921900  0.9752539     4.923070       21.55121  -7.899737      20.80369      0.3766462      1.950508  
1 1 1 -35 13 9  o 3.858293  1.165762      34.54509       23.67662  25.30243       21.52147      0.3307991      2.331524  
1 1 1 -35 13 10 f 3.586581  1.134271      22.56313       23.97158  36.43463       23.70852      -0.4807431     2.268541  
1 1 1 -35 15 1  o 9.957640  0.8754565     138.6328       22.65186  103.2773       24.99931      2.072391       1.750913  
1 1 1 -35 15 2  o 5.469502  1.165665      30.89915       17.91843  63.38786       22.41454      -1.927019      2.331330  
1 1 1 -35 15 3  o 4.104215  1.164958      36.04067       21.72762  15.47900       20.81114      1.025700       2.329916  
1 1 1 -35 15 4  o 3.920057  1.151918      18.72358       21.31458  27.44514       21.06198      -0.4105476     2.303835  
1 1 1 -35 15 5  o 4.780971  1.221668      33.37915       21.47744  48.98374       21.69882      -0.9195120     2.443336  
1 1 1 -35 15 6  o 3.429810  1.062058      32.19489       21.41546  -0.9239266     21.04446      1.243861       2.124116  
1 1 1 -35 15 7  o 2.635880  0.9064589     -34.67375      23.42309  8.109556       21.98193      -0.7620005     1.812918  
1 1 1 -35 15 8  o 3.757520  1.117742      63.53823       25.15094  3.033739       22.76804      2.146754       2.235485  
1 1 1 -35 15 9  o 2.736687  0.9381195     -25.69833      25.77166  24.46749       23.13549      -0.8812807     1.876239  
1 1 1 -35 17 1  o 7.094458  1.181656      75.00651       21.54707  94.23502       25.43402      -0.5920715     2.363312  
1 1 1 -35 17 2  o 3.798798  1.138748      23.65681       19.96436  30.57740       22.59047      -0.2483754     2.277495  
1 1 1 -35 17 3  f 2.824129  0.9520383     -19.29304      21.51461  16.88861       22.82084      -0.9046513     1.904077  
1 1 1 -35 17 4  o 5.150771  1.292720      71.40615       24.22850  49.92180       24.59079      1.265205       2.585439  
1 1 1 -35 17 5  o 3.634367  1.143723      28.32163       23.18309  32.94674       24.19841      -0.1342371     2.287446  
1 1 1 -35 17 6  o 3.333906  1.076148      44.97197       24.03644  4.686553       25.00452      1.168044       2.152296  
1 1 1 -35 19 1  o 2.629364  0.9110312     -23.94206      21.70993  30.52243       27.18953      -1.063488      1.822062  
1 1 1 -35 19 2  o 2.718743  0.9474636     -10.92770      25.46066  17.52966       26.63321      -0.4783638     1.894927  
1 1 1 -35 19 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 0  4  o 9.826591  1.468321      105.8492       26.96061  105.8492       26.96061      ?              ?         
1 1 1 -34 0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 0  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 0  7  o 3.946904  1.786158      23.94056       15.18187  23.94056       15.18187      ?              ?         
1 1 1 -34 0  8  o 11.00702  1.004522      127.4182       21.66813  127.4182       21.66813      ?              ?         
1 1 1 -34 0  9  o 11.56444  1.027803      141.4802       23.31992  141.4802       23.31992      ?              ?         
1 1 1 -34 0  10 o 2.666113  1.631532      8.719851       16.59467  8.719851       16.59467      ?              ?         
1 1 1 -34 0  11 f 5.722123  1.742664      44.60513       17.41146  44.60513       17.41146      ?              ?         
1 1 1 -34 0  12 o 3.674851  1.888737      24.87128       17.68637  24.87128       17.68637      ?              ?         
1 1 1 -34 0  13 o 3.375145  1.861937      22.79889       18.27002  22.79889       18.27002      ?              ?         
1 1 1 -34 0  14 o 3.859749  1.996380      32.68295       19.84197  32.68295       19.84197      ?              ?         
1 1 1 -34 0  15 o 5.193240  2.158974      56.18706       22.35551  56.18706       22.35551      ?              ?         
1 1 1 -34 2  1  o 4.561152  0.9028043     21.48751       11.34053  23.63797       13.00274      -0.2101455     1.805609  
1 1 1 -34 2  2  o 13.80477  0.6430272     215.8598       24.52286  175.0732       25.25115      1.500714       1.286054  
1 1 1 -34 2  3  o 8.946153  0.6512672     99.17872       15.95540  65.97382       16.04987      1.894798       1.302534  
1 1 1 -34 2  4  o 8.185931  0.8562785     69.22381       18.21044  74.52036       20.42584      -0.2636962     1.712557  
1 1 1 -34 2  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 2  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 2  7  o 10.96289  1.006063      123.0191       28.65686  145.0754       32.44975      -0.8691335     2.012127  
1 1 1 -34 2  8  o 3.814800  1.155570      5.125901       20.40073  6.503766       24.37673      -0.3017235     2.311141  
1 1 1 -34 2  9  o 7.366794  1.252789      67.16420       24.35216  69.12612       27.58291      0.5642943E-01  2.505578  
1 1 1 -34 2  10 o 7.073097  1.299983      62.69778       24.11084  71.85214       28.99059      -0.2687857     2.599966  
1 1 1 -34 2  11 o 6.684115  1.269758      79.32661       24.86168  43.11574       27.82499      2.421688       2.539517  
1 1 1 -34 2  12 o 3.084750  1.035177      -9.969416      22.74420  -10.59205      26.09227      -0.1648099     2.070354  
1 1 1 -34 2  13 o 2.900811  1.000530      -21.59304      25.30087  -13.75127      28.12515      -0.2700157     2.001060  
1 1 1 -34 2  14 o 3.861485  1.153773      31.52320       23.05953  24.31448       20.39055      0.2595306      2.307547  
1 1 1 -34 4  1  o 2.154279  0.7153714     -8.095439      11.22746  -13.88109      11.04320      0.2464665      1.430743  
1 1 1 -34 4  2  o 26.79453  1.110730      762.2871       83.53350  793.4175       84.05882      -0.5689368     2.221460  
1 1 1 -34 4  3  o 5.723816  0.8534548     40.04531       13.32140  30.17788       13.54095      0.8642314      1.706910  
1 1 1 -34 4  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 4  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 4  6  o 5.375084  0.9821017     30.39340       15.83522  34.23071       14.46337      -0.3512162     1.964203  
1 1 1 -34 4  7  o 5.534911  1.002728      47.06512       16.17827  20.14854       17.46681      2.108437       2.005457  
1 1 1 -34 4  8  o 6.760019  0.9324037     40.29190       16.92884  62.22387       17.50940      -1.614356      1.864807  
1 1 1 -34 4  9  o 4.347785  1.063364      11.31989       16.70469  30.79318       16.71888      -1.354259      2.126728  
1 1 1 -34 4  10 o 3.832526  1.058815      17.63979       16.28300  11.97135       17.17175      0.3119477      2.117631  
1 1 1 -34 4  11 f 2.244814  0.7768269     -13.11385      16.41930  -40.57936      17.51744      0.4858767      1.553654  
1 1 1 -34 4  12 o 3.000433  0.9587825     7.646881       17.39432  -6.419700      17.93459      0.4965725      1.917565  
1 1 1 -34 4  13 o 3.876132  1.092596      34.81813       18.99597  9.254522       19.72725      1.314177       2.185192  
1 1 1 -34 4  14 o 4.074074  1.247077      29.80849       22.65442  53.63239       31.34770      -0.5305406     2.494155  
1 1 1 -34 6  1  o 7.817046  1.093758      91.61163       20.56088  34.78354       31.53905      3.579364       2.187515  
1 1 1 -34 6  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 6  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 6  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -34 6  5  o 11.47889  0.6523414     150.7650       21.41120  124.3694       20.49561      1.136701       1.304683  
1 1 1 -34 6  6  o 5.153481  1.008799      33.21970       15.70037  27.61466       14.76352      0.4581587      2.017598  
1 1 1 -34 6  7  o 8.170975  0.7899449     64.62705       18.33050  79.16044       17.14996      -0.9657041     1.579890  
1 1 1 -34 6  8  o 9.084255  0.8004599     107.4181       19.53433  72.52148       20.09075      2.003499       1.600920  
1 1 1 -34 6  9  o 8.809563  0.8354457     97.58331       20.14091  76.53448       20.20714      1.230663       1.670891  
1 1 1 -34 6  10 o 2.407584  0.8237515     -14.61475      17.27174  -27.08221      17.24994      0.3035890      1.647503  
1 1 1 -34 6  11 o 3.755940  1.075113      17.27620       17.24757  14.35917       18.31921      0.1336703      2.150226  
1 1 1 -34 6  12 o 3.115440  0.9789709     17.03343       17.97183  -10.30257      19.10899      0.9771589      1.957942  
1 1 1 -34 6  13 o 3.103582  1.002978      5.113376       19.53771  8.801755       19.81899      -0.1344355     2.005957  
1 1 1 -34 6  14 o 4.267256  1.175776      54.04266       21.63985  27.81425       21.58926      1.350964       2.351552  
1 1 1 -34 8  1  o 5.618731  1.093291      25.82620       17.69251  45.70137       18.87277      -1.500367      2.186583  
1 1 1 -34 8  2  o 7.216065  0.7790491     44.59246       14.41409  67.01630       16.15089      -1.536579      1.558098  
1 1 1 -34 8  3  f 3.709690  0.9839709     16.13451       13.82822  7.738148       14.55746      0.5459425      1.967942  
1 1 1 -34 8  4  o 2.481698  0.8203406     -14.27710      14.53195  -9.437275      14.11967      -0.1236925     1.640681  
1 1 1 -34 8  5  o 5.513485  0.9256334     17.32834       16.00032  48.84155       14.77541      -2.551239      1.851267  
1 1 1 -34 8  6  o 5.290679  1.041389      37.92319       16.81240  28.09600       15.65354      0.7737664      2.082778  
1 1 1 -34 8  7  o 3.290272  0.9698014     15.86413       16.51347  -6.109774      15.57256      1.192437       1.939603  
1 1 1 -34 8  8  o 3.560598  1.025206      -5.827031      17.12537  23.33587       18.59147      -1.549339      2.050412  
1 1 1 -34 8  9  o 5.005362  1.139291      35.59460       18.71664  30.50160       17.97832      0.3500316      2.278581  
1 1 1 -34 8  10 o 3.704881  1.067058      7.166494       17.70930  22.00899       18.31349      -0.8063179     2.134117  
1 1 1 -34 8  11 o 3.020900  0.9229941     23.90478       18.01063  -30.82849      18.92246      1.846718       1.845988  
1 1 1 -34 8  12 o 3.626813  1.056812      3.200889       18.86229  33.50442       19.35880      -1.435431      2.113624  
1 1 1 -34 8  13 o 2.968499  0.9588368     25.24769       19.84329  -15.06595      20.36361      1.218934       1.917674  
1 1 1 -34 8  14 o 2.214929  0.7875485     -30.63111      22.07071  -27.02914      22.15806      -0.4940971E-01 1.575097  
1 1 1 -34 10 1  o 2.667554  0.8366850     5.809681       12.83481  -19.55640      14.78782      0.8740052      1.673370  
1 1 1 -34 10 2  o 8.365289  0.7408251     74.03023       16.53376  76.69101       17.82830      -0.1126501     1.481650  
1 1 1 -34 10 3  o 11.34109  0.7503816     144.5992       25.84617  133.4527       22.14213      0.3598073      1.500763  
1 1 1 -34 10 4  o 4.497334  1.031840      13.50062       16.05317  31.07780       15.41190      -1.318163      2.063680  
1 1 1 -34 10 5  o 10.89988  0.7092186     139.3644       22.10912  116.9888       21.04728      0.9939020      1.418437  
1 1 1 -34 10 6  o 3.464334  1.021241      9.461284       17.18183  6.356527       16.10583      0.2300505      2.042481  
1 1 1 -34 10 7  o 3.361319  1.014509      2.031343       17.58819  9.571644       16.75064      -0.3106168     2.029017  
1 1 1 -34 10 8  o 5.435320  1.086427      53.58693       18.90369  23.36367       18.03734      2.182186       2.172854  
1 1 1 -34 10 9  o 6.647960  1.071135      68.32780       20.16404  48.00903       19.50361      1.418185       2.142270  
1 1 1 -34 10 10 o 3.532892  1.070595      15.80677       18.97507  10.27265       19.37600      0.2387798      2.141189  
1 1 1 -34 10 11 o 3.184745  0.9705616     30.06586       19.11930  -23.98416      20.61032      1.817207       1.941123  
1 1 1 -34 10 12 o 2.916034  0.9656901     12.82188       19.45986  -8.225141      21.68234      0.5177554      1.931380  
1 1 1 -34 10 13 o 2.805413  0.9502256     1.061483       21.21872  8.889458       21.88059      -0.1995629     1.900451  
1 1 1 -34 12 1  o 11.65018  0.6869550     154.3799       21.34609  135.8473       23.59598      0.8967370      1.373910  
1 1 1 -34 12 2  o 7.393148  0.8698857     52.65528       16.60888  71.40606       18.37602      -1.198469      1.739771  
1 1 1 -34 12 3  o 3.441357  1.035183      9.950839       18.35358  2.618786       17.11678      0.4312184      2.070366  
1 1 1 -34 12 4  o 8.014030  0.8491567     76.01132       18.99066  70.64306       18.31839      0.3007355      1.698313  
1 1 1 -34 12 5  o 4.222288  0.9826445     -7.464484      17.51136  40.90865       16.96953      -2.886117      1.965289  
1 1 1 -34 12 6  o 2.932315  0.9505841     -4.741231      18.29586  -4.115799      17.41797      0.4282046E-01  1.901168  
1 1 1 -34 12 7  o 3.392854  1.021614      -6.333528      18.90869  19.69745       18.04636      -1.107022      2.043229  
1 1 1 -34 12 8  o 3.796662  1.101395      25.03657       19.77334  10.10820       18.77752      0.7739775      2.202791  
1 1 1 -34 12 9  o 4.002843  1.137683      12.52372       20.57594  34.95818       20.62182      -1.125230      2.275366  
1 1 1 -34 12 10 o 3.610411  1.090048      8.975118       20.40828  29.49025       20.36194      -0.8870918     2.180096  
1 1 1 -34 12 11 o 3.790354  1.113441      9.780847       21.05949  48.00843       22.27189      -1.615915      2.226881  
1 1 1 -34 12 12 f 3.780160  1.153362      27.38418       21.85419  48.52038       23.80029      -0.7454044     2.306724  
1 1 1 -34 14 1  o 7.471554  0.8780386     61.82778       16.59880  70.93478       19.53047      -0.3998055     1.756077  
1 1 1 -34 14 2  o 8.217041  0.8402215     73.17625       17.48986  85.83336       20.79075      -0.5404363     1.680443  
1 1 1 -34 14 3  o 3.000793  0.9590836     9.526312       18.91714  -13.47759      17.54382      0.9342667      1.918167  
1 1 1 -34 14 4  o 11.32459  0.7916520     158.2880       25.36330  138.7110       24.61017      0.8195044      1.583304  
1 1 1 -34 14 5  o 10.05627  0.8484306     126.2253       23.86994  116.3874       23.40928      0.4571176      1.696861  
1 1 1 -34 14 6  o 8.504599  0.9320766     84.54700       22.20418  97.42761       21.14209      -0.8942435     1.864153  
1 1 1 -34 14 7  o 3.885303  1.127079      17.42886       20.48702  25.45181       19.48441      -0.3996384     2.254158  
1 1 1 -34 14 8  o 3.894406  1.090134      2.392187       21.36344  41.68526       19.87130      -1.845949      2.180268  
1 1 1 -34 14 9  o 3.835144  1.139830      24.58253       22.65735  29.92232       19.87284      -0.3082776     2.279659  
1 1 1 -34 14 10 o 2.760641  0.9328099     21.70887       22.27530  -24.15385      22.36155      1.020584       1.865620  
1 1 1 -34 14 11 o 3.355926  1.087894      34.70813       22.82817  23.23502       24.54359      0.3916213      2.175788  
1 1 1 -34 16 1  o 12.89141  0.8271023     193.3000       28.59980  211.9505       31.19371      -0.4844386     1.654205  
1 1 1 -34 16 2  o 3.785310  1.104911      17.74170       16.41273  19.44947       23.24115      -0.1606061     2.209822  
1 1 1 -34 16 3  o 3.176624  1.016342      13.48508       20.13661  -4.414760      19.84050      0.6422691      2.032684  
1 1 1 -34 16 4  o 3.045181  0.9917467     11.57709       20.31315  -8.546182      20.10773      0.6492391      1.983493  
1 1 1 -34 16 5  o 2.822032  0.9463156     -0.2079692     20.25072  -9.703144      20.45065      0.2411456      1.892631  
1 1 1 -34 16 6  o 2.497285  0.8666846     -13.07645      20.84050  -24.74081      21.26819      0.1954625      1.733369  
1 1 1 -34 16 7  o 5.737946  1.165763      36.70242       24.19488  86.91891       22.45608      -3.258516      2.331527  
1 1 1 -34 16 8  o 2.621401  0.9060526     -15.11259      23.57998  -1.448700      21.32856      -0.1790078     1.812105  
1 1 1 -34 16 9  o 3.198853  1.051276      11.97336       25.38864  31.20147       22.11471      -0.5593165     2.102552  
1 1 1 -34 18 1  o 3.195795  1.028086      14.98693       18.65686  5.687345       23.10293      0.2221382      2.056173  
1 1 1 -34 18 2  o 3.782629  1.068292      1.187554       18.34946  53.47258       22.39661      -2.324427      2.136584  
1 1 1 -34 18 3  o 3.130580  0.9912626     -18.88012      20.90568  38.73024       22.66800      -1.773720      1.982525  
1 1 1 -34 18 4  o 3.292150  1.056655      0.9339433      22.04426  36.07003       23.35188      -1.110728      2.113309  
1 1 1 -34 18 5  o 3.112120  1.040609      19.40988       25.48714  9.975179       22.94374      0.2486370      2.081218  
1 1 1 -34 18 6  o 2.350373  0.8329960     -38.13016      23.41094  -6.325724      24.00545      -0.4453891     1.665992  
1 1 1 -34 20 1  o 2.788460  0.9770833     21.74119       27.74377  -14.09539      31.64072      0.4544055      1.954167  
1 1 1 -34 20 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 1  1  o 16.81820  1.015363      309.1003       47.81648  288.4341       47.81097      0.6193996      2.030725  
1 1 1 -33 1  2  o 5.274256  1.220914      24.75907       20.11343  34.52424       22.09886      -0.7008429     2.441828  
1 1 1 -33 1  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 1  4  o 6.858630  0.9722185     40.27696       20.24522  58.43199       17.15853      -1.394847      1.944437  
1 1 1 -33 1  5  o 8.385553  0.9369725     121.8274       21.82706  35.86225       19.31364      5.144307       1.873945  
1 1 1 -33 1  6  o 4.627172  1.134387      20.91203       17.29573  23.13879       19.01514      -0.2107794     2.268775  
1 1 1 -33 1  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 1  8  o 4.810507  1.171634      9.061511       18.63853  42.03765       22.82713      -2.170394      2.343268  
1 1 1 -33 1  9  o 7.460569  0.8917842     63.11195       20.31860  60.83272       16.60209      -0.1106149E-01 1.783568  
1 1 1 -33 1  10 o 13.09631  0.7000024     148.6484       24.82710  219.8512       26.08393      -2.698380      1.400005  
1 1 1 -33 1  11 o 7.589621  0.8094835     65.38210       16.86183  64.65186       16.81164      0.4622149E-01  1.618967  
1 1 1 -33 1  12 o 5.308736  1.026058      24.72184       16.18098  46.65887       16.66125      -1.721468      2.052117  
1 1 1 -33 1  13 o 4.430907  1.084877      18.45726       17.06696  36.03701       17.28787      -1.212758      2.169754  
1 1 1 -33 1  14 o 4.029043  1.105279      21.87891       17.97555  28.70650       18.20787      -0.4006864     2.210558  
1 1 1 -33 1  15 o 4.306680  1.155491      46.87254       20.16448  26.97175       20.04545      1.126898       2.310981  
1 1 1 -33 3  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 3  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 3  3  o 17.22021  0.7337752     301.7279       35.60682  310.9451       35.53361      -0.2698457     1.467550  
1 1 1 -33 3  4  o 5.611952  0.7924062     41.74822       12.29360  24.50508       12.15480      1.540473       1.584812  
1 1 1 -33 3  5  o 12.25337  0.6062412     150.1104       21.26220  158.2307       20.50366      -0.3460246     1.212482  
1 1 1 -33 3  6  o 2.854539  0.8701981     -9.195185      13.85054  5.907070       12.78538      -0.6598018     1.740396  
1 1 1 -33 3  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 3  8  o 9.708512  0.6938003     107.4908       18.42915  90.17463       19.05759      0.9242254      1.387601  
1 1 1 -33 3  9  o 4.434603  1.110798      2.543201       16.13269  42.81604       23.05142      -2.670347      2.221595  
1 1 1 -33 3  10 o 3.606743  1.112014      9.498175       19.83126  -5.472688      23.90145      0.3279490      2.224028  
1 1 1 -33 3  11 o 4.406793  1.216876      20.62008       20.34609  24.69995       23.76911      -0.2819903     2.433751  
1 1 1 -33 3  12 o 5.430610  1.292441      35.66179       22.22513  52.49751       25.17936      -0.9209588     2.584883  
1 1 1 -33 3  13 o 3.119562  1.038270      -9.384868      22.08435  0.4083259      25.21379      -0.4083341     2.076539  
1 1 1 -33 3  14 o 3.831349  1.202198      23.03137       24.42427  24.13323       27.76012      -0.3468128E-01 2.404396  
1 1 1 -33 3  15 o 5.050086  1.402112      73.56561       27.41154  70.17467       33.84335      0.8196518      2.804224  
1 1 1 -33 5  1  o 12.11757  0.5777785     152.9963       19.68409  147.4193       19.68405      0.2312399      1.155557  
1 1 1 -33 5  2  f 4.005340  0.8767626     18.93653       10.59486  14.08399       11.58428      0.4316936      1.753525  
1 1 1 -33 5  3  o 13.22203  0.6239871     170.5609       23.10930  188.4229       23.25715      -0.6768197     1.247974  
1 1 1 -33 5  4  o 3.793672  0.8265613     28.40790       12.06292  -6.178161      12.36337      2.604045       1.653123  
1 1 1 -33 5  5  o 7.762982  0.6717216     65.58060       14.98323  60.65899       13.94064      0.2956456      1.343443  
1 1 1 -33 5  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 5  7  o 5.507253  0.9496466     44.03441       14.81548  21.46736       15.92829      1.869254       1.899293  
1 1 1 -33 5  8  o 3.713320  0.9899811     3.208052       14.49916  20.79939       15.32206      -1.214606      1.979962  
1 1 1 -33 5  9  o 8.287416  0.7792393     79.66629       17.89129  70.11729       17.67017      0.5785174      1.558479  
1 1 1 -33 5  10 o 3.310677  0.8760644     -28.12248      15.17057  28.41468       15.91963      -2.753596      1.752129  
1 1 1 -33 5  11 o 3.867192  0.9912475     29.91510       15.85714  0.8466741      15.61423      1.864125       1.982495  
1 1 1 -33 5  12 o 8.457806  0.8265294     72.31891       18.73592  95.84120       19.47844      -1.366652      1.653059  
1 1 1 -33 5  13 o 5.539029  1.011948      67.52690       18.46255  18.72392       18.26375      3.431663       2.023895  
1 1 1 -33 5  14 o 2.938320  0.9587921     -0.7933820     18.65463  7.798842       18.66565      -0.2847247     1.917584  
1 1 1 -33 5  15 o 4.094168  1.155667      28.69211       20.41394  47.25949       20.99386      -0.9186121     2.311334  
1 1 1 -33 5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 7  1  o 8.829471  0.5990764     65.16676       14.04414  95.98240       15.24931      -1.745992      1.198153  
1 1 1 -33 7  2  o 15.31258  0.6688456     224.3115       28.39779  259.9687       29.17637      -1.156219      1.337691  
1 1 1 -33 7  3  o 4.654607  0.8125474     41.75788       12.70173  0.9790207      12.95143      3.335504       1.625095  
1 1 1 -33 7  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 7  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 7  6  o 3.394538  0.9490799     2.551339       14.22554  12.62381       13.37564      -0.5842026     1.898160  
1 1 1 -33 7  7  o 8.651183  0.7297812     77.34606       17.90541  82.32092       17.11032      -0.3204653     1.459562  
1 1 1 -33 7  8  o 2.448059  0.8153028     -3.176820      15.36990  -28.72856      15.57074      0.7614449      1.630606  
1 1 1 -33 7  9  o 13.38807  0.7477825     205.4456       27.90401  184.9091       28.21066      0.7867656      1.495565  
1 1 1 -33 7  10 o 3.500631  1.016361      13.91211       16.12538  5.351041       16.46443      0.4534764      2.032721  
1 1 1 -33 7  11 o 7.219999  0.9171159     64.49433       17.45633  61.76957       18.71192      0.2992708      1.834232  
1 1 1 -33 7  12 o 4.073634  1.015779      0.6084700E-01  16.96710  41.30337       17.74457      -2.460537      2.031557  
1 1 1 -33 7  13 o 3.125711  0.9569545     25.67229       18.12273  -14.54684      18.27708      1.553531       1.913909  
1 1 1 -33 7  14 o 3.821300  1.069196      6.515728       19.36645  46.60855       19.97779      -1.931299      2.138392  
1 1 1 -33 7  15 o 3.957531  1.009868      -15.55507      20.60528  74.88893       21.96525      -3.597558      2.019737  
1 1 1 -33 9  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 9  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 9  3  o 3.760179  1.065453      -1.343489      13.84501  26.55125       25.03729      -2.178695      2.130907  
1 1 1 -33 9  4  o 3.236785  0.9300908     10.76967       13.86837  0.8222758      13.32399      0.6587860      1.860182  
1 1 1 -33 9  5  o 6.259143  0.8765197     55.23601       15.63958  31.00005       14.40471      1.902110       1.753039  
1 1 1 -33 9  6  o 8.752695  0.7321692     93.33413       18.34314  70.93807       17.03090      1.254497       1.464338  
1 1 1 -33 9  7  o 4.893409  1.048788      32.60555       16.03752  23.68671       15.75581      0.7137180      2.097577  
1 1 1 -33 9  8  o 8.094522  0.8564250     62.48734       17.97543  85.58075       19.84424      -1.356580      1.712850  
1 1 1 -33 9  9  o 15.27781  0.8648449     291.9612       39.08823  245.0659       35.11622      1.301973       1.729690  
1 1 1 -33 9  10 o 4.064429  1.066093      28.04875       16.85073  11.79669       16.95515      1.044525       2.132186  
1 1 1 -33 9  11 o 3.577136  1.024525      24.66465       16.65227  -0.1212767     18.45007      1.208554       2.049050  
1 1 1 -33 9  12 o 2.528780  0.8608952     -9.396692      17.80440  -16.86200      18.69629      0.1241379      1.721790  
1 1 1 -33 9  13 o 2.476101  0.8526593     -12.76504      19.25322  -14.01581      19.14685      0.3272774E-01  1.705319  
1 1 1 -33 9  14 o 3.236732  1.040719      26.49545       21.20585  12.60493       20.86306      0.4657764      2.081439  
1 1 1 -33 11 1  o 9.332365  0.6495869     78.95735       15.78462  105.0757       18.01996      -1.349088      1.299174  
1 1 1 -33 11 2  o 26.40684  1.151832      780.2291       85.28992  816.1243       85.89724      -0.6551836     2.303665  
1 1 1 -33 11 3  o 4.501030  1.051568      6.602700       17.00190  35.60817       17.17907      -2.001713      2.103137  
1 1 1 -33 11 4  o 6.151634  0.9087718     37.61604       15.65531  47.16576       15.07378      -0.8007986     1.817544  
1 1 1 -33 11 5  o 3.325209  0.9743434     3.635903       15.32205  8.874541       14.82233      -0.2580623     1.948687  
1 1 1 -33 11 6  o 2.550031  0.8496050     -14.58114      16.60285  -11.59060      15.17723      0.4366011E-01  1.699210  
1 1 1 -33 11 7  f 4.122908  1.013386      2.572430       16.56885  32.63540       16.09278      -1.956592      2.026772  
1 1 1 -33 11 8  o 10.44113  0.7568333     125.5372       22.59253  120.1095       21.51099      0.1974178      1.513667  
1 1 1 -33 11 9  o 9.664046  0.8162735     110.6851       21.63110  108.0605       22.11225      0.1752083      1.632547  
1 1 1 -33 11 10 o 3.252110  1.006280      0.8157860      17.40591  14.03056       18.37256      -0.6145017     2.012560  
1 1 1 -33 11 11 o 2.666741  0.8973129     -4.027668      17.87889  -13.25016      19.45382      0.1512581      1.794626  
1 1 1 -33 11 12 o 6.263849  1.150812      50.76896       20.10694  81.31894       21.92287      -1.881861      2.301624  
1 1 1 -33 11 13 o 2.953115  0.9804124     15.12044       20.71726  3.712477       21.13400      0.3127182      1.960825  
1 1 1 -33 11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 13 1  o 6.790072  0.8333926     52.77735       14.25327  50.20811       17.06321      0.3443259      1.666785  
1 1 1 -33 13 2  o 10.44484  0.6775334     92.00951       17.98514  144.8437       21.36333      -2.419680      1.355067  
1 1 1 -33 13 3  o 3.834183  1.050828      15.66060       16.95722  13.29982       15.62213      0.2041676      2.101656  
1 1 1 -33 13 4  o 5.799024  1.006547      31.40068       16.72659  48.91165       16.63323      -1.404990      2.013094  
1 1 1 -33 13 5  o 6.464606  0.9820395     50.69666       17.71992  50.37904       17.13943      -0.1534172E-01 1.964079  
1 1 1 -33 13 6  o 8.035669  0.8778896     65.80677       19.91038  83.67523       18.64587      -1.243128      1.755779  
1 1 1 -33 13 7  o 8.363287  0.8726850     83.05444       20.36349  83.89561       19.69958      -0.1064089     1.745370  
1 1 1 -33 13 8  o 6.140535  1.077535      41.55712       19.59643  59.99951       18.57458      -1.469567      2.155070  
1 1 1 -33 13 9  o 12.21129  0.8734976     196.8979       28.25441  175.4227       31.27262      1.223372       1.746995  
1 1 1 -33 13 10 o 4.610049  1.189705      34.25734       19.82003  41.33946       20.61856      -0.3867781     2.379409  
1 1 1 -33 13 11 f 2.745532  0.9189281     12.71580       19.16792  -19.57514      21.02493      0.7544931      1.837856  
1 1 1 -33 13 12 o 3.922300  1.144355      45.21788       20.46481  28.44059       22.49128      0.8990799      2.288709  
1 1 1 -33 15 1  o 3.990962  1.050932      22.79136       15.02579  12.36924       17.87051      0.6123879      2.101864  
1 1 1 -33 15 2  o 8.126969  0.8281848     67.00404       16.67990  88.44904       20.61103      -1.056935      1.656370  
1 1 1 -33 15 3  o 4.296050  1.049299      1.719956       18.42828  40.09256       17.80933      -2.316908      2.098598  
1 1 1 -33 15 4  o 8.098000  0.9796498     73.30554       23.32395  87.60200       20.36994      -1.185078      1.959300  
1 1 1 -33 15 5  o 9.855154  0.8270094     112.7663       22.83575  118.1942       22.35711      -0.3204522     1.654019  
1 1 1 -33 15 6  o 3.757123  1.075590      6.884331       18.95977  26.62149       18.22948      -1.007549      2.151181  
1 1 1 -33 15 7  o 2.411507  0.8340543     -20.28647      19.34052  -22.11178      18.56100      0.9213413E-01  1.668109  
1 1 1 -33 15 8  o 4.018919  1.136641      35.52742       20.87273  19.46741       18.88428      0.8068733      2.273282  
1 1 1 -33 15 9  o 3.283932  1.041918      5.853958       20.75618  21.62009       20.17137      -0.5616040     2.083837  
1 1 1 -33 15 10 o 3.455539  1.088981      19.08781       21.34809  28.66650       21.91474      -0.3420186     2.177962  
1 1 1 -33 15 11 f 2.895137  0.9746941     22.03567       21.55896  -0.3089882E-01 23.44905      0.5138160      1.949388  
1 1 1 -33 17 1  o 6.715308  1.031172      38.26590       17.64339  86.88731       21.36842      -3.084209      2.062344  
1 1 1 -33 17 2  f 4.809228  1.082252      17.63106       16.64427  52.37820       19.25845      -2.299054      2.164504  
1 1 1 -33 17 3  o 3.646134  1.070975      10.30675       17.48466  24.98284       19.51593      -0.7635102     2.141949  
1 1 1 -33 17 4  o 4.167353  1.143879      18.99863       19.95795  36.76867       19.86191      -0.9855683     2.287757  
1 1 1 -33 17 5  o 2.606198  0.8878653     -17.58598      19.11373  -4.349370      19.90374      -0.3604056     1.775731  
1 1 1 -33 17 6  o 5.075405  1.219485      58.21300       21.63165  39.27153       21.19116      1.162946       2.438970  
1 1 1 -33 17 7  o 3.599294  1.102626      15.49341       21.95483  31.70708       20.59326      -0.6750748     2.205252  
1 1 1 -33 17 8  o 3.651920  1.127528      29.09778       23.58131  31.22760       20.83807      -0.1757468     2.255057  
1 1 1 -33 17 9  o 2.946064  0.9932563     24.34027       24.11261  4.753712       22.03514      0.4770546      1.986513  
1 1 1 -33 19 1  o 2.856402  0.9592928     3.179487       18.14581  -4.024168      25.09486      -0.5554676E-01 1.918586  
1 1 1 -33 19 2  o 3.594076  1.087866      5.946810       20.99140  42.14542       22.01432      -1.433539      2.175733  
1 1 1 -33 19 3  o 3.140624  1.020001      20.42832       20.22840  3.327386       22.15327      0.5102292      2.040002  
1 1 1 -33 19 4  o 3.612529  1.106411      40.57586       21.54733  14.60383       22.47466      1.034230       2.212821  
1 1 1 -33 19 5  o 2.816187  0.9567587     -7.888783      22.40120  17.01540       22.73719      -0.5675172     1.913517  
1 1 1 -33 19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -33 21 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 0  4  o 2.469170  1.554424      3.490577       16.16163  3.490577       16.16163      ?              ?         
1 1 1 -32 0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 0  6  o 14.50755  0.9239802     215.5500       26.55690  215.5500       26.55690      ?              ?         
1 1 1 -32 0  7  o 13.06216  0.9011702     175.2417       23.28074  175.2417       23.28074      ?              ?         
1 1 1 -32 0  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 0  9  o 17.59652  1.051144      320.4957       36.68774  320.4957       36.68774      ?              ?         
1 1 1 -32 0  10 o 14.82217  0.9656428     228.0737       28.34333  228.0737       28.34333      ?              ?         
1 1 1 -32 0  11 o 2.676594  1.563957      10.14451       13.94472  10.14451       13.94472      ?              ?         
1 1 1 -32 0  12 o 2.362506  1.482121      5.198026       14.55567  5.198026       14.55567      ?              ?         
1 1 1 -32 0  13 o 2.753185  1.627444      11.89173       15.40280  11.89173       15.40280      ?              ?         
1 1 1 -32 0  14 o 3.936620  1.861101      28.06655       16.58075  28.06655       16.58075      ?              ?         
1 1 1 -32 0  15 o 5.149583  1.916280      44.39402       18.34879  44.39402       18.34879      ?              ?         
1 1 1 -32 0  16 o 5.731049  1.944086      56.40979       19.95316  56.40979       19.95316      ?              ?         
1 1 1 -32 0  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 2  1  o 23.42765  0.9431903     565.9200       62.22668  576.8416       62.24994      -0.2335113     1.886381  
1 1 1 -32 2  2  o 17.83652  0.7384415     325.9205       36.86082  327.6959       37.32502      -0.4383815E-01 1.476883  
1 1 1 -32 2  3  f 6.991532  0.6007934     54.62405       11.49540  45.48207       11.70641      0.6716502      1.201587  
1 1 1 -32 2  4  o 8.219522  0.7170182     73.56080       15.21375  65.37477       17.62890      0.5603254      1.434036  
1 1 1 -32 2  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 2  6  o 16.15553  1.006018      265.7704       45.38212  289.9726       45.54739      -0.7519528     2.012036  
1 1 1 -32 2  7  o 5.811186  1.098520      40.37215       17.10925  33.58332       20.64913      0.5410029      2.197041  
1 1 1 -32 2  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 2  9  o 7.829823  1.040434      74.68413       20.88964  60.65081       24.15935      1.045372       2.080868  
1 1 1 -32 2  10 o 9.989063  0.9428492     114.2479       25.50869  107.7118       26.43327      0.3758379      1.885698  
1 1 1 -32 2  11 o 10.09248  0.9886301     112.1239       26.64561  123.2939       28.31026      -0.4679518     1.977260  
1 1 1 -32 2  12 o 4.360548  1.209252      21.43338       20.85428  22.37107       22.70551      -0.8625840E-01 2.418504  
1 1 1 -32 2  13 o 3.098077  1.019763      -10.29714      20.72539  -0.9966630     22.86534      -0.4008246     2.039526  
1 1 1 -32 2  14 o 3.494410  1.045336      9.700416       19.34951  15.68143       16.75438      -0.2144047     2.090673  
1 1 1 -32 2  15 o 4.131629  1.099812      20.44382       18.13276  37.17040       18.03408      -1.024357      2.199624  
1 1 1 -32 2  16 o 2.496640  0.8564320     0.4032273      18.94946  -14.43424      19.01819      0.3305698      1.712864  
1 1 1 -32 2  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 4  1  o 9.539730  0.5051541     87.62315       13.55669  97.16904       13.48206      -0.5048022     1.010308  
1 1 1 -32 4  2  o 4.381273  0.7608862     12.92238       9.022964  27.85777       10.17432      -1.567035      1.521772  
1 1 1 -32 4  3  o 11.24251  0.5530314     126.6081       17.53984  131.0609       17.40855      -0.2007449     1.106063  
1 1 1 -32 4  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 4  5  o 3.544458  0.8734210     17.31704       11.54221  6.300676       10.65057      1.005701       1.746842  
1 1 1 -32 4  6  o 11.75429  0.5963242     144.5316       20.06626  139.4466       19.33674      0.2054567      1.192648  
1 1 1 -32 4  7  o 8.988291  0.6523999     84.02216       16.27229  84.03178       16.43000      0.3002154E-02  1.304800  
1 1 1 -32 4  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 4  9  o 8.438217  0.6998057     75.34334       16.58534  75.74525       16.19157      -0.3686322E-01 1.399611  
1 1 1 -32 4  10 o 4.070796  0.9787304     24.26238       13.67764  10.23094       14.39128      1.064977       1.957461  
1 1 1 -32 4  11 o 8.026039  0.7440934     74.90883       16.28825  66.23369       16.62525      0.5693082      1.488187  
1 1 1 -32 4  12 o 4.211301  1.003753      30.57884       14.89879  10.72353       15.30672      1.462484       2.007505  
1 1 1 -32 4  13 o 4.007628  1.042839      27.53748       15.81731  12.18458       16.54095      1.011226       2.085677  
1 1 1 -32 4  14 o 4.572350  1.233618      30.28270       19.17607  43.47815       26.22786      -0.4410973     2.467237  
1 1 1 -32 4  15 o 2.971471  0.9772481     29.12644       22.73058  -58.53005      28.94628      1.540205       1.954496  
1 1 1 -32 4  16 o 2.953737  1.012385      20.79587       23.89737  -16.35555      32.66640      0.5192147      2.024770  
1 1 1 -32 4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 6  1  o 16.62602  2.183281      313.3259       70.84593  ?              ?             ?              ?         
1 1 1 -32 6  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 6  3  o 11.25928  0.6101684     133.6310       20.22600  126.9975       18.45318      0.2688720      1.220337  
1 1 1 -32 6  4  o 9.665356  0.5822617     77.63679       15.78240  113.5755       15.33644      -1.893099      1.164523  
1 1 1 -32 6  5  o 8.237066  0.6107931     63.33745       14.44351  75.78951       13.55038      -0.7880124     1.221586  
1 1 1 -32 6  6  o 11.31796  0.6145688     136.4957       20.00242  128.1689       19.06231      0.3522535      1.229138  
1 1 1 -32 6  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 6  8  o 11.95536  0.6668398     153.0656       22.04742  146.1550       22.68814      0.3076605      1.333680  
1 1 1 -32 6  9  o 5.805274  0.9185843     35.76099       14.20951  40.71058       15.22676      -0.3773244     1.837169  
1 1 1 -32 6  10 o 8.792002  0.7138439     75.07607       16.98386  92.06596       17.75730      -0.9494295     1.427688  
1 1 1 -32 6  11 o 7.270122  0.8418762     70.67259       16.39123  48.29702       16.88713      1.620367       1.683752  
1 1 1 -32 6  12 o 4.358222  1.012385      10.48453       15.37593  36.59011       16.00417      -1.899307      2.024770  
1 1 1 -32 6  13 o 5.601299  1.048100      35.75723       16.81089  50.03935       17.27338      -1.095901      2.096201  
1 1 1 -32 6  14 o 2.413085  0.8255841     -18.12826      17.24904  -9.898402      17.30360      -0.2028932     1.651168  
1 1 1 -32 6  15 o 3.185326  1.008802      15.53996       18.49793  12.18132       19.03120      0.1239704      2.017604  
1 1 1 -32 8  1  o 7.841269  0.5843120     61.96102       12.27650  65.02268       13.31060      -0.1772345     1.168624  
1 1 1 -32 8  2  o 15.43675  0.6607761     232.9483       28.20755  258.1083       29.19550      -0.8020568     1.321552  
1 1 1 -32 8  3  o 7.558641  0.6424651     51.73528       13.25024  66.44286       13.52328      -0.9871566     1.284930  
1 1 1 -32 8  4  f 9.150314  0.6048757     82.60947       15.89198  89.86113       15.06397      -0.4175431     1.209751  
1 1 1 -32 8  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 8  6  o 4.027877  1.755229      1.970474       26.54876  ?              ?             ?              ?         
1 1 1 -32 8  7  o 9.488244  0.6707970     94.14516       17.80387  95.40668       17.71744      -0.6967335E-01 1.341594  
1 1 1 -32 8  8  o 9.397862  0.6989390     89.38736       18.00955  98.83653       18.56509      -0.4898434     1.397878  
1 1 1 -32 8  9  f 5.784203  0.9269399     50.19695       15.05939  25.28540       15.69895      2.058388       1.853880  
1 1 1 -32 8  10 o 11.59034  0.6922778     138.3158       21.96264  154.2206       22.98435      -0.6443546     1.384556  
1 1 1 -32 8  11 o 2.693208  0.8749753     -4.077416      14.26124  -6.726723      16.32801      -0.7814791E-01 1.749951  
1 1 1 -32 8  12 o 3.118667  0.9556960     10.42279       15.24920  -0.1545129     16.42868      0.4307836      1.911392  
1 1 1 -32 8  13 o 6.375228  1.044964      57.12737       18.58182  57.67785       18.37189      -0.6815162E-01 2.089929  
1 1 1 -32 8  14 f 2.948350  0.9574072     3.170696       18.22906  7.663526       18.23958      -0.1551501     1.914814  
1 1 1 -32 8  15 f 3.931255  1.107369      49.66777       20.00023  19.85034       20.33147      1.502416       2.214738  
1 1 1 -32 8  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 10 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 10 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 10 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 10 4  f 8.612130  0.6790599     91.51681       16.45917  63.81966       15.73249      1.620133       1.358120  
1 1 1 -32 10 5  o 3.759649  0.9782389     11.15232       14.77287  14.86684       12.87951      -0.1715298     1.956478  
1 1 1 -32 10 6  f 6.716606  0.8240933     45.72432       15.63356  52.45348       14.60605      -0.5568436     1.648187  
1 1 1 -32 10 7  o 7.314375  0.8064312     66.34786       16.15377  50.27990       15.96593      1.122425       1.612862  
1 1 1 -32 10 8  o 6.537629  0.8947041     71.52575       16.19365  26.08754       16.60300      3.417149       1.789408  
1 1 1 -32 10 9  o 5.288232  1.033893      35.09507       15.67614  33.88852       16.33179      0.1268447      2.067785  
1 1 1 -32 10 10 o 4.410508  1.062805      19.01551       15.70057  30.58860       16.52538      -0.8488981     2.125609  
1 1 1 -32 10 11 o 2.972495  0.9134107     15.89229       15.63659  -15.64978      16.71451      1.245545       1.826821  
1 1 1 -32 10 12 o 4.465626  1.113049      29.08754       17.10391  32.01660       17.88477      -0.1676274     2.226098  
1 1 1 -32 10 13 o 4.291098  1.103381      45.13702       18.74507  18.94300       18.38019      1.587596       2.206761  
1 1 1 -32 10 14 o 2.898490  0.9554414     3.006087       19.05134  12.69894       19.44490      -0.3056697     1.910883  
1 1 1 -32 10 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 12 1  o 12.27505  0.6249273     160.7691       20.59977  152.8739       22.63322      0.3751578      1.249855  
1 1 1 -32 12 2  o 6.163438  0.8451439     31.69785       13.37879  51.84660       15.00964      -1.591871      1.690288  
1 1 1 -32 12 3  o 13.42194  0.7037241     199.8359       28.39890  183.2223       24.94464      0.5175554      1.407448  
1 1 1 -32 12 4  o 3.298233  0.9343284     -2.474441      14.42245  14.65018       13.64372      -0.9712427     1.868657  
1 1 1 -32 12 5  f 9.697402  0.7041953     93.37183       20.01844  106.8383       18.11738      -0.7799603     1.408391  
1 1 1 -32 12 6  o 7.383468  0.8460214     79.60452       17.36149  42.39441       16.24855      2.536745       1.692043  
1 1 1 -32 12 7  o 5.181470  1.037438      37.98732       16.22304  27.60048       15.81678      0.8337145      2.074876  
1 1 1 -32 12 8  o 4.074245  1.000457      34.75138       16.58314  1.980965       15.53935      2.183127       2.000914  
1 1 1 -32 12 9  o 6.419294  0.9946917     48.34682       17.11841  55.64698       18.01085      -0.4853602     1.989383  
1 1 1 -32 12 10 f 5.187089  1.110027      38.29156       17.07178  38.37724       18.37899      0.8278043E-01  2.220054  
1 1 1 -32 12 11 o 4.527281  1.078318      43.85074       17.24653  16.70037       18.99576      1.840196       2.156635  
1 1 1 -32 12 12 o 6.028817  1.092075      64.28147       18.28851  50.20519       20.30819      1.342389       2.184149  
1 1 1 -32 12 13 f 2.528641  0.8658326     7.969055       19.59903  -22.50245      19.90602      0.6584499      1.731665  
1 1 1 -32 14 1  o 8.726118  0.6901996     86.89262       15.67052  75.57463       17.95119      0.7604803      1.380399  
1 1 1 -32 14 2  o 8.730453  0.7046245     68.77100       15.79310  97.23195       18.26260      -1.547256      1.409249  
1 1 1 -32 14 3  o 4.903279  1.043016      23.62828       16.39445  33.53645       15.44371      -0.8073711     2.086032  
1 1 1 -32 14 4  o 6.342933  0.8933294     68.18473       15.81827  24.78192       16.33511      3.330770       1.786659  
1 1 1 -32 14 5  o 13.87425  0.7589082     208.0485       30.48257  218.8794       28.67485      -0.4888953     1.517816  
1 1 1 -32 14 6  o 4.067047  0.9300528     42.77242       17.01163  -13.10561      15.73798      3.338807       1.860106  
1 1 1 -32 14 7  o 3.161697  0.9773676     7.788876       17.03650  0.9132866      16.28027      0.3570010      1.954735  
1 1 1 -32 14 8  o 3.775237  1.031165      31.61912       18.01320  2.928617       16.23869      1.683920       2.062330  
1 1 1 -32 14 9  o 5.166835  1.154782      36.16895       18.52402  46.20234       19.45049      -0.6539179     2.309565  
1 1 1 -32 14 10 f 5.930926  1.123310      38.92650       19.26942  72.68611       20.79902      -2.236945      2.246620  
1 1 1 -32 14 11 o 2.692324  0.9055067     -9.222571      18.19792  5.273855       19.74765      -0.4583578     1.811013  
1 1 1 -32 14 12 o 4.313804  1.192215      43.25728       20.29615  46.07150       21.93871      0.1097398E-01  2.384429  
1 1 1 -32 14 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -32 16 1  o 6.617771  0.9157246     61.97651       15.71006  40.45987       18.28604      1.814336       1.831449  
1 1 1 -32 16 2  f 4.135577  1.038314      24.46739       14.54910  16.37573       16.71170      0.5626146      2.076627  
1 1 1 -32 16 3  o 3.918491  1.063827      7.957781       17.90517  26.10047       16.85288      -1.051411      2.127655  
1 1 1 -32 16 4  o 6.193478  1.039843      40.42080       18.42011  58.24598       18.02939      -1.393044      2.079686  
1 1 1 -32 16 5  o 9.688057  0.8287023     124.6512       22.98592  99.18858       21.35208      1.197671       1.657405  
1 1 1 -32 16 6  o 4.556756  1.132126      26.47943       18.54885  34.61635       17.97944      -0.5704865     2.264253  
1 1 1 -32 16 7  o 3.483552  1.054457      15.49171       19.40935  12.44675       17.65818      0.1792085      2.108914  
1 1 1 -32 16 8  o 2.845256  0.9358549     -9.306695      19.74705  6.615601       17.54582      -0.3846464     1.871710  
1 1 1 -32 16 9  o 3.664434  1.097233      22.83224       19.83324  24.13487       19.49702      -0.6607269E-01 2.194466  
1 1 1 -32 16 10 o 2.166028  0.7684065     -49.39877      20.21716  -10.32280      21.17199      -0.5984802     1.536813  
1 1 1 -32 16 11 o 3.218878  1.033873      32.80130       20.45415  13.16055       21.93899      0.6756305      2.067747  
1 1 1 -32 18 1  o 3.406740  1.023243      16.24622       16.00664  5.765730       19.41541      0.3856991      2.046487  
1 1 1 -32 18 2  o 2.894044  0.9207075     -9.707776      15.36382  15.29009       18.53884      -1.137873      1.841415  
1 1 1 -32 18 3  o 6.511918  1.072536      48.43803       18.47968  73.76920       20.57724      -1.598666      2.145072  
1 1 1 -32 18 4  o 3.395673  1.049319      11.81025       19.04930  14.28274       19.15476      -0.1067981     2.098638  
1 1 1 -32 18 5  o 2.654626  0.9012071     -15.47354      19.81412  -2.633682      19.63214      -0.3020404     1.802414  
1 1 1 -32 18 6  o 3.491666  1.039903      -1.570263      20.18295  36.46428       19.66659      -1.581048      2.079806  
1 1 1 -32 18 7  o 2.608562  0.8949509     -15.38082      21.33018  -0.8049867     20.22796      -0.2646007     1.789902  
1 1 1 -32 18 8  o 3.298246  1.011012      49.61351       22.35975  -7.507368      19.78949      1.973234       2.022025  
1 1 1 -32 18 9  o 2.745134  0.9368443     18.52900       22.59356  -4.069190      21.55181      0.5119662      1.873689  
1 1 1 -32 20 1  o 2.382672  0.8258697     -7.154772      18.06137  -24.49533      20.20774      0.2265972      1.651739  
1 1 1 -32 20 2  o 4.050589  1.106827      47.18793       18.98011  16.53779       22.15694      1.679047       2.213654  
1 1 1 -32 20 3  o 3.969793  1.111279      53.07298       20.71394  12.83825       22.36187      1.909746       2.222558  
1 1 1 -32 20 4  o 3.102803  0.9982751     35.81159       21.33086  -8.877899      22.20959      1.318390       1.996550  
1 1 1 -32 20 5  o 3.179973  1.030439      0.4596811      23.61550  38.42627       22.12254      -1.106502      2.060878  
1 1 1 -32 22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 1  1  o 11.52807  0.7365347     144.9425       23.79861  127.5897       23.64597      0.7583256      1.473069  
1 1 1 -31 1  2  o 6.754763  1.036511      ?              ?         47.54669       13.55632      ?              ?         
1 1 1 -31 1  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 1  4  o 12.16593  0.8018617     182.5421       27.78768  123.8477       26.20888      2.421296       1.603723  
1 1 1 -31 1  5  o 5.003569  0.8742548     40.46644       13.34325  10.90202       13.47686      2.532131       1.748510  
1 1 1 -31 1  6  o 5.338197  1.015409      29.01751       14.13078  33.58356       17.68234      -0.3695295     2.030818  
1 1 1 -31 1  7  o 7.816747  0.9082153     76.83801       17.89700  49.63828       21.27165      1.886546       1.816431  
1 1 1 -31 1  8  o 9.242401  0.8659620     89.14098       21.16834  92.77795       23.12140      -0.1471977     1.731924  
1 1 1 -31 1  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 1  10 o 13.83406  0.6465823     197.5298       25.20536  201.4684       25.10855      -0.1452786     1.293165  
1 1 1 -31 1  11 o 10.54795  0.6171467     107.8140       18.14823  125.4066       18.27686      -0.8378695     1.234293  
1 1 1 -31 1  12 o 4.973842  0.9212287     16.66420       13.66839  40.07751       14.01696      -2.005216      1.842457  
1 1 1 -31 1  13 o 3.508178  0.9693411     16.92375       14.22473  6.661694       14.19473      0.6719885      1.938682  
1 1 1 -31 1  14 f 3.141093  0.9255799     18.58969       15.03471  -7.466035      15.27875      1.299962       1.851160  
1 1 1 -31 1  15 o 7.736349  0.8836375     58.65412       18.36327  92.85686       18.57566      -2.256589      1.767275  
1 1 1 -31 1  16 o 2.385628  0.8187906     -16.94272      17.27076  -6.973239      17.43423      -0.2434023     1.637581  
1 1 1 -31 3  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 3  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 3  3  o 10.59818  1.583194      ?              ?         120.1883       32.53072      ?              ?         
1 1 1 -31 3  4  o 9.380229  0.5155494     85.65105       13.59750  93.13301       13.52717      -0.4025563     1.031099  
1 1 1 -31 3  5  o 14.55612  0.6102109     215.5338       25.31165  216.9759       24.71885      -0.5691187E-01 1.220422  
1 1 1 -31 3  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 3  7  o 11.12543  0.5829542     118.8815       18.01262  134.5733       18.37323      -0.7044411     1.165908  
1 1 1 -31 3  8  o 2.303270  0.7492267     -15.68946      11.47714  -1.759025      11.85212      -0.6294960     1.498453  
1 1 1 -31 3  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 3  10 o 8.696769  0.9519401     102.0300       21.68093  62.10929       23.13635      2.435800       1.903880  
1 1 1 -31 3  11 o 3.868491  1.096391      8.127016       17.03126  16.98775       19.83410      -0.6389009     2.192782  
1 1 1 -31 3  12 o 5.060337  1.149091      42.71360       18.88700  17.36464       21.32287      1.673214       2.298181  
1 1 1 -31 3  13 o 4.390480  1.067910      -11.59101      18.70532  53.87097       22.59513      -3.495669      2.135821  
1 1 1 -31 3  14 o 3.380875  1.011664      30.41326       20.28462  -38.72563      23.87061      2.060193       2.023329  
1 1 1 -31 3  15 o 4.539560  1.264969      34.57914       21.35224  42.59774       27.20561      -0.1581714     2.529939  
1 1 1 -31 3  16 o 3.083105  1.031311      11.54513       20.94073  -1.185996      28.61275      0.1421858      2.062622  
1 1 1 -31 5  1  o 6.732464  0.5284601     37.01431       9.734093  55.22506       9.786337      -1.381693      1.056920  
1 1 1 -31 5  2  o 11.11192  0.5186813     115.4872       15.68560  135.5183       16.71196      -0.8946599     1.037363  
1 1 1 -31 5  3  o 15.26531  0.6393344     224.9345       27.47803  250.4318       27.43631      -0.8395771     1.278669  
1 1 1 -31 5  4  o 17.73066  0.7913355     316.8402       36.97807  334.8893       42.54563      -0.4265954     1.582671  
1 1 1 -31 5  5  o 10.15905  1.741283      ?              ?         113.5614       34.10705      ?              ?         
1 1 1 -31 5  6  o 9.176683  0.5689527     80.13573       15.03238  91.64539       14.19457      -0.6483029     1.137905  
1 1 1 -31 5  7  o 12.63219  0.6191736     171.8766       21.84452  155.9048       22.09448      0.6403422      1.238347  
1 1 1 -31 5  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 5  9  o 9.367224  0.6304845     102.3783       16.06561  79.27345       16.76708      1.271135       1.260969  
1 1 1 -31 5  10 o 7.560098  0.6969542     70.85535       13.98291  49.31811       14.79907      1.499087       1.393908  
1 1 1 -31 5  11 o 11.42611  0.6407282     143.6004       20.38507  133.4260       20.66977      0.4586025      1.281456  
1 1 1 -31 5  12 o 6.995231  0.8209310     49.07147       15.43538  61.61707       15.81248      -0.8974416     1.641862  
1 1 1 -31 5  13 o 9.961186  0.6989567     115.5226       19.47702  106.4611       19.35859      0.4526650      1.397913  
1 1 1 -31 5  14 f 3.310988  0.9110658     28.94179       15.63710  -14.66398      15.58938      2.190885       1.822132  
1 1 1 -31 5  15 o 3.528259  1.010437      5.477968       16.51996  29.37933       17.10679      -1.280379      2.020874  
1 1 1 -31 5  16 o 2.866161  0.9225602     21.47280       17.46275  -9.617112      18.47497      1.019000       1.845120  
1 1 1 -31 5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 7  1  o 15.67680  0.6569495     243.6618       28.69179  259.4614       29.29406      -0.4980626     1.313899  
1 1 1 -31 7  2  o 12.73220  0.5702560     160.2974       20.11601  170.3464       20.74497      -0.3885294     1.140512  
1 1 1 -31 7  3  o 4.086948  0.8505775     21.33719       10.60079  13.35948       10.72562      0.7825425      1.701155  
1 1 1 -31 7  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 7  5  f 3.832515  0.8652843     9.274241       12.15002  18.72880       10.08053      -0.7655007     1.730569  
1 1 1 -31 7  6  o 16.15672  0.7000650     287.0095       32.17213  253.0939       31.43724      1.041328       1.400130  
1 1 1 -31 7  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 7  8  o 5.058483  0.9326987     33.49496       13.54807  22.62556       13.78511      0.9674247      1.865397  
1 1 1 -31 7  9  o 11.75173  0.6413919     156.8199       20.69728  131.2226       21.52288      1.122437       1.282784  
1 1 1 -31 7  10 o 6.973073  0.7787745     42.02887       14.21812  63.96998       15.22512      -1.574507      1.557549  
1 1 1 -31 7  11 o 7.643265  0.7472585     70.18474       15.34197  57.66213       16.00760      0.8772870      1.494517  
1 1 1 -31 7  12 o 2.582044  0.8426135     -0.4562404     14.42301  -13.81765      14.83663      0.4552681      1.685227  
1 1 1 -31 7  13 o 4.670269  0.9604716     9.104338       15.41479  45.97843       15.66242      -2.737217      1.920943  
1 1 1 -31 7  14 o 3.350861  0.9053861     33.65577       16.13603  -20.10693      16.36572      2.512573       1.810772  
1 1 1 -31 7  15 o 2.831164  0.9247684     9.062510       17.29899  -2.839892      17.78893      0.3818932      1.849537  
1 1 1 -31 7  16 o 2.808973  0.9281836     16.44366       18.10960  -1.750762      19.39595      0.5207460      1.856367  
1 1 1 -31 7  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 9  1  o 3.340081  0.8281597     10.75056       8.760375  9.882417       10.87671      -0.5870315E-01 1.656319  
1 1 1 -31 9  2  o 8.635709  0.5599210     80.02872       13.07364  72.29743       13.99424      0.4687923      1.119842  
1 1 1 -31 9  3  o 6.210489  0.7110703     55.38201       11.69675  25.40537       11.94527      2.487767       1.422141  
1 1 1 -31 9  4  o 13.24199  0.6028746     187.5740       22.86861  172.8584       22.04547      0.5446330      1.205749  
1 1 1 -31 9  5  o 9.674754  0.6025169     96.85160       17.21404  96.54682       15.55032      -0.1718470E-01 1.205034  
1 1 1 -31 9  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 9  7  o 4.098035  0.9470745     11.75660       13.07622  23.13498       12.88898      -0.9510641     1.894149  
1 1 1 -31 9  8  f 6.671032  0.8123276     31.17439       14.21485  65.93182       15.03341      -2.633881      1.624655  
1 1 1 -31 9  9  o 14.38428  0.6968761     213.0441       27.75830  228.7416       28.59459      -0.5193720     1.393752  
1 1 1 -31 9  10 o 3.903705  1.000225      12.66649       13.75706  20.76496       14.95667      -0.6340528     2.000450  
1 1 1 -31 9  11 o 4.195876  1.007021      15.41848       14.20556  27.22884       14.87192      -0.9206083     2.014043  
1 1 1 -31 9  12 o 3.012398  0.8629765     23.19291       15.11273  -25.94241      15.45079      2.122418       1.725953  
1 1 1 -31 9  13 o 2.544299  0.8499342     -0.4636705     16.48803  -16.64152      16.22530      0.5081227      1.699868  
1 1 1 -31 9  14 o 5.062460  1.125907      37.68686       18.00455  48.06269       18.26428      -0.7391591     2.251813  
1 1 1 -31 9  15 o 3.608459  1.076722      28.12771       18.47447  24.01820       19.32722      0.2253150      2.153444  
1 1 1 -31 9  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 11 1  o 9.844629  0.5701509     91.56013       14.85685  108.6947       16.66889      -0.8417475     1.140302  
1 1 1 -31 11 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 11 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 11 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 11 5  o 3.489159  0.9457816     13.22720       14.07624  7.332941       12.30080      0.5400599      1.891563  
1 1 1 -31 11 6  o 14.36699  0.6881276     211.1468       28.29580  222.9396       27.30855      -0.4400357     1.376255  
1 1 1 -31 11 7  o 8.464602  0.7073548     73.30917       16.55928  80.06146       16.62591      -0.4029127     1.414710  
1 1 1 -31 11 8  o 8.693330  0.7304280     86.87042       17.54332  76.97124       17.61352      0.5826467      1.460856  
1 1 1 -31 11 9  o 4.460243  0.9914267     12.35519       14.44771  34.34256       15.18429      -1.729140      1.982853  
1 1 1 -31 11 10 o 2.968402  0.9087669     11.62771       14.59261  -10.32027      15.56737      0.9388739      1.817534  
1 1 1 -31 11 11 o 2.740455  0.8753377     7.658917       14.64436  -16.31764      16.28937      0.7876794      1.750675  
1 1 1 -31 11 12 o 7.635592  0.9028510     106.8877       18.26764  42.89647       18.41694      4.251616       1.805702  
1 1 1 -31 11 13 o 6.960039  0.9995747     77.96150       18.94967  59.32965       19.27168      1.392671       1.999149  
1 1 1 -31 11 14 o 2.869440  0.9424713     13.17329       18.59061  -0.3506201     18.60527      0.4292030      1.884943  
1 1 1 -31 11 15 o 2.816631  0.9456867     14.77410       19.98902  6.485537       20.97079      0.2074011      1.891373  
1 1 1 -31 13 1  o 14.54006  0.6553890     201.1888       26.06803  241.0500       27.47574      -1.342672      1.310778  
1 1 1 -31 13 2  f 9.362345  0.6291653     88.95949       15.60453  95.35566       17.45964      -0.2927530     1.258331  
1 1 1 -31 13 3  o 2.368068  0.7872310     -14.68548      14.42393  -10.23040      12.65529      0.4599779E-01  1.574462  
1 1 1 -31 13 4  o 6.923476  0.7843243     48.65542       15.06693  55.40982       14.59411      -0.5210402     1.568649  
1 1 1 -31 13 5  o 2.811718  0.8637573     10.38832       15.23766  -14.41565      13.35655      1.324222       1.727515  
1 1 1 -31 13 6  o 8.911301  0.7191556     93.84978       18.35859  78.57197       17.18742      0.8190640      1.438311  
1 1 1 -31 13 7  o 11.13230  0.6975855     119.9190       21.69418  148.4294       21.60863      -1.300353      1.395171  
1 1 1 -31 13 8  o 8.690223  0.7901834     108.0802       20.27433  63.97561       17.17118      2.404532       1.580367  
1 1 1 -31 13 9  o 2.987321  0.8756668     -24.28379      15.38275  21.49561       15.82862      -1.997704      1.751334  
1 1 1 -31 13 10 o 3.373246  1.001704      9.097249       15.53752  12.34078       16.85026      -0.2221570     2.003407  
1 1 1 -31 13 11 o 4.401340  0.9762300     -0.8432854     16.12495  54.36615       18.26716      -3.403950      1.952460  
1 1 1 -31 13 12 o 3.593659  1.039464      8.982731       17.77991  30.49082       17.69323      -1.105462      2.078927  
1 1 1 -31 13 13 o 3.903007  1.066458      49.04529       19.18434  11.33868       19.17575      1.939394       2.132916  
1 1 1 -31 13 14 o 2.516093  0.8714959     4.403596       20.94546  -10.03715      21.01444      0.2766271      1.742992  
1 1 1 -31 15 1  o 6.762233  0.8158321     38.52021       13.80350  63.93348       16.11117      -1.806739      1.631664  
1 1 1 -31 15 2  o 6.436349  0.8811961     44.70933       13.74555  51.60893       18.08109      -0.2963925     1.762392  
1 1 1 -31 15 3  o 4.086964  0.9991990     30.51066       15.83923  6.091584       14.61730      1.771771       1.998398  
1 1 1 -31 15 4  o 9.522065  0.7061028     101.3970       18.91047  96.91655       18.55534      0.2209122      1.412206  
1 1 1 -31 15 5  o 5.511412  1.006147      52.45249       17.45400  22.66849       15.49877      2.280267       2.012295  
1 1 1 -31 15 6  o 8.920869  0.7654858     100.0885       19.26906  79.55836       18.39660      1.117864       1.530972  
1 1 1 -31 15 7  o 3.885270  1.053277      11.67646       16.36386  23.91027       16.70927      -0.7743680     2.106554  
1 1 1 -31 15 8  o 4.360816  1.055650      13.52982       18.32133  35.29546       15.89568      -1.487433      2.111301  
1 1 1 -31 15 9  o 3.674685  1.013667      -2.306369      16.96604  35.24612       18.28283      -1.993425      2.027333  
1 1 1 -31 15 10 o 2.470846  0.8439738     -11.28081      17.11646  -14.32795      18.62775      -0.2421151E-01 1.687948  
1 1 1 -31 15 11 o 3.091651  0.9830368     17.45052       17.75568  3.098734       19.03208      0.5118710      1.966074  
1 1 1 -31 15 12 f 2.760293  0.9262874     -4.119005      18.90937  14.91766       20.54806      -0.5501171     1.852575  
1 1 1 -31 15 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -31 17 1  o 6.921619  0.8845944     30.30684       15.20895  87.12686       18.16444      -3.903064      1.769189  
1 1 1 -31 17 2  o 5.595681  0.9740900     30.80218       14.29387  48.31713       16.57485      -1.308391      1.948180  
1 1 1 -31 17 3  o 4.598675  1.088763      23.94633       16.71336  32.21224       16.87887      -0.6065004     2.177525  
1 1 1 -31 17 4  o 7.710568  0.9044315     81.35745       19.45782  63.18942       18.46564      1.119247       1.808863  
1 1 1 -31 17 5  o 4.744014  1.125112      31.25081       18.33905  33.06188       17.34925      -0.1717079     2.250223  
1 1 1 -31 17 6  o 4.182265  1.014621      44.30005       17.86074  2.410693       16.50777      2.588479       2.029242  
1 1 1 -31 17 7  o 3.039900  0.9412538     -15.60481      18.09141  21.30071       17.35348      -1.377718      1.882508  
1 1 1 -31 17 8  o 5.367401  1.169850      51.59031       21.19563  46.38149       18.18311      0.2306079E-01  2.339700  
1 1 1 -31 17 9  f 3.500573  1.062100      19.81024       18.82777  20.98499       18.88004      -0.5290486E-01 2.124200  
1 1 1 -31 17 10 o 2.435541  0.8451271     -4.483420      19.56682  -19.37599      20.57330      0.2415850      1.690254  
1 1 1 -31 17 11 o 3.431546  1.073354      40.29474       20.58458  20.05478       22.36894      0.8116173      2.146708  
1 1 1 -31 19 1  o 3.337996  1.036190      1.242161       20.11025  17.61246       18.57795      -0.6097090     2.072381  
1 1 1 -31 19 2  o 6.424349  1.070329      50.55226       18.91774  67.90114       19.56923      -1.208430      2.140658  
1 1 1 -31 19 3  o 2.595236  0.8704734     1.603731       17.02969  -19.46008      18.29299      0.5035020      1.740947  
1 1 1 -31 19 4  o 3.105397  0.9559429     27.27378       18.63586  -17.27877      18.80239      1.629079       1.911886  
1 1 1 -31 19 5  o 2.930869  0.9728827     10.97814       22.73951  -4.966361      18.63440      0.6050769      1.945765  
1 1 1 -31 19 6  o 3.015399  0.9703282     23.99877       20.07531  -7.426018      18.85709      1.081872       1.940656  
1 1 1 -31 19 7  o 2.314407  0.8091645     -4.256275      20.69596  -29.48082      18.55564      0.5679664      1.618329  
1 1 1 -31 19 8  o 3.629328  1.110904      28.69700       22.49049  34.41139       20.07863      -0.3409284     2.221808  
1 1 1 -31 21 1  o 3.228364  0.9780143     32.98720       17.37550  -8.605556      21.28620      1.514062       1.956029  
1 1 1 -31 21 2  o 3.765744  1.103481      27.72169       17.14236  33.45826       22.10288      -0.3674263E-01 2.206963  
1 1 1 -31 21 3  f 2.557919  0.8756868     -24.40855      19.78989  16.17235       21.72315      -0.9328327     1.751374  
1 1 1 -31 21 4  o 2.737655  0.9078417     -22.32949      19.56321  33.12024       22.03981      -1.435408      1.815683  
1 1 1 -31 21 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  4  o 18.76200  1.461946      364.9125       54.07080  364.9125       54.07080      ?              ?         
1 1 1 -30 0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  6  f 4.244840  1.282499      22.55655       9.494183  22.55655       9.494183      ?              ?         
1 1 1 -30 0  7  o 22.48298  1.277882      520.0082       57.03318  520.0082       57.03318      ?              ?         
1 1 1 -30 0  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  9  o 3.153487  1.487733      15.01618       10.59043  15.01618       10.59043      ?              ?         
1 1 1 -30 0  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 0  11 o 3.849323  1.579003      21.59377       11.99701  21.59377       11.99701      ?              ?         
1 1 1 -30 0  12 o 2.005307  1.301146      0.3614684      12.42458  0.3614684      12.42458      ?              ?         
1 1 1 -30 0  13 o 10.65353  0.9038033     119.6432       18.92620  119.6432       18.92620      ?              ?         
1 1 1 -30 0  14 f 2.333463  1.458762      5.704065       13.97016  5.704065       13.97016      ?              ?         
1 1 1 -30 0  15 o 5.832254  1.574204      45.30373       15.86757  45.30373       15.86757      ?              ?         
1 1 1 -30 0  16 o 6.945259  1.412799      61.47921       17.36616  61.47921       17.36616      ?              ?         
1 1 1 -30 0  17 o 4.879747  1.936250      44.42579       18.22510  44.42579       18.22510      ?              ?         
1 1 1 -30 0  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 2  1  o 14.18235  0.5800329     194.3518       23.14182  213.1370       23.16382      -0.6649012     1.160066  
1 1 1 -30 2  2  o 7.056311  0.4627908     49.35388       8.828105  51.90023       9.463137      -0.1741933     0.9255817 
1 1 1 -30 2  3  o 4.348004  0.6712272     21.94085       8.067404  17.67051       7.997408      0.4838880      1.342454  
1 1 1 -30 2  4  o 12.43961  0.6325291     156.9623       19.34817  159.3033       26.52363      -0.1176067E-01 1.265058  
1 1 1 -30 2  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 2  6  f 11.95535  0.8143912     164.8587       25.95837  128.5353       28.23168      1.585194       1.628782  
1 1 1 -30 2  7  o 15.44003  0.9835597     265.4781       41.54443  234.7589       43.37686      1.043075       1.967119  
1 1 1 -30 2  8  o 14.49749  0.9872860     251.4697       38.78598  191.2959       40.65516      2.154427       1.974572  
1 1 1 -30 2  9  o 5.606714  1.041813      33.30741       15.27696  36.88932       18.63720      -0.2488317     2.083626  
1 1 1 -30 2  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 2  11 o 3.479456  1.021774      10.98911       16.22110  -0.6644921     17.51666      0.5084975      2.043548  
1 1 1 -30 2  12 o 5.023430  1.072482      43.40612       17.57640  12.02937       18.96516      2.184328       2.144964  
1 1 1 -30 2  13 f 4.259236  1.140497      15.56799       17.82263  26.03411       20.26180      -0.6882844     2.280994  
1 1 1 -30 2  14 o 4.254701  1.040174      21.15702       16.33610  24.03639       14.43070      -0.2256216     2.080348  
1 1 1 -30 2  15 o 7.228944  0.8456410     64.74237       16.71647  63.77515       16.65568      0.6229103E-01  1.691282  
1 1 1 -30 2  16 f 3.548674  1.018795      16.35745       15.74437  20.01366       16.24858      -0.2095283     2.037589  
1 1 1 -30 2  17 o 3.043222  0.9604270     2.853920       17.22478  23.24001       17.72481      -0.8120183     1.920854  
1 1 1 -30 2  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 4  1  o 6.244929  0.4920606     28.73925       8.279502  50.87744       8.304456      -1.815233      0.9841212 
1 1 1 -30 4  2  o 2.682268  0.7112661     3.448594       6.956994  7.757093       7.834361      -0.5162206     1.422532  
1 1 1 -30 4  3  o 13.72151  0.5788997     191.0550       22.40008  191.4283       22.33025      -0.1433051E-01 1.157799  
1 1 1 -30 4  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 4  5  o 6.632894  0.5708180     51.25213       11.46651  39.91395       9.601665      0.8326797      1.141636  
1 1 1 -30 4  6  o 9.325928  0.5580260     101.6820       13.92321  74.63452       15.00531      1.486845       1.116052  
1 1 1 -30 4  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 4  8  o 21.50590  0.8854190     484.4711       53.56063  486.5655       53.68965      -0.4627911E-01 1.770838  
1 1 1 -30 4  9  f 3.380536  0.8812271     10.43554       10.84021  9.484025       11.40439      0.3892729E-01  1.762454  
1 1 1 -30 4  10 o 6.350157  1.160921      39.94552       17.67610  57.18703       26.10414      -1.009160      2.321842  
1 1 1 -30 4  11 o 9.046614  0.6062853     89.39650       15.15841  81.67728       15.47615      0.4405049      1.212571  
1 1 1 -30 4  12 o 10.81451  0.6193692     116.6188       18.64328  130.8755       18.87940      -0.6562857     1.238738  
1 1 1 -30 4  13 o 8.168660  0.7074473     74.75230       15.98786  72.43958       16.01625      0.1454540      1.414895  
1 1 1 -30 4  14 o 4.200460  1.140017      21.21448       15.98154  24.61288       23.72617      -0.2413535     2.280033  
1 1 1 -30 4  15 o 3.449941  1.038836      -17.95544      18.86459  41.49504       24.84468      -2.357659      2.077671  
1 1 1 -30 4  16 f 3.903278  1.186806      21.74311       20.70780  40.49484       27.31628      -0.6052645     2.373611  
1 1 1 -30 4  17 o 2.967064  1.011780      5.709103       22.45249  14.80061       28.72279      -0.2530549     2.023560  
1 1 1 -30 4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 6  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 6  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 6  3  o 10.73707  1.546846      ?              ?         122.9620       32.26013      ?              ?         
1 1 1 -30 6  4  o 11.97616  0.5426459     139.5662       18.44120  151.5959       18.11253      -0.5085301     1.085292  
1 1 1 -30 6  5  o 12.32613  0.5651289     159.8460       20.22902  150.1369       19.00445      0.3806571      1.130258  
1 1 1 -30 6  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 6  7  o 2.437822  0.7685118     -1.792756      10.55820  -5.858227      11.00822      0.1529223      1.537024  
1 1 1 -30 6  8  o 28.66502  1.324744      907.9944       115.0728  930.2298       100.0621      -0.8840750     2.649488  
1 1 1 -30 6  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 6  10 o 5.147347  0.8587961     29.67051       12.26720  29.15531       12.33385      0.4997393E-01  1.717592  
1 1 1 -30 6  11 o 5.198767  0.8797002     32.36643       12.54997  28.67264       13.04607      0.3558533      1.759400  
1 1 1 -30 6  12 o 3.737733  0.9616165     14.29612       13.04447  15.31735       13.28160      -0.8704489E-01 1.923233  
1 1 1 -30 6  13 o 3.668572  0.9210364     27.99014       14.05235  -2.257528      14.00042      2.024072       1.842073  
1 1 1 -30 6  14 o 5.287948  0.9554762     20.29455       15.10365  51.95517       15.71237      -2.515882      1.910952  
1 1 1 -30 6  15 o 2.858958  0.8849348     -14.43956      15.29149  19.25174       16.18172      -1.427070      1.769870  
1 1 1 -30 6  16 o 3.281089  0.9636477     -4.858163      16.75816  34.92411       17.90306      -1.802936      1.927295  
1 1 1 -30 6  17 o 2.801323  0.9269604     3.357484       17.65163  17.43370       19.26219      -0.4513226     1.853921  
1 1 1 -30 8  1  o 22.32783  0.8764091     503.0475       54.93199  530.3144       55.30194      -0.6071537     1.752818  
1 1 1 -30 8  2  o 4.598746  0.7014213     28.69627       8.747024  14.41965       9.601143      1.505996       1.402843  
1 1 1 -30 8  3  o 15.56680  0.6585041     226.8190       28.80846  268.4826       28.79908      -1.345799      1.317008  
1 1 1 -30 8  4  o 15.60617  0.6685632     251.6272       29.58571  248.1767       29.16286      0.1050874      1.337126  
1 1 1 -30 8  5  o 21.85368  2.178814      490.3911       128.9033  701.7976       129.6083      -4.960791      4.357627  
1 1 1 -30 8  6  o 5.143163  0.7792401     21.07335       11.63961  34.06023       10.79392      -1.254759      1.558480  
1 1 1 -30 8  7  o 13.27045  0.6299683     173.0531       23.13251  190.1868       23.86322      -0.6357275     1.259937  
1 1 1 -30 8  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 8  9  o 4.389402  0.9241590     21.72570       12.11784  20.83422       12.55745      0.8010681E-01  1.848318  
1 1 1 -30 8  10 o 10.96082  0.6222491     133.0160       18.67606  118.6744       19.56766      0.6872875      1.244498  
1 1 1 -30 8  11 o 11.06983  0.6327118     136.7727       19.36670  123.7874       19.88891      0.6113584      1.265424  
1 1 1 -30 8  12 o 4.564065  0.9692236     33.43667       14.03948  16.24697       14.22748      1.432053       1.938447  
1 1 1 -30 8  13 o 6.267599  0.9140303     49.00323       15.62525  47.77970       15.70642      0.1047194      1.828061  
1 1 1 -30 8  14 o 3.130841  0.9532076     3.380018       15.24539  12.66397       15.66090      -0.4765108     1.906415  
1 1 1 -30 8  15 o 3.074764  0.9333376     23.36785       16.03392  -7.230906      16.85355      1.303064       1.866675  
1 1 1 -30 8  16 f 2.497758  0.8501709     -2.782551      16.78048  -5.482710      18.79485      -0.1989164E-01 1.700342  
1 1 1 -30 8  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 10 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 10 2  f 19.52660  0.7958606     380.6649       43.51479  410.5996       43.98259      -0.7614646     1.591721  
1 1 1 -30 10 3  o 17.06842  0.7664186     300.7010       34.53504  304.5092       39.60058      -0.2210847E-01 1.532837  
1 1 1 -30 10 4  o 7.558192  0.6080174     47.25381       12.90625  69.71310       12.27178      -1.537682      1.216035  
1 1 1 -30 10 5  o 26.40316  1.080858      765.8052       80.64648  742.0574       80.08529      0.4361915      2.161717  
1 1 1 -30 10 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 10 7  o 3.480439  1.014135      5.311528       16.07303  7.026167       16.18836      -0.1037919     2.028270  
1 1 1 -30 10 8  o 8.827062  0.6378216     76.16323       15.05389  87.87508       16.36259      -0.6326988     1.275643  
1 1 1 -30 10 9  o 5.865751  0.8564337     38.54711       13.46332  38.66742       14.03473      0.1513261E-01  1.712867  
1 1 1 -30 10 10 o 7.288905  0.7523933     58.76439       14.45779  58.39429       15.73501      0.9138224E-01  1.504787  
1 1 1 -30 10 11 o 6.755992  0.8143364     53.29264       14.67243  51.17305       15.36153      0.2057596      1.628673  
1 1 1 -30 10 12 o 2.811594  0.8883918     3.990929       14.53295  -4.588109      14.62557      0.3694574      1.776784  
1 1 1 -30 10 13 o 3.567359  1.007877      14.52924       15.31481  16.27963       15.42890      -0.1088238     2.015754  
1 1 1 -30 10 14 o 2.725694  0.8909628     -2.912252      15.98692  2.835265       16.37185      -0.2237795     1.781926  
1 1 1 -30 10 15 o 3.463459  0.9893938     0.1546699      17.03468  40.61687       18.21025      -1.925008      1.978788  
1 1 1 -30 10 16 o 2.490203  0.8588495     -13.67866      18.76627  12.51336       21.14532      -0.6170596     1.717699  
1 1 1 -30 12 1  o 5.401031  0.7363776     38.35547       10.23011  21.51038       12.14485      1.604082       1.472755  
1 1 1 -30 12 2  o 18.63253  0.8291942     384.4553       46.50076  349.5428       40.89088      0.8110380      1.658388  
1 1 1 -30 12 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 12 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 12 5  o 11.35407  0.6339885     115.8274       20.97035  150.6430       19.20206      -1.595404      1.267977  
1 1 1 -30 12 6  o 9.828216  0.6253337     94.68999       17.40400  106.7866       16.95323      -0.6344588     1.250667  
1 1 1 -30 12 7  o 6.333942  0.8093901     51.94955       14.20502  35.55770       13.65277      1.300589       1.618780  
1 1 1 -30 12 8  o 2.950924  0.8850656     -6.033734      13.14126  10.24289       13.89363      -0.9416653     1.770131  
1 1 1 -30 12 9  o 9.836110  0.6805260     110.8425       18.14613  97.92310       19.21473      0.7149576      1.361052  
1 1 1 -30 12 10 o 5.855566  0.9374357     37.79821       14.49250  45.53011       15.87753      -0.5505273     1.874871  
1 1 1 -30 12 11 o 2.422872  0.8090016     -4.247599      14.02449  -18.71194      15.57889      0.3135322      1.618003  
1 1 1 -30 12 12 o 4.351383  1.002010      10.97579       15.62072  40.77100       15.94744      -2.120755      2.004020  
1 1 1 -30 12 13 o 4.433622  1.091263      33.90575       16.71779  30.16134       16.90845      0.2809782      2.182526  
1 1 1 -30 12 14 o 4.143081  0.8931347     60.92427       17.46429  -21.09848      18.39881      4.018215       1.786269  
1 1 1 -30 12 15 o 2.648890  0.8962333     10.12401       18.48745  -2.292490      20.03072      0.2773475      1.792467  
1 1 1 -30 14 1  o 6.467700  0.7224535     40.38367       11.82262  49.99844       13.84964      -0.6837576     1.444907  
1 1 1 -30 14 2  o 6.129866  0.7839104     41.51439       11.69950  39.69291       15.41461      0.2938538      1.567821  
1 1 1 -30 14 3  o 6.748875  0.8003071     33.66756       15.44548  63.52404       13.91571      -2.331455      1.600614  
1 1 1 -30 14 4  o 4.044076  0.9319538     26.09588       13.11636  8.167573       12.89060      1.476866       1.863908  
1 1 1 -30 14 5  o 9.668139  0.6570557     91.22729       18.84814  105.6522       16.73746      -0.8336549     1.314111  
1 1 1 -30 14 6  o 5.529942  0.9076724     46.78933       14.61388  23.01574       14.06876      2.000974       1.815345  
1 1 1 -30 14 7  o 12.11432  0.6686324     176.4447       23.16185  140.1853       22.14140      1.465651       1.337265  
1 1 1 -30 14 8  o 6.096505  0.9023485     37.76253       15.36173  49.40463       14.91529      -0.9819281     1.804697  
1 1 1 -30 14 9  o 3.378750  0.9635304     -1.271795      14.78978  21.11960       15.82257      -1.315357      1.927061  
1 1 1 -30 14 10 o 3.375033  0.9846876     6.764848       14.58582  16.55438       16.25619      -0.6136480     1.969375  
1 1 1 -30 14 11 o 7.211370  0.9181048     63.74560       17.25050  72.68661       18.88787      -0.4299109     1.836210  
1 1 1 -30 14 12 o 4.133802  0.9917571     48.06841       17.12575  3.290800       16.99967      2.698049       1.983514  
1 1 1 -30 14 13 o 3.124642  0.9472433     -9.498680      17.63721  35.42719       18.40815      -1.767102      1.894487  
1 1 1 -30 14 14 o 2.657917  0.8912900     -32.54931      23.05143  30.10984       20.45113      -1.269268      1.782580  
1 1 1 -30 16 1  o 2.299661  0.7716843     -14.54760      12.44692  -11.20430      14.72684      -0.3568645     1.543369  
1 1 1 -30 16 2  o 9.526736  0.6371191     91.07796       16.27804  103.5951       17.67821      -0.6068538     1.274238  
1 1 1 -30 16 3  o 5.865937  0.9516605     39.75822       16.10931  41.40784       14.91627      -0.2007183     1.903321  
1 1 1 -30 16 4  o 3.984150  0.9978030     33.21311       17.15879  2.052883       14.39371      2.160811       1.995606  
1 1 1 -30 16 5  f 5.417294  0.9924803     47.98232       16.46715  24.08820       15.16406      1.889803       1.984961  
1 1 1 -30 16 6  o 4.298494  1.040177      25.93523       15.53441  20.33229       15.00508      0.4245285      2.080355  
1 1 1 -30 16 7  o 5.884363  0.9054790     18.36672       17.06818  66.27325       15.61791      -3.676686      1.810958  
1 1 1 -30 16 8  o 4.986928  1.039878      26.70062       16.37928  40.75463       15.80649      -1.151303      2.079756  
1 1 1 -30 16 9  f 5.159243  1.080555      48.40221       17.04351  29.19041       18.55799      1.539407       2.161109  
1 1 1 -30 16 10 f 3.686893  1.020850      32.28057       16.60068  6.439312       17.44403      1.435538       2.041700  
1 1 1 -30 16 11 o 3.825855  1.084001      32.96204       17.65042  20.60225       19.04077      0.7210410      2.168001  
1 1 1 -30 16 12 o 2.826566  0.8888505     -29.46958      18.26108  38.69055       19.95275      -2.026845      1.777701  
1 1 1 -30 16 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 18 1  f 2.722320  0.8694862     6.838339       13.54288  -23.53720      18.08317      0.7118132      1.738972  
1 1 1 -30 18 2  o 4.341805  0.9150980     37.97490       13.60208  2.424053       15.97390      2.547608       1.830196  
1 1 1 -30 18 3  f 5.284918  1.044248      45.24472       16.64392  28.15969       16.59920      1.353059       2.088495  
1 1 1 -30 18 4  o 4.091026  1.069270      26.68488       16.57475  17.17319       16.59632      0.6335664      2.138541  
1 1 1 -30 18 5  o 3.069801  0.9248366     -16.40986      16.87922  20.99389       16.39061      -1.554245      1.849673  
1 1 1 -30 18 6  o 8.017035  0.8911113     83.76455       20.16797  79.95091       18.96792      0.1066039      1.782223  
1 1 1 -30 18 7  f 2.770914  0.8883612     16.89427       17.97671  -17.87961      16.07561      1.317426       1.776722  
1 1 1 -30 18 8  o 3.017397  0.9638929     2.633727       17.86832  11.20883       17.42594      -0.3105693     1.927786  
1 1 1 -30 18 9  o 5.330889  1.137777      65.31348       19.77081  38.63794       19.08684      1.792649       2.275555  
1 1 1 -30 18 10 o 2.518279  0.8641971     -4.203537      18.94082  -5.456206      19.61338      0.2186952E-02  1.728394  
1 1 1 -30 18 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 20 1  o 4.534765  1.022518      43.80866       15.89326  15.70279       17.29654      2.044010       2.045036  
1 1 1 -30 20 2  o 2.833283  0.9168469     8.625126       15.93906  -9.054992      18.24212      0.4969047      1.833694  
1 1 1 -30 20 3  o 4.201557  1.119269      28.99672       17.75524  29.90634       18.48318      -0.2517861E-01 2.238538  
1 1 1 -30 20 4  o 3.981682  1.053353      5.954450       18.31022  45.08920       18.77520      -2.128489      2.106706  
1 1 1 -30 20 5  o 2.946431  0.9592854     -6.384236      19.99804  14.96236       18.30642      -0.6288365     1.918571  
1 1 1 -30 20 6  o 2.691581  0.9033729     -1.203248      19.31662  -0.1504046E-01 17.86556      0.2492138E-01  1.806746  
1 1 1 -30 20 7  o 2.721728  0.9142474     9.766883       20.18974  -2.674099      18.11960      0.3969339      1.828495  
1 1 1 -30 20 8  o 2.602478  0.8922176     -0.2373655     20.95657  0.7788740      19.89211      0.5583719E-02  1.784435  
1 1 1 -30 20 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -30 22 1  o 3.756742  1.104986      27.82156       17.68640  37.06003       21.40628      -0.2368387     2.209972  
1 1 1 -30 22 2  o 3.013950  0.9792578     22.54795       18.48365  3.398433       21.33867      0.5901749      1.958516  
1 1 1 -30 22 3  o 3.150917  1.036458      23.40011       23.32569  17.83731       21.46043      0.1434474      2.072916  
1 1 1 -30 22 4  o 3.100868  1.004069      6.176481       19.58106  37.67578       21.93559      -0.9796794     2.008139  
1 1 1 -30 22 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 1  1  f 8.412718  0.5954911     78.69077       13.97758  65.05200       13.89538      0.8210949      1.190982  
1 1 1 -29 1  2  o 18.43367  1.243582      397.6050       77.98189  332.7365       55.13296      1.407724       2.487165  
1 1 1 -29 1  3  o 27.34058  1.565779      905.6170       119.7655  699.8767       119.0227      3.790334       3.131558  
1 1 1 -29 1  4  o 17.55087  1.011625      343.9363       49.97704  294.1194       49.39531      1.424065       2.023249  
1 1 1 -29 1  5  o 3.153295  0.8064303     -0.1759473     9.600830  15.47729       10.51139      -1.383975      1.612861  
1 1 1 -29 1  6  o 14.68083  0.9479091     260.2397       37.75250  185.6254       39.28919      2.606813       1.895818  
1 1 1 -29 1  7  o 8.373967  0.7283009     70.51459       16.06769  75.19536       17.83393      -0.2509877     1.456602  
1 1 1 -29 1  8  o 4.297295  0.9718247     16.36572       12.40015  22.28750       14.48395      -0.5725071     1.943649  
1 1 1 -29 1  9  o 6.863351  0.8090860     72.48239       21.02648  34.37690       10.89964      2.518174       1.618172  
1 1 1 -29 1  10 o 5.699101  0.6916799     34.37661       10.75616  34.33530       10.74014      0.3231775E-02  1.383360  
1 1 1 -29 1  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 1  12 o 11.41463  0.5902259     145.5443       18.91717  125.2086       18.86435      0.8961626      1.180452  
1 1 1 -29 1  13 o 6.771845  0.7312278     50.33141       13.50800  49.94681       13.61712      0.3422906E-01  1.462456  
1 1 1 -29 1  14 o 5.568512  0.8608761     49.20184       13.63160  22.24894       13.77606      2.313017       1.721752  
1 1 1 -29 1  15 o 10.39026  0.6649839     120.2553       19.27387  121.0509       19.38895      -0.3126904E-01 1.329968  
1 1 1 -29 1  16 o 3.306060  0.8903450     -12.06354      14.75503  29.62106       14.75833      -2.226310      1.780690  
1 1 1 -29 1  17 o 3.447995  1.009445      17.36492       15.96006  19.59861       16.21074      -0.1200669     2.018889  
1 1 1 -29 3  1  o 7.460813  0.4144062     62.36036       8.693241  49.89855       8.595609      0.8421143      0.8288124 
1 1 1 -29 3  2  o 7.010924  0.4327336     45.97301       8.187592  53.71700       8.795336      -0.5501753     0.8654671 
1 1 1 -29 3  3  o 22.48508  0.8780496     517.9429       55.63643  520.0490       55.61296      -0.4722891E-01 1.756099  
1 1 1 -29 3  4  o 12.04631  0.5213794     140.1276       17.66181  153.4080       17.67397      -0.5536984     1.042759  
1 1 1 -29 3  5  o 13.15479  0.5561165     166.8282       20.80184  183.5556       20.37160      -0.6429418     1.112233  
1 1 1 -29 3  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 3  7  o 18.13086  0.7359297     326.8721       37.42065  347.7414       37.71762      -0.5738333     1.471859  
1 1 1 -29 3  8  o 7.342865  0.5849796     74.13391       11.48592  37.58361       11.37002      2.548959       1.169959  
1 1 1 -29 3  9  o 15.89347  0.8697234     283.3539       35.25635  240.3380       43.00343      1.533908       1.739447  
1 1 1 -29 3  10 o 12.25020  0.8361265     166.6017       28.21589  149.4337       28.94908      0.7273961      1.672253  
1 1 1 -29 3  11 o 3.635751  1.118743      3.389617       20.92991  -2.317263      22.21604      0.1351065      2.237485  
1 1 1 -29 3  12 o 11.64991  0.8780968     136.5582       27.66825  160.3905       29.22141      -0.9755481     1.756194  
1 1 1 -29 3  13 o 3.126734  0.9635178     10.26752       16.02254  -13.70146      18.11877      0.8488616      1.927036  
1 1 1 -29 3  14 o 7.126451  1.092062      49.85239       19.45415  79.56364       23.50415      -1.743124      2.184124  
1 1 1 -29 3  15 o 2.879744  0.9526404     -2.918636      17.24265  -13.81434      22.19569      -0.9339652E-02 1.905281  
1 1 1 -29 3  16 o 4.580264  1.228530      33.89104       19.74397  40.53838       24.70375      -0.1396923     2.457060  
1 1 1 -29 3  17 o 4.125044  1.154154      54.07499       21.61558  12.69763       25.73040      1.919551       2.308307  
1 1 1 -29 5  1  o 16.05379  0.6450472     260.8656       29.16503  262.8924       29.17277      -0.6326582E-01 1.290094  
1 1 1 -29 5  2  f 24.36498  0.9307247     587.1299       63.72654  635.4615       64.01379      -0.9920111     1.861449  
1 1 1 -29 5  3  o 8.243486  0.4589688     67.84364       10.64840  69.81733       10.58018      -0.1212111     0.9179376 
1 1 1 -29 5  4  o 8.787306  0.4685631     87.11493       11.82441  69.34566       11.22971      1.012754       0.9371261 
1 1 1 -29 5  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 5  6  o 18.37423  0.7958102     356.0029       38.71526  337.0078       44.10185      0.5937722      1.591620  
1 1 1 -29 5  7  o 33.72992  1.416036      1210.094       134.3139  1285.058       134.5591      -1.109755      2.832072  
1 1 1 -29 5  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 5  9  o 23.94404  0.9916325     619.8868       66.76624  601.3162       66.94710      0.3934536      1.983265  
1 1 1 -29 5  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 5  11 o 4.990633  0.8135256     36.08455       11.50484  17.22364       11.85478      1.777654       1.627051  
1 1 1 -29 5  12 o 2.762423  0.8335556     -3.910981      11.74044  6.221038       11.84371      -0.5927733     1.667111  
1 1 1 -29 5  13 o 3.738037  0.9306695     22.06957       12.94911  7.550867       12.61798      1.150040       1.861339  
1 1 1 -29 5  14 o 5.345756  0.9306232     33.98344       13.84716  36.14554       14.10753      -0.1739921     1.861246  
1 1 1 -29 5  15 o 3.872363  0.9856956     10.50800       14.10640  28.33345       14.85904      -1.277563      1.971391  
1 1 1 -29 5  16 o 6.376976  0.9410355     40.58718       15.97410  70.94791       17.26088      -2.182818      1.882071  
1 1 1 -29 5  17 o 2.463588  0.8275906     9.313046       16.28220  -19.89042      17.08137      0.7604885      1.655181  
1 1 1 -29 5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 7  1  o 2.164451  0.6481937     2.744602       6.687717  -3.192343      7.385282      0.3430269      1.296387  
1 1 1 -29 7  2  o 6.636243  0.4812391     49.85558       8.386952  38.66382       9.384152      0.8761047      0.9624783 
1 1 1 -29 7  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 7  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 7  5  o 3.138499  0.7554510     1.917233       9.121682  14.23183       8.271683      -1.099522      1.510902  
1 1 1 -29 7  6  o 9.483595  0.5198871     107.5818       13.99003  75.78856       13.45547      1.685907       1.039774  
1 1 1 -29 7  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 7  8  o 12.78747  0.5862763     168.6985       20.76198  166.5458       21.43368      0.9494082E-01  1.172553  
1 1 1 -29 7  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 7  10 o 3.582044  0.8920771     11.66409       11.04202  13.53368       11.43591      -0.1823737     1.784154  
1 1 1 -29 7  11 o 2.621329  0.8134493     -1.397076      11.22063  -0.9838224     11.96138      -0.1035094     1.626899  
1 1 1 -29 7  12 o 9.978035  0.6196424     101.1925       17.29484  110.2534       17.29895      -0.4580340     1.239285  
1 1 1 -29 7  13 o 8.078488  0.6939335     69.01740       15.54667  74.80533       15.48832      -0.3677016     1.387867  
1 1 1 -29 7  14 o 6.420495  0.8596929     40.30278       14.74222  58.25774       15.31895      -1.374189      1.719386  
1 1 1 -29 7  15 o 3.482262  0.9047714     30.86697       14.33480  -8.722897      15.32426      2.222341       1.809543  
1 1 1 -29 7  16 o 3.934834  1.006513      37.50308       15.53937  10.62912       17.01550      1.729568       2.013025  
1 1 1 -29 7  17 o 3.336548  1.005906      31.06915       16.99901  11.58808       18.40184      0.9203629      2.011811  
1 1 1 -29 7  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 9  1  o 15.96142  0.6411145     242.9117       28.40591  276.7558       29.18464      -1.055687      1.282229  
1 1 1 -29 9  2  o 13.33207  0.5693228     188.1107       21.20410  173.0573       21.51278      0.5706338      1.138646  
1 1 1 -29 9  3  o 11.50986  0.5271168     129.2237       16.99192  139.9282       17.12577      -0.4657817     1.054234  
1 1 1 -29 9  4  o 20.30257  0.8234192     415.6044       47.15490  437.5863       46.99403      -0.5458534     1.646838  
1 1 1 -29 9  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 9  6  o 13.19246  0.5969502     172.5781       22.29748  183.6258       22.00530      -0.4250275     1.193900  
1 1 1 -29 9  7  o 8.778753  0.5778044     85.57201       13.80971  72.12275       14.50889      0.7899485      1.155609  
1 1 1 -29 9  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 9  9  o 19.43824  0.8226583     410.4644       44.81224  393.1714       45.21780      0.4578804      1.645317  
1 1 1 -29 9  10 o 4.600855  0.8983293     23.89220       11.36007  23.72106       12.97975      0.3556405E-01  1.796659  
1 1 1 -29 9  11 o 9.033688  0.6473835     110.6303       15.66336  63.68747       15.90243      2.661524       1.294767  
1 1 1 -29 9  12 o 17.66997  0.8054625     374.1243       40.07345  324.5795       39.87256      1.399602       1.610925  
1 1 1 -29 9  13 o 7.551368  0.7578298     56.43622       15.54810  73.29794       15.72152      -1.135650      1.515660  
1 1 1 -29 9  14 o 3.649362  0.9936714     12.63870       14.30353  21.16365       14.95631      -0.5757479     1.987343  
1 1 1 -29 9  15 o 2.994807  0.9304925     14.11098       15.07339  -0.1617864     16.29019      0.5869735      1.860985  
1 1 1 -29 9  16 o 2.303373  0.7923126     -1.977356      15.76231  -22.59507      17.95462      0.3404192      1.584625  
1 1 1 -29 9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 11 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 11 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 11 3  o 12.31026  0.5771643     152.5646       20.31291  157.2789       19.66396      -0.2016852     1.154329  
1 1 1 -29 11 4  o 22.27234  0.9108368     487.4399       57.10092  555.3558       57.02213      -1.533751      1.821674  
1 1 1 -29 11 5  o 16.58836  0.6927972     289.2141       32.93288  280.4264       31.81172      0.2457561      1.385594  
1 1 1 -29 11 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 11 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 11 8  o 5.636918  0.7910155     48.72463       12.21016  19.39006       12.88236      2.565895       1.582031  
1 1 1 -29 11 9  o 6.786387  0.7381031     58.05837       13.31543  40.04239       13.95251      1.400019       1.476206  
1 1 1 -29 11 10 o 4.243227  0.9495890     23.85371       12.31240  16.46346       13.82729      0.6245440      1.899178  
1 1 1 -29 11 11 o 8.222996  0.6883388     72.43501       15.32166  76.25176       16.09931      -0.1945729     1.376678  
1 1 1 -29 11 12 o 4.783173  0.9653987     37.53765       14.20728  19.33149       14.45861      1.537354       1.930797  
1 1 1 -29 11 13 o 5.098711  1.009254      36.83348       15.00639  33.98994       15.29612      0.2627881      2.018507  
1 1 1 -29 11 14 o 2.601210  0.8449316     10.53722       15.17174  -18.18613      15.93774      0.9389959      1.689863  
1 1 1 -29 11 15 f 3.059764  0.9613333     14.17352       16.08751  9.363412       17.45447      0.1812476      1.922667  
1 1 1 -29 11 16 o 4.238122  1.133262      49.69108       18.40746  37.38012       20.39212      0.9495735      2.266525  
1 1 1 -29 13 1  o 19.42002  0.7882106     371.7386       42.75889  416.5891       43.38655      -1.146574      1.576421  
1 1 1 -29 13 2  o 15.08805  0.6525349     240.9207       27.42015  229.3663       28.00421      0.3954288      1.305070  
1 1 1 -29 13 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 13 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 13 5  o 5.974435  0.7994775     41.15471       14.00187  36.78949       12.18989      0.3052596      1.598955  
1 1 1 -29 13 6  o 4.175153  0.9263316     22.38297       12.38613  15.53770       12.18188      0.6192042      1.852663  
1 1 1 -29 13 7  o 6.022173  0.7986869     36.58084       13.47404  42.65377       12.78838      -0.5427204     1.597374  
1 1 1 -29 13 8  o 9.939354  0.6490806     122.3976       17.30861  86.54507       18.32863      1.872399       1.298161  
1 1 1 -29 13 9  o 3.562664  0.9104264     -2.277374      12.98579  25.39871       14.03656      -1.943414      1.820853  
1 1 1 -29 13 10 o 5.166255  0.9640949     29.51778       13.56230  36.53088       15.10397      -0.5321633     1.928190  
1 1 1 -29 13 11 o 3.977183  0.7524374     44.07322       13.54892  -32.98169      15.27610      4.138028       1.504875  
1 1 1 -29 13 12 o 3.591670  1.001438      17.39099       14.96856  14.66513       15.03360      0.1719617      2.002877  
1 1 1 -29 13 13 o 2.595363  0.8562699     2.771969       15.32709  -9.256851      15.98740      0.3614783      1.712540  
1 1 1 -29 13 14 o 2.501168  0.8433063     2.411672       16.16758  -11.80318      17.42429      0.3275992      1.686613  
1 1 1 -29 13 15 o 2.718243  0.9076076     -2.001892      17.49027  19.31781       19.74298      -0.6482467     1.815215  
1 1 1 -29 15 1  o 11.05472  0.6329402     125.0922       20.26987  130.1541       19.02290      -0.2634938     1.265880  
1 1 1 -29 15 2  o 6.541949  0.7006628     47.39535       11.94998  43.66026       13.26799      0.3424282      1.401326  
1 1 1 -29 15 3  o 4.057265  0.9170679     5.170858       13.73858  26.91786       12.57250      -1.690279      1.834136  
1 1 1 -29 15 4  o 2.696612  0.8390478     -6.167507      12.65886  2.641075       12.50703      -0.4263343     1.678096  
1 1 1 -29 15 5  o 9.747702  0.6641900     123.2663       18.78567  79.94124       16.99188      2.189536       1.328380  
1 1 1 -29 15 6  o 3.461793  0.9411755     16.20871       13.43266  5.066065       13.20099      0.7844891      1.882351  
1 1 1 -29 15 7  o 7.330955  0.7722418     47.48321       15.79130  70.50047       14.97619      -1.671659      1.544484  
1 1 1 -29 15 8  o 3.302546  0.9114157     -2.970701      13.66137  19.74818       13.60332      -1.405353      1.822831  
1 1 1 -29 15 9  o 4.087504  0.9678346     32.15091       14.31660  5.996477       15.31456      1.860018       1.935669  
1 1 1 -29 15 10 f 7.027150  0.8696257     70.64716       16.05064  48.69106       17.40766      1.737607       1.739251  
1 1 1 -29 15 11 o 4.164008  1.055818      29.24861       15.35912  21.80311       16.82461      0.5688039      2.111636  
1 1 1 -29 15 12 o 4.603575  1.090987      30.14406       17.03381  41.34322       16.96706      -0.8216795     2.181974  
1 1 1 -29 15 13 o 2.644469  0.8768669     12.08801       16.86720  -9.551805      17.44855      0.6374511      1.753734  
1 1 1 -29 15 14 o 3.408759  1.141624      25.13425       27.51430  64.23489       31.83713      -0.7276949     2.283247  
1 1 1 -29 17 1  o 2.361888  0.7826403     -7.431886      12.13178  -14.06013      14.38740      -0.9295622E-02 1.565281  
1 1 1 -29 17 2  o 6.281657  0.8068132     39.70414       12.97154  49.76896       14.67869      -0.7184803     1.613626  
1 1 1 -29 17 3  o 8.319177  0.7631716     96.50067       18.15106  57.34515       16.29148      2.315374       1.526343  
1 1 1 -29 17 4  o 2.779981  0.8762490     -9.107109      14.55545  4.593410       14.11514      -0.5650470     1.752498  
1 1 1 -29 17 5  o 2.924439  0.9023853     -6.590804      15.08108  7.979223       14.03131      -0.6044870     1.804771  
1 1 1 -29 17 6  o 8.486963  0.7428533     80.84975       17.73327  82.51514       17.17848      -0.1369557     1.485707  
1 1 1 -29 17 7  o 2.810933  0.8555321     17.20368       15.68319  -18.89176      14.03654      1.671563       1.711064  
1 1 1 -29 17 8  o 2.452624  0.7784331     13.52024       15.26728  -40.07403      14.93370      1.694549       1.556866  
1 1 1 -29 17 9  o 2.712132  0.8903401     1.043056       15.76798  -7.469382      17.28049      0.1907157      1.780680  
1 1 1 -29 17 10 f 4.196464  1.091359      26.84737       16.38983  32.50623       17.72515      -0.3054384     2.182719  
1 1 1 -29 17 11 o 4.112552  1.112935      31.37484       17.41453  34.61874       18.79347      -0.1007518     2.225869  
1 1 1 -29 17 12 f 3.975357  1.089316      19.08974       18.70160  55.30170       20.02538      -1.811954      2.178631  
1 1 1 -29 17 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 19 1  o 3.181182  0.9424653     3.888559       13.61681  12.15925       15.22225      -0.5514958     1.884931  
1 1 1 -29 19 2  o 4.525970  1.059690      26.17620       15.67671  28.67733       15.93195      -0.1855152     2.119380  
1 1 1 -29 19 3  o 2.586584  0.8334160     -24.74226      15.27135  9.421136       15.61699      -1.212406      1.666832  
1 1 1 -29 19 4  o 4.731483  1.085932      34.49459       16.61060  28.68752       16.79429      0.4495195      2.171863  
1 1 1 -29 19 5  o 6.358768  0.9971118     50.87154       18.24026  56.92064       16.92065      -0.6128314     1.994224  
1 1 1 -29 19 6  o 3.260863  0.9867238     14.52331       16.81531  7.395450       15.73077      0.3861153      1.973448  
1 1 1 -29 19 7  o 3.853617  1.065436      28.70653       17.83183  18.34171       16.13191      0.5910401      2.130872  
1 1 1 -29 19 8  o 3.649061  1.053407      22.60165       17.68847  21.37713       16.72231      0.4839854E-01  2.106815  
1 1 1 -29 19 9  o 2.715262  0.8973169     15.88859       18.33496  -10.48233      17.53451      0.8309270      1.794634  
1 1 1 -29 19 10 o 2.579277  0.8778635     3.252991       18.39944  -3.593685      19.52811      0.1302821      1.755727  
1 1 1 -29 19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 21 1  o 5.983889  1.033995      45.59549       16.00683  61.36768       18.89685      -0.8398691     2.067991  
1 1 1 -29 21 2  o 4.109971  1.086304      28.24431       15.94728  27.46205       18.39202      0.1592429      2.172608  
1 1 1 -29 21 3  f 4.601056  1.128334      41.95586       17.75185  31.69273       18.85513      0.7847306      2.256668  
1 1 1 -29 21 4  o 3.285865  0.9832900     24.61275       15.89634  2.248185       18.35241      1.001855       1.966580  
1 1 1 -29 21 5  o 2.853774  0.9261417     -17.85043      20.26215  21.25196       18.11322      -1.102713      1.852283  
1 1 1 -29 21 6  o 2.793126  0.8983845     26.71972       18.60112  -16.62823      17.65581      1.406335       1.796769  
1 1 1 -29 21 7  o 2.631717  0.8926927     8.286046       20.04678  -3.990956      18.35280      0.3546247      1.785385  
1 1 1 -29 21 8  o 2.673418  1.372744      ?              ?         -32.02192      49.75949      ?              ?         
1 1 1 -29 23 1  o 2.936632  0.9454983     24.29084       16.64977  -2.750366      21.78027      0.8225303      1.890997  
1 1 1 -29 23 2  o 2.169763  0.7663512     -13.64183      18.11142  -29.10339      21.01170      0.9747447E-01  1.532702  
1 1 1 -29 23 3  o 2.910846  1.495671      ?              ?         10.14771       60.23724      ?              ?         
1 1 1 -29 23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -29 23 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 0  4  o 9.022796  0.9461879     84.53439       16.60459  84.53439       16.60459      ?              ?         
1 1 1 -28 0  5  o 1.255721  0.8568643     -4.037578      6.686805  -4.037578      6.686805      ?              ?         
1 1 1 -28 0  6  o 13.02512  0.7670897     172.2059       19.82274  172.2059       19.82274      ?              ?         
1 1 1 -28 0  7  o 15.81994  0.9270912     254.7529       29.10038  254.7529       29.10038      ?              ?         
1 1 1 -28 0  8  o 10.66456  0.8088451     116.4273       17.01809  116.4273       17.01809      ?              ?         
1 1 1 -28 0  9  o 2.089753  1.209662      5.533877       8.218081  5.533877       8.218081      ?              ?         
1 1 1 -28 0  10 o 3.863187  1.305667      19.55849       9.022676  19.55849       9.022676      ?              ?         
1 1 1 -28 0  11 o 2.837467  1.413468      12.24937       9.736438  12.24937       9.736438      ?              ?         
1 1 1 -28 0  12 o 9.832590  0.8046507     99.93815       15.57163  99.93815       15.57163      ?              ?         
1 1 1 -28 0  13 o 10.10966  0.8295592     106.2394       16.50449  106.2394       16.50449      ?              ?         
1 1 1 -28 0  14 f 2.437432  1.431204      8.194956       11.77419  8.194956       11.77419      ?              ?         
1 1 1 -28 0  15 o 1.657402  1.143379      -7.709437      12.67078  -7.709437      12.67078      ?              ?         
1 1 1 -28 0  16 o 6.510218  1.295364      51.22943       14.97852  51.22943       14.97852      ?              ?         
1 1 1 -28 0  17 o 4.207752  1.780950      31.01934       15.15811  31.01934       15.15811      ?              ?         
1 1 1 -28 0  18 o 4.217775  1.870086      35.59740       16.63716  35.59740       16.63716      ?              ?         
1 1 1 -28 0  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 2  1  o 3.228527  0.5647487     4.445999       6.149804  15.39804       5.187278      -1.404458      1.129497  
1 1 1 -28 2  2  o 14.51556  0.5638530     202.6042       22.88827  223.1836       23.20284      -0.7092994     1.127706  
1 1 1 -28 2  3  o 28.98264  1.129046      918.2205       92.19660  820.7825       92.02466      1.686023       2.258091  
1 1 1 -28 2  4  o 14.74937  0.6946087     221.2648       25.02837  221.6656       35.06820      0.8246120E-01  1.389217  
1 1 1 -28 2  5  o 24.57285  1.425633      677.6904       98.13201  607.9803       98.07718      1.429541       2.851266  
1 1 1 -28 2  6  o 8.693218  0.6718846     72.46655       14.95142  83.88659       17.84899      -0.6211165     1.343769  
1 1 1 -28 2  7  o 17.79344  1.059052      344.8310       52.43240  317.4478       53.11105      0.7871506      2.118104  
1 1 1 -28 2  8  o 8.009301  0.7274633     74.01878       15.11708  56.67712       17.04259      1.154633       1.454927  
1 1 1 -28 2  9  o 3.734059  0.8674141     22.54476       11.51272  1.141914       12.22321      1.696742       1.734828  
1 1 1 -28 2  10 o 4.664112  0.9159796     32.37003       12.87654  11.53737       14.07816      1.756077       1.831959  
1 1 1 -28 2  11 o 8.493855  0.7907280     74.24847       18.35120  78.61201       18.71157      -0.2516454     1.581456  
1 1 1 -28 2  12 o 5.748237  0.9849277     43.87088       15.60490  28.63515       16.82801      1.260736       1.969855  
1 1 1 -28 2  13 o 10.88191  0.8634230     135.3573       25.27526  123.6487       26.97319      0.6189674      1.726846  
1 1 1 -28 2  14 o 4.963597  0.9321216     32.42221       13.90772  25.99193       12.76792      0.5406334      1.864243  
1 1 1 -28 2  15 o 3.390413  0.9262140     15.57674       12.78333  7.361436       12.83657      0.5766502      1.852428  
1 1 1 -28 2  16 o 3.913581  0.9632720     27.72325       13.62732  11.47763       13.96656      1.230971       1.926544  
1 1 1 -28 2  17 o 5.335124  0.9904259     32.33348       15.22828  50.94167       15.73763      -1.480913      1.980852  
1 1 1 -28 2  18 o 2.314339  0.7872792     -23.63928      16.08548  7.284405       16.30587      -0.7928693     1.574558  
1 1 1 -28 2  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 4  1  o 26.06463  1.020190      677.7460       74.85242  721.2776       74.93055      -0.8372201     2.040380  
1 1 1 -28 4  2  o 17.01714  0.6556689     274.6199       31.25111  312.2871       31.55695      -1.108891      1.311338  
1 1 1 -28 4  3  o 8.302380  0.4329874     67.10474       10.20118  72.00469       9.985615      -0.2989554     0.8659748 
1 1 1 -28 4  4  o 13.66550  0.5547378     198.0597       21.50626  179.8073       21.16886      0.6678041      1.109476  
1 1 1 -28 4  5  o 22.10701  0.8668389     504.2198       54.09654  499.5447       53.88214      0.1036953      1.733678  
1 1 1 -28 4  6  o 2.976203  0.6599227     16.08752       7.332420  -2.578500      7.576959      1.834463       1.319845  
1 1 1 -28 4  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 4  8  o 6.104681  0.5554941     37.97578       8.998653  38.84122       9.790578      -0.5618024E-01 1.110988  
1 1 1 -28 4  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 4  10 o 18.79066  0.7694021     373.4896       40.69750  360.6703       40.72699      0.3428781      1.538804  
1 1 1 -28 4  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 4  12 o 3.862519  0.8800239     13.94064       11.01949  17.77563       10.93399      -0.3584335     1.760048  
1 1 1 -28 4  13 o 4.628502  0.8522236     34.26907       12.01346  12.80842       12.03183      1.967360       1.704447  
1 1 1 -28 4  14 o 5.536019  0.9459063     49.66961       14.18439  16.62274       20.38962      2.559854       1.891813  
1 1 1 -28 4  15 o 8.526134  1.014442      86.36832       21.96493  97.58312       25.63988      -0.3269681     2.028884  
1 1 1 -28 4  16 o 3.282542  1.036749      7.343963       17.59712  7.190075       22.14443      -0.1687771     2.073498  
1 1 1 -28 4  17 o 3.036930  0.9978486     -4.180107      19.21201  18.51558       23.03421      -0.7909248     1.995697  
1 1 1 -28 4  18 o 3.065686  1.014141      28.53194       21.34641  -2.784904      25.73629      0.7734782      2.028283  
1 1 1 -28 4  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 6  1  o 18.69955  0.6987975     320.5837       36.49899  390.0465       36.97055      -1.861551      1.397595  
1 1 1 -28 6  2  o 6.053153  0.4474860     39.75410       7.244132  34.12883       7.855962      0.4813982      0.8949720 
1 1 1 -28 6  3  o 2.627698  0.6636311     9.326704       6.609818  1.879565       6.459082      0.8184299      1.327262  
1 1 1 -28 6  4  f 12.88731  0.5434625     161.1346       19.87586  174.9014       19.54714      -0.5394684     1.086925  
1 1 1 -28 6  5  o 17.40283  0.6801246     294.0309       33.44601  322.6086       33.20733      -0.8268563     1.360249  
1 1 1 -28 6  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 6  7  o 33.93042  1.412698      1222.320       134.8429  1286.055       135.0374      -0.9384395     2.825396  
1 1 1 -28 6  8  o 20.79646  0.8479614     451.1757       49.52343  447.4700       49.81018      0.9409676E-01  1.695923  
1 1 1 -28 6  9  o 10.32775  0.5256940     111.9364       14.88297  105.4520       15.64187      0.3269882      1.051388  
1 1 1 -28 6  10 o 16.98391  0.7068851     289.3480       33.69913  309.2479       33.88868      -0.5845244     1.413770  
1 1 1 -28 6  11 o 6.284168  0.6912218     37.16968       11.87622  46.08002       11.82348      -0.7307383     1.382444  
1 1 1 -28 6  12 o 13.20740  0.6167167     185.8982       22.94525  179.2259       22.86692      0.2516437      1.233433  
1 1 1 -28 6  13 o 10.05397  0.6017831     113.7442       16.89923  100.1127       16.95527      0.6864034      1.203566  
1 1 1 -28 6  14 o 2.907424  0.8734410     0.7243846      12.36036  7.031003       12.89878      -0.4035472     1.746882  
1 1 1 -28 6  15 o 10.16924  0.6653111     95.53735       18.39081  136.5343       19.03308      -2.001619      1.330622  
1 1 1 -28 6  16 o 2.689146  0.8376529     -15.36475      13.99459  15.71315       14.68204      -1.340063      1.675306  
1 1 1 -28 6  17 o 2.892845  0.9181545     13.54208       15.50133  1.466853       16.33270      0.4672412      1.836309  
1 1 1 -28 6  18 o 3.151682  0.9619187     36.98561       17.71053  1.256042       18.11675      1.448171       1.923837  
1 1 1 -28 8  1  o 14.20233  0.5774562     195.0446       22.87774  213.9958       23.29267      -0.6660846     1.154912  
1 1 1 -28 8  2  o 4.270949  0.6335295     9.745358       7.994315  27.42120       7.537423      -1.976868      1.267059  
1 1 1 -28 8  3  o 22.09449  0.8533545     489.9222       53.11692  514.3495       53.11167      -0.5546999     1.706709  
1 1 1 -28 8  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 8  5  f 9.459941  0.5022975     93.30221       13.97965  88.83916       12.77824      0.2233688      1.004595  
1 1 1 -28 8  6  o 9.189881  0.5005233     81.06900       13.00973  90.30774       12.78814      -0.5093557     1.001047  
1 1 1 -28 8  7  o 18.97891  1.162582      364.6283       61.07792  409.0116       62.36884      -1.149633      2.325164  
1 1 1 -28 8  8  o 24.56121  1.005157      660.8173       69.46758  619.6400       69.53790      0.8431225      2.010313  
1 1 1 -28 8  9  o 5.957518  0.6644689     35.51743       10.47410  39.31935       11.19094      -0.3053659     1.328938  
1 1 1 -28 8  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 8  11 o 6.834289  0.6590837     42.28973       12.04504  56.37154       12.61448      -1.036648      1.318167  
1 1 1 -28 8  12 o 8.904434  0.6100581     93.36752       15.00574  73.62206       15.19152      1.132408       1.220116  
1 1 1 -28 8  13 o 6.423091  0.7827355     40.76831       13.52168  51.87871       13.81694      -0.8692281     1.565471  
1 1 1 -28 8  14 o 3.011078  0.8941757     -0.1021481     12.89940  11.72607       13.58676      -0.7207900     1.788351  
1 1 1 -28 8  15 o 3.739333  0.9523755     27.09142       13.41040  6.549542       14.94931      1.405494       1.904751  
1 1 1 -28 8  16 f 2.713577  0.8760833     -1.910153      14.25143  7.029592       15.89227      -0.4367430     1.752167  
1 1 1 -28 8  17 o 2.764122  0.8934444     -5.457455      16.10239  20.08682       17.09231      -0.9360889     1.786889  
1 1 1 -28 8  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 10 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 10 2  o 13.00123  0.5551522     165.3493       20.10176  178.1951       20.52325      -0.4915546     1.110304  
1 1 1 -28 10 3  o 28.45368  1.147744      837.7562       91.95651  878.2573       91.97528      -0.7139204     2.295489  
1 1 1 -28 10 4  o 18.07656  0.7270998     327.2530       37.34670  343.6973       36.68973      -0.4654652     1.454200  
1 1 1 -28 10 5  o 11.97441  0.5612435     151.2720       19.54463  141.6194       18.30190      0.3887734      1.122487  
1 1 1 -28 10 6  o 3.212829  0.7588189     -3.389850      9.608321  18.74921       9.575838      -1.879174      1.517638  
1 1 1 -28 10 7  f 7.901344  0.5939674     70.27987       13.27569  58.40619       12.79611      0.7525377      1.187935  
1 1 1 -28 10 8  o 12.66304  0.9253635     194.3404       31.41238  145.5397       33.41708      2.023539       1.850727  
1 1 1 -28 10 9  o 3.956245  0.9372762     7.341483       10.87531  27.46409       15.43068      -1.821064      1.874552  
1 1 1 -28 10 10 o 7.980811  0.6020667     74.45641       12.99815  57.89318       13.62433      1.077530       1.204133  
1 1 1 -28 10 11 o 8.813476  0.6110064     75.33073       14.73787  88.96830       15.26964      -0.7642483     1.222013  
1 1 1 -28 10 12 o 8.167484  0.6793582     88.70030       15.23372  56.04988       14.94826      2.035417       1.358716  
1 1 1 -28 10 13 o 3.190497  0.8860123     -4.531332      12.93502  20.05751       13.48697      -1.539764      1.772025  
1 1 1 -28 10 14 o 3.764096  0.9641945     25.21813       13.52636  9.555994       14.44476      1.114991       1.928389  
1 1 1 -28 10 15 o 2.946404  0.9104058     11.14689       13.72822  1.449679       15.67947      0.3706411      1.820812  
1 1 1 -28 10 16 o 2.633669  0.8480157     -16.62026      15.08662  21.32457       17.22860      -1.381569      1.696031  
1 1 1 -28 10 17 o 2.986669  1.061575      31.45596       39.23485  12.15336       40.86258      0.1859523      2.123151  
1 1 1 -28 12 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 12 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 12 3  o 5.832254  0.6405160     38.89913       10.39822  31.96945       9.994051      0.5988318      1.281032  
1 1 1 -28 12 4  o 9.934956  0.5499328     111.9118       16.01923  90.57790       14.61335      1.059085       1.099866  
1 1 1 -28 12 5  o 17.16485  0.7176495     330.8077       35.13586  279.6022       34.11694      1.480246       1.435299  
1 1 1 -28 12 6  o 11.89805  0.6859998     179.1043       22.92004  115.9871       22.18288      2.668453       1.372000  
1 1 1 -28 12 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 12 8  o 3.198285  0.8738971     10.39013       11.08131  5.154660       11.58331      0.3542543      1.747794  
1 1 1 -28 12 9  o 6.978210  0.6851896     52.92493       12.80553  51.30265       13.54023      0.1474416      1.370379  
1 1 1 -28 12 10 o 3.500419  0.8855729     19.38387       11.34040  1.474254       13.11425      1.239104       1.771146  
1 1 1 -28 12 11 o 4.202682  0.9217487     28.49586       12.64183  11.88177       12.92295      1.419514       1.843497  
1 1 1 -28 12 12 o 6.029199  0.8631390     41.83598       14.10895  45.19616       14.31494      -0.2641162     1.726278  
1 1 1 -28 12 13 o 3.213825  0.9130428     19.69321       13.60222  -1.548711      14.15673      1.216677       1.826086  
1 1 1 -28 12 14 o 4.359825  1.041472      23.77420       14.83456  35.13944       16.01616      -0.7952644     2.082945  
1 1 1 -28 12 15 f 2.919600  0.9114646     20.14349       15.23601  -6.394939      17.31385      1.002737       1.822929  
1 1 1 -28 12 16 o 2.519736  0.8327958     -22.72825      16.27090  27.22381       19.08554      -1.439170      1.665592  
1 1 1 -28 14 1  o 18.20781  0.7420432     347.5357       37.76750  343.0638       38.34316      0.1347627      1.484086  
1 1 1 -28 14 2  o 7.410361  0.9211680     42.27085       17.58769  76.54125       19.38488      -2.312088      1.842336  
1 1 1 -28 14 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 14 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 14 5  o 8.057305  0.6314362     61.76893       14.99015  72.61665       13.36147      -0.7329183     1.262872  
1 1 1 -28 14 6  o 9.357790  0.5973411     90.20852       15.95476  92.45114       15.34057      -0.1371721     1.194682  
1 1 1 -28 14 7  o 5.306760  0.8777840     30.37596       13.91105  32.77465       12.23751      -0.2739082     1.755568  
1 1 1 -28 14 8  o 3.659171  0.9497238     12.92577       12.49374  14.09996       13.28832      -0.1253419     1.899448  
1 1 1 -28 14 9  o 9.289931  0.6439338     98.90892       16.26797  85.99127       17.09860      0.7420086      1.287868  
1 1 1 -28 14 10 o 3.224699  0.9218553     6.385131       12.35463  11.29265       13.83080      -0.4033171     1.843711  
1 1 1 -28 14 11 o 2.908729  0.8316346     17.84231       12.38947  -15.69740      13.84877      1.622191       1.663269  
1 1 1 -28 14 12 o 1.964099  0.6886085     -31.40802      14.23616  -20.22966      14.68927      -0.2659357     1.377217  
1 1 1 -28 14 13 o 3.494122  1.016626      11.00834       17.54016  22.10942       15.73478      -0.5820668     2.033252  
1 1 1 -28 14 14 o 3.416372  1.010041      22.19516       15.72951  17.01043       17.28910      0.2956056      2.020083  
1 1 1 -28 14 15 o 3.883389  1.048066      49.02040       17.41532  17.88284       20.09662      1.818042       2.096133  
1 1 1 -28 16 1  o 3.618673  0.9003536     7.649489       10.85096  19.12638       12.70328      -1.049114      1.800707  
1 1 1 -28 16 2  o 10.48269  0.5765445     116.2378       16.51517  112.3573       17.43653      0.2102213      1.153089  
1 1 1 -28 16 3  o 7.743937  0.6874245     68.57738       15.21846  59.54205       14.22115      0.5573243      1.374849  
1 1 1 -28 16 4  o 5.466804  0.8385738     19.61304       13.70142  45.42067       12.72374      -2.267805      1.677148  
1 1 1 -28 16 5  o 2.647748  0.8373514     -5.585024      13.58116  -0.9126948     12.27465      -0.8191690E-01 1.674703  
1 1 1 -28 16 6  o 4.240521  0.8612218     2.305646       13.11188  34.72038       12.67335      -2.596206      1.722444  
1 1 1 -28 16 7  o 8.818964  0.6925009     84.30984       18.33862  85.70068       15.87846      -0.2046692     1.385002  
1 1 1 -28 16 8  f 6.235826  0.8434789     25.82261       14.67200  65.07640       14.57145      -3.114424      1.686958  
1 1 1 -28 16 9  o 4.670436  0.8713008     46.91619       14.09930  3.159508       14.73001      3.308700       1.742602  
1 1 1 -28 16 10 o 3.965592  1.020984      24.24033       14.43694  17.13964       15.74873      0.5127915      2.041968  
1 1 1 -28 16 11 o 5.903798  0.9707146     56.00540       15.76144  39.02702       16.85677      1.491486       1.941429  
1 1 1 -28 16 12 o 3.359884  0.9921296     9.823068       15.86910  23.12198       16.28650      -0.7014883     1.984259  
1 1 1 -28 16 13 f 2.863308  0.9266179     12.46402       16.42900  5.008439       17.57777      0.2457924      1.853236  
1 1 1 -28 16 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 18 1  o 3.913058  0.9918256     10.15183       15.46219  21.65381       13.52171      -0.7710258     1.983651  
1 1 1 -28 18 2  o 13.35985  0.6639386     192.5403       24.40161  193.0671       25.49127      0.2730694E-01  1.327877  
1 1 1 -28 18 3  f 2.456813  0.8070354     -8.484367      13.41552  -7.737296      13.57237      -0.4398647E-01 1.614071  
1 1 1 -28 18 4  o 6.458968  0.8938977     52.57495       16.40911  46.13283       15.11845      0.4136852      1.787795  
1 1 1 -28 18 5  o 3.268185  0.9043936     -9.789989      14.85833  21.69714       13.91208      -1.697780      1.808787  
1 1 1 -28 18 6  o 6.444674  0.8662073     69.59966       15.98182  30.51204       14.68304      2.937681       1.732415  
1 1 1 -28 18 7  o 4.256927  1.029355      32.88741       16.54354  16.90285       13.99076      1.157058       2.058709  
1 1 1 -28 18 8  o 2.288358  0.7758467     -3.603226      14.90317  -23.94526      14.87247      0.5703613      1.551693  
1 1 1 -28 18 9  o 3.020336  0.9161023     -8.882208      15.24999  22.27789       16.50996      -1.449080      1.832205  
1 1 1 -28 18 10 o 5.912915  1.059345      52.11866       16.97503  56.99882       18.59348      -0.1334011     2.118689  
1 1 1 -28 18 11 o 3.955559  1.092927      34.26324       17.41500  27.98136       18.35862      0.4296410      2.185853  
1 1 1 -28 18 12 o 2.717141  0.9023640     18.91655       17.82235  -6.160810      19.18479      0.6930758      1.804728  
1 1 1 -28 18 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 20 1  o 4.691925  0.8747699     43.22086       12.96364  7.298789       15.61489      2.829657       1.749540  
1 1 1 -28 20 2  f 7.895620  0.7861427     83.72625       16.20762  61.11374       17.67625      1.611426       1.572285  
1 1 1 -28 20 3  f 2.435751  0.8183662     -11.55960      14.99336  -9.927532      15.63565      -0.1028537     1.636732  
1 1 1 -28 20 4  o 2.633204  0.8698199     -1.599183      16.38321  -9.563893      15.80107      0.3061937      1.739640  
1 1 1 -28 20 5  o 8.845417  0.8805951     121.7808       25.08147  83.46852       18.55170      1.428372       1.761190  
1 1 1 -28 20 6  o 5.980142  0.9831569     38.31335       17.73735  61.03275       16.29164      -1.945969      1.966314  
1 1 1 -28 20 7  o 2.882888  0.9249582     14.53411       17.96646  -3.447619      15.68834      0.7765085      1.849916  
1 1 1 -28 20 8  o 3.326340  0.9810111     31.42887       17.36972  2.899395       16.28128      1.389400       1.962022  
1 1 1 -28 20 9  o 3.122495  0.9710051     29.85830       18.25566  2.263910       17.32660      1.120751       1.942010  
1 1 1 -28 20 10 o 2.808027  0.9278509     23.74994       18.70702  -3.816231      19.87303      0.7845306      1.855702  
1 1 1 -28 20 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 22 1  o 4.113711  1.053790      33.26493       15.15714  22.03022       18.18303      0.8924938      2.107580  
1 1 1 -28 22 2  o 4.550411  1.109049      28.58158       16.16475  46.39604       19.00495      -0.9951170     2.218097  
1 1 1 -28 22 3  o 2.165615  0.7637707     -22.13355      19.33122  -32.26116      18.32682      0.2251416      1.527541  
1 1 1 -28 22 4  o 2.735935  0.9005022     9.228508       16.70386  -4.169323      17.69792      0.3956667      1.801004  
1 1 1 -28 22 5  o 3.116104  0.9748875     29.05795       19.20268  3.567298       16.42911      1.045216       1.949775  
1 1 1 -28 22 6  o 2.819260  0.9293601     1.242813       18.92126  15.15996       17.93841      -0.4135829     1.858720  
1 1 1 -28 22 7  o 2.374995  0.8218482     10.23727       19.99402  -20.51903      18.01255      0.7042605      1.643696  
1 1 1 -28 22 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 24 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 24 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 24 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -28 24 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 1  1  o 13.86067  0.7936536     213.0457       30.79072  177.9322       30.75480      1.278481       1.587307  
1 1 1 -27 1  2  o 19.06809  1.258594      428.5101       81.42691  347.5816       57.47505      1.810260       2.517188  
1 1 1 -27 1  3  o 8.697091  0.5986274     78.12812       15.18510  76.00207       13.96865      0.1101156      1.197255  
1 1 1 -27 1  4  o 9.488821  0.5988876     104.0486       16.15749  78.73182       15.48861      1.343062       1.197775  
1 1 1 -27 1  5  o 16.23749  0.9316784     292.0791       42.02167  248.4778       42.65497      1.362892       1.863357  
1 1 1 -27 1  6  o 23.99046  1.382569      608.5446       92.77459  612.0798       93.22925      -0.6704224E-01 2.765138  
1 1 1 -27 1  7  o 14.74744  0.8669348     219.0292       35.40375  229.2633       36.26667      -0.3385396     1.733870  
1 1 1 -27 1  8  o 23.41221  1.371816      626.8701       89.99085  547.6137       89.76555      1.703790       2.743632  
1 1 1 -27 1  9  o 20.41450  0.9548201     468.8474       66.86311  414.0196       47.27604      1.020984       1.909640  
1 1 1 -27 1  10 o 5.999089  0.5503033     39.51041       9.073892  34.42016       9.125272      0.4343689      1.100607  
1 1 1 -27 1  11 o 8.851907  0.5040793     73.97655       12.44865  85.75064       12.53605      -0.6694995     1.008159  
1 1 1 -27 1  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 1  13 o 3.586353  0.8571703     16.15305       10.38461  9.892528       10.55917      0.5702698      1.714341  
1 1 1 -27 1  14 f 6.375647  0.6909223     51.16048       11.84505  35.58438       12.11681      1.274535       1.381845  
1 1 1 -27 1  15 o 3.573288  0.9156428     12.49961       11.84501  14.96049       12.02063      -0.2061931     1.831286  
1 1 1 -27 1  16 o 3.757946  0.9462265     13.63371       12.81741  20.45580       12.78699      -0.5425884     1.892453  
1 1 1 -27 1  17 o 2.553856  0.8285030     -4.611652      13.56157  1.000857       13.72071      -0.2365553     1.657006  
1 1 1 -27 1  18 o 3.061394  0.9380990     7.710762       15.09213  15.85276       15.16413      -0.3981200     1.876198  
1 1 1 -27 3  1  o 10.90267  0.4499885     129.3577       13.84300  109.9592       13.74068      0.8934820      0.8999770 
1 1 1 -27 3  2  o 17.84551  0.6799856     312.4067       34.07780  333.0257       34.28986      -0.5780944     1.359971  
1 1 1 -27 3  3  o 24.65333  0.9379328     622.0918       65.17898  622.9726       65.14366      -0.1824311E-01 1.875866  
1 1 1 -27 3  4  o 21.09375  0.8119440     469.6627       48.32207  437.1209       48.15637      0.7726514      1.623888  
1 1 1 -27 3  5  o 11.82799  0.4965551     148.0185       16.72011  134.5364       16.33577      0.5694252      0.9931103 
1 1 1 -27 3  6  o 21.84064  0.8674520     481.9119       53.31788  496.2004       53.41552      -0.3271737     1.734904  
1 1 1 -27 3  7  o 20.01184  0.8037410     404.3395       45.27139  416.1827       45.33377      -0.2962270     1.607482  
1 1 1 -27 3  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 3  9  o 13.03587  0.6511144     146.1408       19.93542  207.3383       28.50426      -2.238828      1.302229  
1 1 1 -27 3  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 3  11 o 5.154876  0.9262713     27.34158       13.18990  30.82282       13.89098      -0.3041674     1.852543  
1 1 1 -27 3  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 3  13 o 8.955876  0.8250654     85.67885       19.48318  88.62012       21.46912      -0.9109285E-01 1.650131  
1 1 1 -27 3  14 o 9.533544  0.8434083     78.29518       20.79846  123.8427       23.07338      -2.334221      1.686817  
1 1 1 -27 3  15 o 3.235047  0.9356893     20.95698       15.38146  -23.00113      18.45537      1.706233       1.871379  
1 1 1 -27 3  16 o 3.616546  1.039967      -1.096973      16.71510  29.96503       19.92461      -1.666156      2.079933  
1 1 1 -27 3  17 o 2.634132  0.8963991     -13.19570      17.66393  -8.033922      21.81489      -0.3670878     1.792798  
1 1 1 -27 3  18 o 2.742878  0.9201466     15.58632       19.12041  -27.29008      23.37993      0.8426961      1.840293  
1 1 1 -27 3  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 5  1  o 11.12525  0.4629777     132.7180       14.52464  116.6339       14.44978      0.7258297      0.9259554 
1 1 1 -27 5  2  o 9.383937  0.4194938     89.45516       10.85282  88.07174       11.31517      0.7734933E-01  0.8389876 
1 1 1 -27 5  3  o 19.09877  0.7385386     369.2662       39.78139  372.7106       39.70520      -0.9107821E-01 1.477077  
1 1 1 -27 5  4  o 21.62001  0.8420901     437.6498       51.17702  516.6339       51.21896      -1.834980      1.684180  
1 1 1 -27 5  5  o 7.561821  0.4274973     56.97913       9.276266  58.62788       8.869970      -0.1138338     0.8549947 
1 1 1 -27 5  6  o 26.37898  1.039832      703.5181       77.16969  740.3511       77.34454      -0.6982954     2.079663  
1 1 1 -27 5  7  o 5.880267  0.5264630     29.07273       8.405199  41.29614       8.547280      -1.063860      1.052926  
1 1 1 -27 5  8  o 20.81215  0.8931918     456.6165       48.83484  438.2609       56.67248      0.5585842      1.786384  
1 1 1 -27 5  9  o 5.277135  0.5924146     28.96947       8.515665  28.97869       8.579177      0.6841313E-03  1.184829  
1 1 1 -27 5  10 o 4.557083  0.7284706     20.30199       8.998935  24.03904       9.344966      -0.3943599     1.456941  
1 1 1 -27 5  11 f 16.62163  0.6911433     296.4856       32.34257  275.7248       32.32653      0.6267913      1.382287  
1 1 1 -27 5  12 o 8.186607  0.5705168     77.68560       13.07757  60.81979       12.87478      1.040403       1.141034  
1 1 1 -27 5  13 o 10.54735  0.5665827     110.4644       16.64886  121.3598       16.87804      -0.5137566     1.133165  
1 1 1 -27 5  14 o 7.821426  0.6402228     76.63656       13.52215  53.65570       13.93642      1.524460       1.280446  
1 1 1 -27 5  15 o 4.210678  0.8993490     29.18506       12.06231  12.02599       12.75228      1.500160       1.798698  
1 1 1 -27 5  16 o 7.051100  0.7698786     48.49416       14.45198  68.53378       15.03308      -1.411935      1.539757  
1 1 1 -27 5  17 o 4.068025  1.020034      25.24875       14.61101  25.67180       14.79266      -0.2284603E-01 2.040067  
1 1 1 -27 5  18 o 3.040330  0.9464425     9.440464       15.51035  17.63729       16.25742      -0.3736927     1.892885  
1 1 1 -27 5  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 7  1  o 6.950618  0.4055076     50.42258       7.617445  46.95768       8.210320      0.2575562      0.8110152 
1 1 1 -27 7  2  o 14.96524  0.5773884     214.6443       24.14671  238.4589       24.51077      -0.7958807     1.154777  
1 1 1 -27 7  3  o 20.10430  0.7758861     401.0727       43.95003  423.4199       43.93180      -0.5578364     1.551772  
1 1 1 -27 7  4  o 15.86311  0.6265622     263.2604       28.28464  247.6452       27.70625      0.4888138      1.253124  
1 1 1 -27 7  5  o 16.29556  0.6472122     260.6375       29.76779  279.0695       29.63100      -0.5690018     1.294424  
1 1 1 -27 7  6  o 21.77165  0.9277950     478.6721       53.18249  505.9020       61.39747      -0.5153301     1.855590  
1 1 1 -27 7  7  o 18.27740  0.8394131     319.4582       42.92503  369.4985       43.26126      -1.372297      1.678826  
1 1 1 -27 7  8  o 11.47318  0.5245607     136.2814       16.69973  131.2404       17.16766      0.2261516      1.049121  
1 1 1 -27 7  9  o 12.17625  0.9275328     150.9137       38.28497  159.5751       27.24621      -0.6289606     1.855066  
1 1 1 -27 7  10 o 15.20919  0.6402892     251.0539       27.34559  224.7901       27.44313      0.8692577      1.280578  
1 1 1 -27 7  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 7  12 o 3.251961  0.8386624     15.83531       10.66642  2.008900       10.67202      1.119246       1.677325  
1 1 1 -27 7  13 o 2.817140  0.8290578     7.758605       10.91189  -1.892195      11.55506      0.5462812      1.658116  
1 1 1 -27 7  14 f 6.686550  0.7331501     61.03350       12.85619  36.99271       13.66277      1.908114       1.466300  
1 1 1 -27 7  15 o 7.649330  0.7051291     58.71975       14.28438  74.00828       15.40001      -0.9407392     1.410258  
1 1 1 -27 7  16 o 7.081066  0.8034412     54.67483       15.05366  68.60444       15.93555      -0.9138182     1.606882  
1 1 1 -27 7  17 o 3.779162  0.9798985     34.49626       14.93158  9.903717       15.50390      1.608439       1.959797  
1 1 1 -27 7  18 o 4.282758  1.032390      53.55464       16.91999  20.61675       17.42636      2.172484       2.064780  
1 1 1 -27 9  1  o 5.122241  0.4954256     26.90876       6.707919  26.94238       7.311613      0.8744994E-02  0.9908513 
1 1 1 -27 9  2  o 26.16986  1.018425      689.8149       74.97731  730.2483       75.16415      -0.7727433     2.036850  
1 1 1 -27 9  3  o 10.74458  0.4835031     116.9637       14.93035  116.7270       14.32354      0.5626438E-02  0.9670062 
1 1 1 -27 9  4  o 16.03171  0.6426492     260.3105       29.28936  263.0682       28.75957      -0.9168314E-01 1.285298  
1 1 1 -27 9  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 9  6  o 14.16593  0.5975899     220.8516       23.88552  187.5007       23.69737      1.181249       1.195180  
1 1 1 -27 9  7  o 7.873479  0.5049718     66.72414       10.64339  58.93163       11.63807      0.5162066      1.009944  
1 1 1 -27 9  8  o 15.04539  0.6342888     228.7426       26.68689  235.7643       27.05093      -0.2288759     1.268578  
1 1 1 -27 9  9  o 11.22520  0.5402989     120.8355       16.71913  137.0859       17.35628      -0.7177367     1.080598  
1 1 1 -27 9  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 9  11 o 3.176747  0.8506145     7.015939       10.43357  9.938262       10.60716      -0.2507660     1.701229  
1 1 1 -27 9  12 o 3.077615  0.8503742     12.81309       11.14362  0.4759774      11.32315      0.8706149      1.700748  
1 1 1 -27 9  13 o 6.376313  0.7498748     33.52845       12.58871  56.44375       13.27075      -1.812540      1.499750  
1 1 1 -27 9  14 o 5.010689  0.8883047     37.19143       12.47487  22.42397       13.64125      1.384690       1.776609  
1 1 1 -27 9  15 o 5.092413  0.9239765     40.24421       13.13699  25.90612       14.82755      1.366419       1.847953  
1 1 1 -27 9  16 o 3.261393  0.9498360     8.108635       13.75452  19.68323       15.05094      -0.6923962     1.899672  
1 1 1 -27 9  17 o 3.156199  0.9514565     26.12292       15.67348  3.794263       16.58780      1.047609       1.902913  
1 1 1 -27 9  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 11 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 11 2  o 16.71937  0.8510526     261.4236       43.96444  310.6478       36.52039      -1.601818      1.702105  
1 1 1 -27 11 3  o 14.02161  0.5903004     196.3520       23.49532  203.8493       23.11262      -0.2726562     1.180601  
1 1 1 -27 11 4  o 13.34928  0.5788099     182.2860       22.18976  180.8958       21.33390      0.4229889E-01  1.157620  
1 1 1 -27 11 5  o 11.35501  0.5297150     133.2614       17.54557  129.4929       16.35056      0.1520201      1.059430  
1 1 1 -27 11 6  o 7.390280  1.515194      ?              ?         59.82661       21.64281      ?              ?         
1 1 1 -27 11 7  o 4.820700  0.7101992     35.52705       9.452544  12.47339       10.27562      2.284584       1.420398  
1 1 1 -27 11 8  o 7.681847  0.5799049     52.76011       11.94816  69.16476       12.74463      -1.066930      1.159810  
1 1 1 -27 11 9  o 4.276735  1.717244      ?              ?         13.58209       22.41707      ?              ?         
1 1 1 -27 11 10 o 11.33817  0.5699866     138.4167       18.03378  128.2405       18.26860      0.4572485      1.139973  
1 1 1 -27 11 11 o 9.045775  0.5882695     91.03979       14.80638  80.92679       14.91935      0.5688409      1.176539  
1 1 1 -27 11 12 o 4.962324  0.8742226     28.35746       12.00720  29.28019       12.45222      -0.6740281E-01 1.748445  
1 1 1 -27 11 13 o 5.888351  0.8176416     51.16208       13.02380  28.61511       13.67574      1.960424       1.635283  
1 1 1 -27 11 14 o 5.081142  0.9426507     35.93023       13.09865  30.81481       14.79152      0.5786019      1.885301  
1 1 1 -27 11 15 o 3.514363  0.9772857     18.98111       13.64454  14.42010       15.16317      0.2926768      1.954571  
1 1 1 -27 11 16 o 2.949613  0.9255301     5.134136       14.65246  16.16023       16.47012      -0.5238029     1.851060  
1 1 1 -27 11 17 o 2.527250  0.8655946     -10.53613      16.98196  18.51156       22.25669      -0.7944537     1.731189  
1 1 1 -27 13 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 13 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 13 3  o 12.81439  0.6491475     190.1597       28.03378  153.1900       19.95172      1.312312       1.298295  
1 1 1 -27 13 4  o 15.20200  0.6545414     236.8488       28.44891  238.7277       27.59089      -0.7565270E-01 1.309083  
1 1 1 -27 13 5  o 3.572669  0.8174463     5.517072       10.73305  17.99778       9.441503      -1.087368      1.634893  
1 1 1 -27 13 6  f 8.908280  0.8548256     95.88454       21.76548  73.46824       20.02657      1.234945       1.709651  
1 1 1 -27 13 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 13 8  f 13.04164  0.6175180     178.1799       22.15994  175.8930       23.16669      0.1121726      1.235036  
1 1 1 -27 13 9  o 4.701574  0.8337321     13.62896       11.29753  35.17858       11.99611      -2.015522      1.667464  
1 1 1 -27 13 10 o 9.379182  0.6231790     113.2193       15.29657  72.88747       16.60874      2.241184       1.246358  
1 1 1 -27 13 11 o 5.619844  0.8394233     29.33211       12.80034  43.12910       13.16597      -1.199152      1.678847  
1 1 1 -27 13 12 f 4.532917  0.9385564     30.70346       12.83171  19.82236       13.41285      0.9809598      1.877113  
1 1 1 -27 13 13 o 5.997714  0.8597856     56.94736       14.06957  31.25530       14.79612      2.181243       1.719571  
1 1 1 -27 13 14 o 2.823632  0.8541359     -12.46074      13.51509  21.02063       15.23235      -1.611751      1.708272  
1 1 1 -27 13 15 o 2.778108  0.8822578     -6.571323      14.49098  20.47930       16.90983      -1.153678      1.764516  
1 1 1 -27 13 16 o 2.429742  0.8274850     3.809094       15.81946  -9.373458      18.55392      0.2236553      1.654970  
1 1 1 -27 15 1  o 4.022006  1.044665      16.64420       14.10683  11.94188       17.78429      0.1228880      2.089330  
1 1 1 -27 15 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 15 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 15 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 15 5  o 4.406722  0.8663009     29.95290       12.23872  12.59250       11.04506      1.638761       1.732602  
1 1 1 -27 15 6  o 2.769340  0.8153313     -4.427495      11.27519  8.157679       10.88322      -0.7443177     1.630663  
1 1 1 -27 15 7  f 2.561826  0.7814008     -10.46027      11.20265  7.143963       11.21001      -0.9513152     1.562802  
1 1 1 -27 15 8  f 16.33438  0.7866613     295.8087       33.86987  286.1445       38.87659      0.5126061      1.573323  
1 1 1 -27 15 9  o 3.250750  0.8976567     14.25305       11.85396  2.365318       13.03813      0.7352405      1.795313  
1 1 1 -27 15 10 o 3.560157  0.9171417     20.75351       12.15939  4.081376       13.73652      1.143389       1.834283  
1 1 1 -27 15 11 o 2.948214  0.8878316     6.233909       12.79048  4.222285       13.23548      0.8289698E-01  1.775663  
1 1 1 -27 15 12 o 3.100089  0.8935785     -4.805657      13.82355  20.76600       14.00855      -1.417156      1.787157  
1 1 1 -27 15 13 o 3.476060  0.9858773     11.54922       14.41594  23.64077       15.65506      -0.7295107     1.971755  
1 1 1 -27 15 14 o 3.892829  1.051196      28.86522       15.31881  27.55201       17.18416      0.2043335      2.102393  
1 1 1 -27 15 15 o 2.609328  0.8764956     10.98782       16.46882  -3.635117      19.65210      0.3196146      1.752991  
1 1 1 -27 17 1  o 12.87490  0.6794860     168.3213       22.68004  183.9561       26.96017      -0.4814724     1.358972  
1 1 1 -27 17 2  o 6.312740  0.6968736     43.36104       11.50769  42.28033       12.65369      0.1341541      1.393747  
1 1 1 -27 17 3  o 7.261986  0.7169094     67.78203       14.94068  45.77034       13.46048      1.495030       1.433819  
1 1 1 -27 17 4  o 3.574649  0.9616268     7.819546       15.77012  13.85548       12.04574      -0.2008836     1.923254  
1 1 1 -27 17 5  o 13.18132  0.6695488     192.0443       25.52201  180.1028       24.11108      0.4025017      1.339098  
1 1 1 -27 17 6  o 8.333859  0.6606226     89.63956       15.62276  60.27832       14.62427      1.751828       1.321245  
1 1 1 -27 17 7  o 4.856065  0.8950408     36.37787       12.88225  18.73233       12.90984      1.589494       1.790082  
1 1 1 -27 17 8  o 7.514953  0.7335781     54.15766       14.94348  72.41785       15.18307      -1.233360      1.467156  
1 1 1 -27 17 9  o 5.813054  0.8815399     52.49088       14.08696  29.08121       14.93571      2.016128       1.763080  
1 1 1 -27 17 10 o 2.267724  0.7682095     -10.79472      13.40852  -13.93335      14.82926      -0.3532260E-01 1.536419  
1 1 1 -27 17 11 o 3.801317  0.9202891     -4.364775      14.31835  41.84790       16.02431      -2.841121      1.840578  
1 1 1 -27 17 12 o 3.549836  1.016410      21.70905       15.54553  19.28197       16.24321      0.1550622      2.032819  
1 1 1 -27 17 13 o 2.996518  0.9523573     13.22337       16.03652  13.86726       17.77478      -0.3356497E-01 1.904715  
1 1 1 -27 17 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 19 1  o 8.659091  0.6540414     88.50965       15.36548  73.14589       16.07816      0.9385234      1.308083  
1 1 1 -27 19 2  o 3.660580  0.9389905     9.170753       12.21869  20.34705       13.45465      -0.9035868     1.877981  
1 1 1 -27 19 3  o 10.30557  0.6837816     105.9297       20.36167  125.6664       18.97629      -1.045612      1.367563  
1 1 1 -27 19 4  o 2.673150  0.8563533     0.5662724      14.50267  -6.490639      13.58544      0.3797504      1.712707  
1 1 1 -27 19 5  o 3.184756  0.9264156     9.899343       14.37061  6.876870       12.59265      0.2855472      1.852831  
1 1 1 -27 19 6  o 6.384434  0.8407187     51.89410       15.50612  46.63579       13.85817      0.2750037      1.681437  
1 1 1 -27 19 7  o 8.132980  0.7403889     87.66691       16.62574  66.07456       16.37638      1.340430       1.480778  
1 1 1 -27 19 8  o 5.161577  0.9726299     49.89059       15.55980  23.66956       14.97141      2.093701       1.945260  
1 1 1 -27 19 9  o 8.401588  0.8479416     98.33540       18.51448  82.47306       20.63401      1.258681       1.695883  
1 1 1 -27 19 10 o 6.187568  1.010439      62.03744       16.78722  54.18985       18.30177      0.8642820      2.020878  
1 1 1 -27 19 11 o 6.084177  1.085034      67.07747       18.27011  62.05584       19.30112      0.5955724      2.170068  
1 1 1 -27 19 12 o 2.620377  1.358910      ?              ?         -111.7255      73.42348      ?              ?         
1 1 1 -27 21 1  f 3.104601  0.9301728     4.321089       13.21136  12.32790       15.38954      -0.5429899     1.860346  
1 1 1 -27 21 2  o 3.276419  0.9553968     8.695258       13.56084  13.74322       15.21881      -0.3554442     1.910794  
1 1 1 -27 21 3  o 3.388653  0.9875264     10.01001       15.03572  15.81460       15.67650      -0.3461937     1.975053  
1 1 1 -27 21 4  o 2.959502  0.9100388     -10.57684      15.17369  19.99277       16.81136      -1.397407      1.820078  
1 1 1 -27 21 5  o 5.751088  0.9874940     61.29080       17.07411  32.62167       15.71034      2.132073       1.974988  
1 1 1 -27 21 6  o 3.811072  1.032559      19.24120       16.33316  25.86064       15.23805      -0.4558609     2.065118  
1 1 1 -27 21 7  o 4.384634  1.071905      24.93443       17.00827  42.00426       16.69624      -1.214554      2.143809  
1 1 1 -27 21 8  o 3.162243  0.9666141     3.166180       17.54394  25.95127       16.44696      -0.9951574     1.933228  
1 1 1 -27 21 9  o 2.623857  0.8783556     10.51494       17.64821  -3.324084      17.33728      0.4087698      1.756711  
1 1 1 -27 21 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 23 1  o 3.129595  0.9679023     6.972429       15.03550  22.11089       18.14315      -0.7134424     1.935805  
1 1 1 -27 23 2  o 5.195261  1.067736      48.81094       15.55500  43.66859       19.49611      0.9570403      2.135471  
1 1 1 -27 23 3  o 3.520307  1.028675      35.00436       17.61026  9.636153       18.58788      1.243589       2.057351  
1 1 1 -27 23 4  o 2.426717  0.8315298     -11.36303      17.83762  -2.164105      17.59283      -0.2047569     1.663060  
1 1 1 -27 23 5  o 2.761482  0.9135643     -4.391527      19.26948  16.89394       17.66231      -0.5975996     1.827129  
1 1 1 -27 23 6  o 2.457337  0.8521956     -1.852297      19.15565  -8.981367      21.49809      0.6288847E-01  1.704391  
1 1 1 -27 23 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 25 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -27 25 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 0  4  f 1.844879  1.119527      3.170618       7.671198  3.170618       7.671198      ?              ?         
1 1 1 -26 0  5  o 1.141834  0.7750875     -2.862389      5.323715  -2.862389      5.323715      ?              ?         
1 1 1 -26 0  6  o 2.444929  1.084021      8.661570       5.590253  8.661570       5.590253      ?              ?         
1 1 1 -26 0  7  o 50.28667  2.901562      2701.462       289.5777  2701.462       289.5777      ?              ?         
1 1 1 -26 0  8  o 9.306648  0.6199712     88.02157       11.42043  88.02157       11.42043      ?              ?         
1 1 1 -26 0  9  o 15.45899  0.8814287     242.9944       27.04768  242.9944       27.04768      ?              ?         
1 1 1 -26 0  10 o 1.749202  1.068009      2.726900       7.075131  2.726900       7.075131      ?              ?         
1 1 1 -26 0  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 0  12 o 4.646760  1.154558      25.55026       9.285233  25.55026       9.285233      ?              ?         
1 1 1 -26 0  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 0  14 o 9.870241  0.7727612     100.8061       15.03356  100.8061       15.03356      ?              ?         
1 1 1 -26 0  15 o 3.807598  1.512996      21.23630       11.12257  21.23630       11.12257      ?              ?         
1 1 1 -26 0  16 f 1.564901  1.081537      -7.465758      11.46430  -7.465758      11.46430      ?              ?         
1 1 1 -26 0  17 o 2.613058  1.517311      11.48850       12.99324  11.48850       12.99324      ?              ?         
1 1 1 -26 0  18 f 2.776573  1.589207      15.10297       13.94735  15.10297       13.94735      ?              ?         
1 1 1 -26 0  19 o 2.880886  1.667104      19.53962       15.60138  19.53962       15.60138      ?              ?         
1 1 1 -26 0  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 2  1  o 3.522149  0.4521602     8.764777       4.280526  16.57739       4.389162      -1.129802      0.9043204 
1 1 1 -26 2  2  o 10.89802  0.4434272     121.2366       13.57440  118.0805       13.64520      0.1457508      0.8868544 
1 1 1 -26 2  3  o 13.78752  0.5497344     199.6615       21.37680  184.0054       21.30299      0.5694847      1.099469  
1 1 1 -26 2  4  o 15.38401  0.7007214     232.3388       26.23463  254.0724       36.95702      -0.6189489     1.401443  
1 1 1 -26 2  5  o 22.45786  1.257263      559.4890       79.00560  490.9947       79.18826      1.540106       2.514526  
1 1 1 -26 2  6  o 10.90278  0.6983901     140.5007       20.46310  100.3622       21.72233      1.885064       1.396780  
1 1 1 -26 2  7  o 22.19301  1.285586      539.6009       79.85844  496.6284       80.01346      0.9781842      2.571173  
1 1 1 -26 2  8  o 14.56540  0.8507289     232.2048       34.70310  203.8129       34.66724      0.9829046      1.701458  
1 1 1 -26 2  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 2  10 o 2.277058  0.7257260     -0.4611224E-02 9.934201  -11.83860      10.50722      0.5042889      1.451452  
1 1 1 -26 2  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 2  12 o 6.885985  0.7884875     44.47340       14.13100  56.45538       15.47769      -0.8512427     1.576975  
1 1 1 -26 2  13 o 4.203988  0.9858519     38.72076       18.26471  -7.437442      15.32944      3.058787       1.971704  
1 1 1 -26 2  14 o 6.518505  0.7357030     49.86349       15.13695  43.61132       11.72065      0.3425820      1.471406  
1 1 1 -26 2  15 o 7.839474  0.6133630     71.45604       13.35033  59.58975       13.30795      0.7680333      1.226726  
1 1 1 -26 2  16 o 2.444831  0.7837375     -3.970628      11.65307  -2.343802      11.77154      -0.8694070E-01 1.567475  
1 1 1 -26 2  17 f 4.075078  0.9448653     14.63928       12.99319  29.24707       13.17035      -1.204581      1.889731  
1 1 1 -26 2  18 o 3.816313  0.9974476     25.95019       14.23297  19.23354       14.56380      0.4933103      1.994895  
1 1 1 -26 2  19 o 3.196900  0.9729310     17.40851       15.90606  19.21807       15.92817      -0.8817182E-01 1.945862  
1 1 1 -26 2  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 4  1  o 13.12434  0.5198529     167.2514       19.19150  180.1580       19.23222      -0.4933009     1.039706  
1 1 1 -26 4  2  o 15.84190  0.6063086     239.3555       26.93597  267.7019       27.14859      -0.8967549     1.212617  
1 1 1 -26 4  3  f 10.57928  0.4315512     113.0935       12.92097  112.4557       12.79659      0.2946039E-01  0.8631024 
1 1 1 -26 4  4  o 7.421250  0.4157858     50.05950       9.496640  59.84266       7.943010      -0.6833401     0.8315715 
1 1 1 -26 4  5  o 34.78804  1.475134      1295.638       135.1514  1260.236       155.9863      0.8078927      2.950269  
1 1 1 -26 4  6  o 11.44194  0.4907383     127.2380       15.68703  137.1687       15.91360      -0.4340745     0.9814766 
1 1 1 -26 4  7  o 14.36482  0.5868388     201.7419       23.56243  216.4920       23.90375      -0.5124738     1.173678  
1 1 1 -26 4  8  o 9.239264  0.4404154     85.72001       11.46788  86.91018       11.41571      -0.6518954E-01 0.8808307 
1 1 1 -26 4  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 4  10 o 6.675509  0.4923170     52.26289       8.917062  38.03648       9.245846      1.092616       0.9846339 
1 1 1 -26 4  11 o 7.861094  0.4945769     65.71651       10.87709  60.40292       10.87165      0.3410083      0.9891537 
1 1 1 -26 4  12 f 11.99695  0.5584407     146.1012       18.87721  149.3313       18.80873      -0.1363953     1.116881  
1 1 1 -26 4  13 o 15.97947  0.6816459     280.5469       30.55387  253.0982       30.72536      0.8672925      1.363292  
1 1 1 -26 4  14 o 3.249632  0.9301758     6.222603       11.43500  8.642594       15.70065      -0.4668463     1.860352  
1 1 1 -26 4  15 o 6.384084  0.9735403     57.49954       16.44478  37.18775       18.87454      1.684829       1.947081  
1 1 1 -26 4  16 o 2.684947  0.8861876     -10.25442      15.45482  -4.409400      17.84921      -0.3836557     1.772375  
1 1 1 -26 4  17 o 8.799141  1.024657      109.6487       23.48186  99.08532       25.94559      0.9429266      2.049315  
1 1 1 -26 4  18 o 2.842209  0.9495860     -0.8116853     17.78492  3.991034       22.66503      -0.3063489     1.899172  
1 1 1 -26 4  19 o 3.178354  1.044266      16.45302       20.02356  31.24518       25.60859      -0.3466868     2.088532  
1 1 1 -26 6  1  f 8.936417  0.3984775     78.05734       9.820013  82.97285       10.22607      -0.2732947     0.7969549 
1 1 1 -26 6  2  o 17.42857  0.6457404     289.7751       31.54738  324.8873       31.83772      -1.008999      1.291481  
1 1 1 -26 6  3  o 16.59133  0.6404973     278.7258       29.97894  279.0157       29.90682      -0.9288929E-02 1.280995  
1 1 1 -26 6  4  o 17.65393  0.6867464     317.9256       34.30101  314.8610       34.01827      0.8483728E-01  1.373493  
1 1 1 -26 6  5  o 13.54925  0.5543573     180.2999       21.31340  190.8519       20.98665      -0.3934440     1.108715  
1 1 1 -26 6  6  o 4.977683  0.5146350     28.55628       6.738504  21.53441       7.297791      0.7403769      1.029270  
1 1 1 -26 6  7  o 10.74892  0.4802310     120.1882       14.31465  113.2834       14.73701      0.3264775      0.9604620 
1 1 1 -26 6  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 6  9  o 10.20422  0.4774099     106.1670       13.66528  105.0849       13.73762      0.5405060E-01  0.9548197 
1 1 1 -26 6  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 6  11 o 4.622363  0.7097365     17.19584       9.101198  27.68809       9.116021      -1.114846      1.419473  
1 1 1 -26 6  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 6  13 f 10.76577  0.5582854     131.2630       16.68271  108.5321       16.99094      1.072647       1.116571  
1 1 1 -26 6  14 o 3.047496  0.8275743     -0.6871907E-01 10.23177  14.85050       11.26312      -1.195204      1.655149  
1 1 1 -26 6  15 o 9.883641  0.5991219     112.5868       16.36111  97.04079       16.75305      0.8134359      1.198244  
1 1 1 -26 6  16 o 5.893681  0.8160048     61.02884       13.57324  23.02482       13.44320      3.134203       1.632010  
1 1 1 -26 6  17 o 4.526700  0.9845315     34.35175       13.97219  24.83214       14.11283      0.8147275      1.969063  
1 1 1 -26 6  18 o 3.503625  0.9946322     23.79154       14.87545  17.75577       15.48066      0.3812428      1.989264  
1 1 1 -26 6  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 8  1  o 10.19943  0.4373571     99.47271       12.35188  110.3628       12.74976      -0.5332587     0.8747142 
1 1 1 -26 8  2  o 17.12811  0.6626163     288.2933       31.87651  306.8356       32.05986      -0.5416733     1.325233  
1 1 1 -26 8  3  o 12.77684  0.5600699     177.0261       18.95827  151.2325       21.41540      1.038055       1.120140  
1 1 1 -26 8  4  o 17.84933  0.6944622     324.4325       35.09464  323.7573       34.75808      0.1599289E-01  1.388924  
1 1 1 -26 8  5  f 5.820846  0.4651081     27.24143       7.535602  41.22685       7.280206      -1.235401      0.9302162 
1 1 1 -26 8  6  o 13.56696  0.5991920     184.3946       21.46212  190.5513       24.61190      -0.1965261     1.198384  
1 1 1 -26 8  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 8  8  o 17.32686  0.7014301     318.9082       34.09954  295.9782       34.33422      0.6673933      1.402860  
1 1 1 -26 8  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 8  10 o 10.17020  0.5090685     121.9315       14.35405  88.93562       14.50882      1.639533       1.018137  
1 1 1 -26 8  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 8  12 f 17.55781  0.7387250     343.5715       36.52267  307.0246       36.44472      1.043618       1.477450  
1 1 1 -26 8  13 o 3.609637  0.7977719     -1.033724      10.39242  25.86989       11.08990      -2.306009      1.595544  
1 1 1 -26 8  14 o 3.525437  0.8977426     12.54756       10.93639  13.96550       11.97384      -0.1561881     1.795485  
1 1 1 -26 8  15 o 3.710804  0.8774096     25.12946       11.63347  4.524620       12.56626      1.620544       1.754819  
1 1 1 -26 8  16 o 8.354900  0.6954399     73.57511       15.87176  88.64848       16.24710      -0.8859549     1.390880  
1 1 1 -26 8  17 f 4.270991  1.020690      29.94324       14.41863  28.31324       14.92389      0.1673851      2.041381  
1 1 1 -26 8  18 o 4.717013  1.061393      32.21735       16.24639  53.24213       16.92054      -1.476340      2.122786  
1 1 1 -26 8  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 10 1  o 13.05070  0.5187743     166.0323       18.81644  178.5697       19.31983      -0.4779362     1.037549  
1 1 1 -26 10 2  o 28.48779  1.114232      848.7583       89.37659  844.2620       89.48318      0.8063309E-01  2.228463  
1 1 1 -26 10 3  o 19.61762  0.7715998     380.8227       42.69273  406.0927       42.56767      -0.6477693     1.543200  
1 1 1 -26 10 4  o 13.77846  0.5510999     196.6996       21.65050  188.3902       21.13032      0.2977798      1.102200  
1 1 1 -26 10 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 10 6  o 15.37229  0.6203116     235.5495       26.88923  246.1084       26.81884      -0.3454651     1.240623  
1 1 1 -26 10 7  o 15.11379  0.6172062     221.4490       25.90276  245.0540       26.61074      -0.7751735     1.234412  
1 1 1 -26 10 8  o 3.551217  0.8607991     15.46547       9.707367  6.101406       12.34893      0.6325755      1.721598  
1 1 1 -26 10 9  o 6.442663  0.5773895     35.17408       9.586272  51.01722       10.85136      -1.225701      1.154779  
1 1 1 -26 10 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 10 11 o 4.102159  0.8759179     19.43776       11.89577  17.54316       10.26837      0.2010831      1.751836  
1 1 1 -26 10 12 o 10.06373  0.5702986     122.9091       16.02422  88.73277       15.89625      1.713407       1.140597  
1 1 1 -26 10 13 o 2.694480  0.8205574     1.062226       10.88424  1.947817       11.80965      -0.1415365     1.641115  
1 1 1 -26 10 14 o 5.180367  0.8624913     33.80943       11.87793  30.11720       13.22954      0.4255721      1.724983  
1 1 1 -26 10 15 o 3.382063  0.9293029     15.01415       12.24343  10.64823       13.51863      0.2696733      1.858606  
1 1 1 -26 10 16 o 2.774218  0.8729110     2.398386       13.28853  6.425997       14.35109      -0.2429863     1.745822  
1 1 1 -26 10 17 o 3.380039  0.9755630     10.90325       15.03743  28.44060       15.71418      -0.9731470     1.951126  
1 1 1 -26 10 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 12 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 12 2  o 7.360837  0.7482667     55.34738       10.86279  ?              ?             ?              ?         
1 1 1 -26 12 3  o 10.27811  0.4908047     109.0557       14.49088  105.4453       13.89380      0.1699865      0.9816095 
1 1 1 -26 12 4  o 24.38768  0.9456486     621.2911       65.12521  619.7758       64.83561      0.2643481E-01  1.891297  
1 1 1 -26 12 5  o 5.901134  0.5625233     31.94322       9.558991  39.03401       8.737185      -0.6363797     1.125047  
1 1 1 -26 12 6  f 8.702063  1.018199      95.40070       23.64549  65.05591       24.59318      1.825904       2.036398  
1 1 1 -26 12 7  f 3.720826  0.7798796     17.95822       8.605632  9.880151       9.645110      0.8127365      1.559759  
1 1 1 -26 12 8  o 4.185027  0.7877128     12.28250       9.244624  25.35784       10.24093      -1.367282      1.575426  
1 1 1 -26 12 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 12 10 o 8.095517  0.5780253     84.28995       12.57807  52.09739       12.92018      2.038926       1.156051  
1 1 1 -26 12 11 o 2.387432  0.7613335     -2.014522      10.91855  -5.918072      10.90663      0.1921235      1.522667  
1 1 1 -26 12 12 o 8.994300  0.5964549     96.60873       14.75710  75.14286       15.07079      1.224494       1.192910  
1 1 1 -26 12 13 o 2.430741  0.7750732     -12.18084      11.55679  4.784446       12.48242      -0.8549943     1.550146  
1 1 1 -26 12 14 o 5.538270  0.8361588     50.54442       12.62810  23.45582       14.33203      2.437394       1.672318  
1 1 1 -26 12 15 o 3.789640  0.9745542     12.30107       12.96085  30.81624       15.26147      -1.290757      1.949108  
1 1 1 -26 12 16 o 2.272147  0.7731068     -0.1818367     14.15242  -19.71052      15.98991      0.3967586      1.546214  
1 1 1 -26 12 17 o 4.183835  1.004946      58.83166       17.27207  13.76279       18.62816      2.713362       2.009892  
1 1 1 -26 14 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 14 2  o 14.84876  1.208859      230.6057       35.58964  ?              ?             ?              ?         
1 1 1 -26 14 3  o 20.43643  0.8684969     479.4058       53.80221  398.7641       46.46058      1.837745       1.736994  
1 1 1 -26 14 4  o 11.46515  0.5503704     141.8531       18.29099  127.3369       17.20126      0.6197347      1.100741  
1 1 1 -26 14 5  o 11.42438  0.5455387     153.2773       17.97221  114.4170       16.91770      1.695515       1.091077  
1 1 1 -26 14 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 14 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 14 8  o 2.777723  0.8175071     3.869678       10.14616  1.764118       11.18024      0.3186821E-01  1.635014  
1 1 1 -26 14 9  o 12.46766  0.6090745     183.9689       20.81286  141.0544       21.61191      1.760148       1.218149  
1 1 1 -26 14 10 o 3.050887  0.8620590     8.449814       10.66707  4.662676       12.03260      0.1600375      1.724118  
1 1 1 -26 14 11 o 3.543492  0.8320538     25.69680       11.62385  -3.295916      11.97820      2.166241       1.664108  
1 1 1 -26 14 12 o 3.730607  0.9332430     10.98143       12.35290  21.96679       12.86711      -0.8854495     1.866486  
1 1 1 -26 14 13 o 2.802685  0.8655745     5.670230       12.42967  0.9193185      13.71966      0.1535297      1.731149  
1 1 1 -26 14 14 o 2.801030  0.8667818     12.00607       12.86407  -4.458062      14.76370      0.6688925      1.733564  
1 1 1 -26 14 15 f 3.740250  0.9369596     38.36740       14.36480  1.918851       16.91926      2.205047       1.873919  
1 1 1 -26 14 16 o 2.636045  0.8760943     -1.345835      15.50497  17.13705       18.43387      -0.6340604     1.752189  
1 1 1 -26 16 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 16 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 16 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 16 4  o 4.280273  0.8655326     20.20692       11.50035  19.96022       10.56958      0.2648506E-01  1.731065  
1 1 1 -26 16 5  o 9.128375  0.5618569     93.34875       15.06564  80.05369       13.68613      0.7000212      1.123714  
1 1 1 -26 16 6  o 11.90974  0.5941128     155.8321       20.26008  140.2497       19.49067      0.6375116      1.188226  
1 1 1 -26 16 7  o 10.65911  0.5819162     131.6771       17.44170  106.0380       17.25226      1.208028       1.163832  
1 1 1 -26 16 8  o 5.356344  0.8494142     24.28966       11.66373  41.70139       13.62203      -1.492719      1.698828  
1 1 1 -26 16 9  o 5.114674  0.8842583     30.30053       11.97574  31.59221       13.54831      -0.4046589E-01 1.768517  
1 1 1 -26 16 10 f 4.387001  0.9121488     13.03407       12.03812  34.30962       13.49590      -1.833670      1.824298  
1 1 1 -26 16 11 o 4.730030  0.9232687     36.46642       13.23263  20.23705       13.18895      1.435569       1.846537  
1 1 1 -26 16 12 o 2.163829  0.7377232     -8.640518      13.36848  -18.40839      13.75475      0.2394912      1.475446  
1 1 1 -26 16 13 o 2.351350  0.7844017     -15.40891      13.37670  4.675028       15.15842      -0.7781475     1.568803  
1 1 1 -26 16 14 o 3.780009  0.9490256     40.00057       14.57282  4.748080       17.27447      2.167264       1.898051  
1 1 1 -26 16 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 18 1  o 2.980195  0.7901349     -8.925529      10.55616  17.82164       11.33407      -1.884801      1.580270  
1 1 1 -26 18 2  o 8.535933  0.5815623     79.11270       13.27750  73.28976       14.51761      0.3849206      1.163125  
1 1 1 -26 18 3  o 7.306866  0.6678388     51.91924       13.47916  61.96540       13.39272      -0.7066574     1.335678  
1 1 1 -26 18 4  o 3.924740  0.9194940     26.34612       13.29597  7.227067       12.08959      1.601659       1.838988  
1 1 1 -26 18 5  o 3.373359  0.8710846     1.939027       11.96827  18.26515       11.39652      -1.208776      1.742169  
1 1 1 -26 18 6  o 5.481840  0.8295063     44.33002       13.14098  24.56684       12.06242      1.717527       1.659013  
1 1 1 -26 18 7  o 6.944697  0.7196763     61.34841       13.60600  45.45111       13.64117      1.182204       1.439353  
1 1 1 -26 18 8  o 4.359342  0.9581117     25.66808       12.99405  22.03045       13.20527      0.3255990      1.916223  
1 1 1 -26 18 9  o 2.671993  0.8494639     2.085381       13.05127  -3.509404      13.95930      0.1756259      1.698928  
1 1 1 -26 18 10 o 4.162743  0.9772204     30.63783       13.53871  16.52717       14.68821      1.142518       1.954441  
1 1 1 -26 18 11 o 2.469767  0.8210714     -7.786401      14.02365  -0.6341079     15.42644      -0.3343727     1.642143  
1 1 1 -26 18 12 o 2.480897  0.8304270     -8.715951      15.09614  3.650081       16.15007      -0.4370449     1.660854  
1 1 1 -26 18 13 o 3.365816  0.9694581     36.52667       15.99373  4.091371       18.25079      1.586113       1.938916  
1 1 1 -26 18 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 20 1  o 5.530324  0.8544571     35.10618       12.13596  37.25026       14.08304      -0.6637970E-01 1.708914  
1 1 1 -26 20 2  o 5.043837  0.9251721     26.99478       12.72043  35.24304       13.98503      -0.6790717     1.850344  
1 1 1 -26 20 3  o 7.165928  0.7721832     67.16137       15.23671  49.28241       14.87369      1.260046       1.544366  
1 1 1 -26 20 4  o 4.247604  0.9797515     32.10640       14.70183  13.17288       13.68839      1.492991       1.959503  
1 1 1 -26 20 5  o 3.596991  0.9213456     23.77641       13.03839  5.269022       12.94245      1.359433       1.842691  
1 1 1 -26 20 6  o 4.064996  0.9344122     34.31121       14.13940  7.550672       13.29578      2.051578       1.868824  
1 1 1 -26 20 7  o 8.964512  0.7181495     112.5656       17.75810  75.17121       17.39724      2.101915       1.436299  
1 1 1 -26 20 8  o 7.796916  0.7829562     78.93928       17.04635  72.06487       16.49705      0.3871189      1.565912  
1 1 1 -26 20 9  o 3.208185  0.9719783     8.958505       15.21436  17.60498       16.50457      -0.4505949     1.943957  
1 1 1 -26 20 10 o 6.872240  0.9690112     74.02788       17.53811  67.83677       19.03928      0.7379160      1.938022  
1 1 1 -26 20 11 o 2.539568  0.8523443     11.65620       16.76265  -10.31359      17.41340      0.5940309      1.704689  
1 1 1 -26 20 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 22 1  o 3.118786  0.9243762     12.38095       12.65488  4.533387       15.63315      0.3031711      1.848752  
1 1 1 -26 22 2  o 7.927239  0.7821237     87.43540       16.19199  63.62290       17.59988      1.706458       1.564247  
1 1 1 -26 22 3  o 2.644214  0.8688343     4.844864       16.55077  -10.41001      15.39969      0.5970856      1.737669  
1 1 1 -26 22 4  o 5.570687  1.027120      46.19748       16.70426  44.91406       16.01437      0.1924859E-01  2.054241  
1 1 1 -26 22 5  o 4.192607  1.051354      32.35155       16.28054  24.89794       15.09274      0.4703164      2.102709  
1 1 1 -26 22 6  f 4.278094  1.067474      24.69528       16.22072  39.06470       16.71351      -0.9714985     2.134949  
1 1 1 -26 22 7  o 2.614995  0.8632225     5.611709       16.20443  -2.193065      15.38130      0.2982661      1.726445  
1 1 1 -26 22 8  o 3.584025  1.028765      18.80313       17.63697  32.45827       16.25274      -0.8048961     2.057529  
1 1 1 -26 22 9  o 2.931022  1.001471      2.073093       23.77579  34.71702       27.09289      -0.6613730     2.002942  
1 1 1 -26 22 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 24 1  o 3.860784  0.9063678     47.59076       15.16884  -6.594957      17.76325      2.987651       1.812736  
1 1 1 -26 24 2  o 3.319808  1.005071      22.44496       15.47605  17.68918       19.11236      0.2937401      2.010141  
1 1 1 -26 24 3  o 3.903115  1.020280      8.036726       17.69917  54.72051       18.57059      -2.447179      2.040559  
1 1 1 -26 24 4  o 3.110568  0.9518212     -1.884880      18.24367  35.33117       17.49587      -1.472425      1.903642  
1 1 1 -26 24 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 24 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -26 24 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 1  1  o 7.220129  0.4959239     66.81802       9.744484  39.22830       9.746120      1.946033       0.9918479 
1 1 1 -25 1  2  o 12.37440  0.8155315     173.0831       34.35047  146.4269       24.26109      0.9699368      1.631063  
1 1 1 -25 1  3  o 11.66038  0.6453245     154.2557       21.38500  121.4719       20.68667      1.412393       1.290649  
1 1 1 -25 1  4  o 8.989330  0.5712427     86.10309       14.59053  77.93910       14.13160      0.4536969      1.142485  
1 1 1 -25 1  5  o 10.90623  0.6506563     125.8635       19.35579  115.1212       20.42642      0.5071617      1.301313  
1 1 1 -25 1  6  f 19.98322  1.147264      432.5460       64.14108  394.4917       64.33086      0.9619973      2.294528  
1 1 1 -25 1  7  o 7.870367  0.5797038     70.41044       12.10605  54.30989       13.23144      1.058618       1.159408  
1 1 1 -25 1  8  o 17.33080  0.9897294     318.8399       48.09686  301.9588       48.07932      0.4903180      1.979459  
1 1 1 -25 1  9  o 8.676452  0.4868207     82.01762       14.28380  72.81595       10.28649      0.4880986      0.9736413 
1 1 1 -25 1  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 1  11 o 29.62561  1.209256      932.0426       100.8875  947.5427       100.9015      -0.2622074     2.418512  
1 1 1 -25 1  12 f 11.63710  0.5186470     120.7294       16.84601  155.0148       16.97104      -1.481331      1.037294  
1 1 1 -25 1  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 1  14 f 12.85885  0.5815476     163.6696       20.96124  178.8636       21.09127      -0.5907885     1.163095  
1 1 1 -25 1  15 o 8.323631  0.5604476     71.43166       12.97568  74.17182       13.09187      -0.1623758     1.120895  
1 1 1 -25 1  16 o 8.479323  0.6063266     65.00351       14.19708  89.13943       14.22816      -1.447073      1.212653  
1 1 1 -25 1  17 o 3.906157  0.9023319     9.735722       12.17072  27.40570       12.34223      -1.481926      1.804664  
1 1 1 -25 1  18 o 4.237637  0.8466539     1.711698       13.18804  44.16724       13.57835      -3.184238      1.693308  
1 1 1 -25 1  19 o 4.384414  0.8975815     6.631883       14.77140  53.25830       15.05575      -3.258634      1.795163  
1 1 1 -25 1  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 3  1  o 14.35126  0.5521422     202.0222       22.30378  213.7563       22.33961      -0.4099668     1.104284  
1 1 1 -25 3  2  o 2.865879  0.4835916     12.18782       3.994370  4.031744       4.315030      1.257284       0.9671832 
1 1 1 -25 3  3  o 13.07371  0.5042471     173.6571       18.62560  171.1418       18.52495      0.9587213E-01  1.008494  
1 1 1 -25 3  4  o 16.35698  0.6366879     272.6163       29.45475  268.9753       29.23036      0.1101179      1.273376  
1 1 1 -25 3  5  o 13.07046  0.5209410     176.5977       19.19772  168.1452       19.15523      0.3242057      1.041882  
1 1 1 -25 3  6  o 13.00876  0.5335916     169.2025       19.49243  172.7039       19.60414      -0.1342828     1.067183  
1 1 1 -25 3  7  o 35.78611  1.431398      1357.371       144.2696  1349.388       144.3150      0.1125413      2.862795  
1 1 1 -25 3  8  o 15.52449  0.6151295     264.9218       26.89062  223.2598       26.80713      1.347718       1.230259  
1 1 1 -25 3  9  o 17.36072  0.8059824     301.0120       34.03014  324.8876       48.21371      -0.5150481     1.611965  
1 1 1 -25 3  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 3  11 o 6.316923  0.7133881     48.28216       11.90501  33.71555       12.67746      1.210526       1.426776  
1 1 1 -25 3  12 o 2.880879  0.8478777     3.302009       10.46951  1.729655       12.56719      -0.1216781     1.695755  
1 1 1 -25 3  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 3  14 o 9.314814  0.7700515     82.67307       19.06708  103.4207       20.63902      -1.077713      1.540103  
1 1 1 -25 3  15 o 7.829164  0.8445335     71.53922       17.34442  64.71843       18.96428      0.5333452      1.689067  
1 1 1 -25 3  16 o 4.419674  1.065945      22.24124       14.79022  26.87119       17.36522      -0.3302902     2.131889  
1 1 1 -25 3  17 o 6.026972  1.093710      38.83078       17.31842  62.84936       20.56796      -1.515726      2.187420  
1 1 1 -25 3  18 o 3.126910  0.9961198     4.599180       16.36226  12.89683       21.22477      -0.4674270     1.992240  
1 1 1 -25 3  19 o 2.759976  0.8882772     10.18672       15.65295  3.795862       14.88458      0.2754069      1.776554  
1 1 1 -25 3  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 5  1  o 26.54720  1.034810      730.8083       77.40427  716.5452       77.38956      0.2693422      2.069621  
1 1 1 -25 5  2  o 9.119041  0.3854899     84.99119       9.746943  82.35861       10.05299      0.1468907      0.7709798 
1 1 1 -25 5  3  o 8.544562  0.3884371     73.94452       9.417823  73.18159       9.259730      0.4373451E-01  0.7768742 
1 1 1 -25 5  4  o 9.464640  0.4110532     91.18312       11.28367  89.43095       10.64511      0.8865310E-01  0.8221064 
1 1 1 -25 5  5  o 5.745633  0.4092046     34.67788       6.280820  31.96436       6.867223      0.2469641      0.8184093 
1 1 1 -25 5  6  o 9.174932  0.4217990     80.08480       10.73066  89.67178       11.02536      -0.5228626     0.8435981 
1 1 1 -25 5  7  o 11.33389  0.4780724     126.9577       15.07579  132.5698       15.43696      -0.2457696     0.9561448 
1 1 1 -25 5  8  o 22.99051  0.8964040     541.6745       58.06626  545.9305       58.06252      -0.9289008E-01 1.792808  
1 1 1 -25 5  9  o 8.565847  0.5136160     83.67210       12.28252  65.00079       12.25398      1.102264       1.027232  
1 1 1 -25 5  10 o 12.20774  0.5211869     152.1508       17.86937  150.5150       17.95459      0.6815869E-01  1.042374  
1 1 1 -25 5  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 5  12 o 7.505828  0.5116190     49.32643       10.55623  65.85408       10.76095      -1.113515      1.023238  
1 1 1 -25 5  13 o 3.238139  1.003928      6.078442       17.07886  -13.04290      19.39581      0.5864037      2.007856  
1 1 1 -25 5  14 o 3.934412  0.8355191     18.09466       9.874502  15.89476       10.26908      0.2203602      1.671038  
1 1 1 -25 5  15 o 4.280041  0.8075537     30.36983       10.70562  9.805929       10.94756      1.959530       1.615107  
1 1 1 -25 5  16 o 5.302720  0.8278028     30.82615       12.02710  35.57932       12.15189      -0.4327841     1.655606  
1 1 1 -25 5  17 o 5.033747  0.9023308     36.91562       12.85740  28.16149       13.11552      0.8199343      1.804662  
1 1 1 -25 5  18 f 3.396532  0.9538456     20.45274       13.50212  11.50960       14.49696      0.5680094      1.907691  
1 1 1 -25 5  19 o 2.837922  0.9497352     3.379139       16.79021  17.75362       24.51460      -0.4978487     1.899470  
1 1 1 -25 5  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 7  1  o 10.32277  0.4265439     101.5151       12.23014  113.1365       12.55179      -0.5631378     0.8530878 
1 1 1 -25 7  2  o 14.74659  0.5663477     214.8812       23.43995  224.4797       23.61972      -0.3253015     1.132695  
1 1 1 -25 7  3  o 15.75381  0.6600693     267.2945       27.42727  232.4244       31.36016      1.145565       1.320139  
1 1 1 -25 7  4  o 20.49916  0.7808189     433.2364       45.21265  422.2734       44.99249      0.2663943      1.561638  
1 1 1 -25 7  5  o 6.947903  0.3942716     50.85444       7.816691  46.71928       7.545832      0.2970132      0.7885431 
1 1 1 -25 7  6  o 18.23200  0.7118060     340.1760       36.47623  336.2994       36.65105      0.1081890      1.423612  
1 1 1 -25 7  7  o 20.76831  0.8259824     447.1277       48.25740  436.9946       48.38562      0.2461489      1.651965  
1 1 1 -25 7  8  o 13.85770  0.5688758     205.4217       22.07458  183.7888       22.29086      0.7863199      1.137752  
1 1 1 -25 7  9  o 4.659972  0.5812653     10.27645       7.066760  36.27310       7.621954      -2.777919      1.162531  
1 1 1 -25 7  10 o 11.22886  0.5047419     136.2659       15.84314  119.5506       16.01444      0.7507260      1.009484  
1 1 1 -25 7  11 o 11.87708  0.5297080     146.0694       17.72474  141.9455       17.68050      0.1737079      1.059416  
1 1 1 -25 7  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 7  13 o 8.979719  0.5345482     81.75093       13.18618  85.29868       13.72710      -0.1860749     1.069096  
1 1 1 -25 7  14 o 8.046716  0.5737296     75.09818       12.45671  60.16503       13.21200      0.9709280      1.147459  
1 1 1 -25 7  15 o 6.074951  0.7337829     39.97327       11.94290  42.87407       12.36900      -0.2181300     1.467566  
1 1 1 -25 7  16 o 2.484615  0.7921780     -5.621164      11.84512  1.582702       11.92273      -0.3438336     1.584356  
1 1 1 -25 7  17 o 2.548662  0.8163297     3.296333       12.53677  -4.184528      13.04500      0.2900093      1.632659  
1 1 1 -25 7  18 o 7.310504  0.8294527     73.43674       16.22820  71.06176       16.92999      0.2782781      1.658905  
1 1 1 -25 7  19 f 2.029031  0.7150016     -14.90229      15.99421  -23.79186      16.93462      0.9888284E-01  1.430003  
1 1 1 -25 9  1  o 25.86058  0.9806147     651.4534       71.30840  721.3286       71.51089      -1.354155      1.961229  
1 1 1 -25 9  2  o 21.76897  0.8906078     485.9861       58.92128  484.7505       51.11145      -0.4733040E-01 1.781216  
1 1 1 -25 9  3  o 34.39913  1.341560      1250.561       130.0177  1238.742       130.0238      0.1723999      2.683119  
1 1 1 -25 9  4  o 6.115369  0.4250920     35.65508       7.632654  39.73973       6.918055      -0.3481296     0.8501841 
1 1 1 -25 9  5  o 2.374047  0.6393564     3.688758       6.015656  4.295861       5.887302      -0.4911575E-01 1.278713  
1 1 1 -25 9  6  o 8.907093  0.5007334     83.13693       12.28656  77.55532       12.73656      0.3205976      1.001467  
1 1 1 -25 9  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 9  8  o 2.820727  0.6444898     14.16128       6.810654  -2.757093      7.271122      1.653255       1.288980  
1 1 1 -25 9  9  o 11.24284  0.5518639     141.0488       18.57136  117.8064       16.37837      1.009260       1.103728  
1 1 1 -25 9  10 o 3.550804  0.7524663     14.04453       8.034171  12.29789       8.308890      0.1897795      1.504933  
1 1 1 -25 9  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 9  12 o 5.201688  0.7054997     24.53642       9.722044  33.41457       10.25500      -0.8481233     1.410999  
1 1 1 -25 9  13 o 4.709695  0.7899047     27.86529       10.11537  20.79552       10.88541      0.7353216      1.579809  
1 1 1 -25 9  14 o 5.768278  0.7345575     43.66740       11.14787  28.83423       12.10206      1.368156       1.469115  
1 1 1 -25 9  15 o 4.414336  0.8784972     13.96599       11.57703  33.31041       12.47596      -1.745677      1.756994  
1 1 1 -25 9  16 o 2.719553  0.8415287     6.775626       12.20609  -1.537368      12.80381      0.3834930      1.683057  
1 1 1 -25 9  17 o 3.087149  0.9140773     4.244801       13.54459  18.38047       14.18696      -0.8054088     1.828155  
1 1 1 -25 9  18 o 2.628096  0.8393237     18.77155       14.59990  -12.52906      15.61780      1.108303       1.678647  
1 1 1 -25 9  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 11 1  o 14.03768  0.5496573     195.7733       21.52283  203.3012       21.95499      -0.2654680     1.099315  
1 1 1 -25 11 2  o 20.20989  0.7805086     423.5331       44.39976  411.5480       44.48553      0.2983318      1.561017  
1 1 1 -25 11 3  o 9.226605  0.4368595     80.97765       11.52573  90.60336       11.13346      -0.5285979     0.8737190 
1 1 1 -25 11 4  o 5.367520  0.5058155     24.86831       7.920898  33.11959       7.036011      -0.8117645     1.011631  
1 1 1 -25 11 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 11 6  o 22.56560  0.9622375     504.7712       65.82246  550.9659       57.20509      -1.168595      1.924475  
1 1 1 -25 11 7  o 10.95649  0.5108752     128.5045       15.37365  114.7054       16.10877      0.6425921      1.021750  
1 1 1 -25 11 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 11 9  o 7.345948  0.5199792     60.91012       10.05922  48.52588       11.23817      0.8825238      1.039958  
1 1 1 -25 11 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 11 11 o 4.620983  0.7626995     17.25376       9.747257  28.85476       10.08736      -1.190232      1.525399  
1 1 1 -25 11 12 o 8.503576  0.5700219     91.45023       13.14112  59.64941       13.46602      1.913324       1.140044  
1 1 1 -25 11 13 o 7.254501  0.6359971     64.92055       12.25794  47.09083       13.04921      1.301680       1.271994  
1 1 1 -25 11 14 o 3.407238  0.8884351     15.97133       10.93363  7.783585       12.36290      0.5851722      1.776870  
1 1 1 -25 11 15 o 3.188797  0.8349299     22.91935       11.85411  -8.181899      12.96508      1.895649       1.669860  
1 1 1 -25 11 16 o 3.279391  0.9368301     16.60593       13.20179  10.29406       13.98868      0.3832824      1.873660  
1 1 1 -25 11 17 o 3.702573  0.9766906     11.33364       14.48036  37.11516       15.54939      -1.619638      1.953381  
1 1 1 -25 11 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 13 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 13 2  o 2.376810  0.6765410     3.779294       6.966146  1.554365       7.043162      0.1869595      1.353082  
1 1 1 -25 13 3  o 5.498119  0.5350249     35.77340       8.269838  26.23341       7.820888      0.8803993      1.070050  
1 1 1 -25 13 4  o 10.52701  0.5127406     114.9947       15.57463  110.5058       14.79762      0.2050991      1.025481  
1 1 1 -25 13 5  o 7.566458  0.4851046     53.11587       10.26476  63.20219       10.22342      -0.6749846     0.9702092 
1 1 1 -25 13 6  o 7.744433  0.5917985     72.60770       12.26933  49.78199       12.91069      1.520382       1.183597  
1 1 1 -25 13 7  o 7.314188  0.5381685     58.04667       10.26777  50.84187       11.78522      0.5318061      1.076337  
1 1 1 -25 13 8  o 4.698807  0.9493420     18.02654       11.05385  33.04015       16.34749      -1.340160      1.898684  
1 1 1 -25 13 9  o 4.271787  1.053821      21.89275       17.93054  16.61181       13.87066      0.5279666      2.107643  
1 1 1 -25 13 10 o 6.775898  0.6090836     48.70330       11.16917  48.03150       11.66518      0.6683160E-01  1.218167  
1 1 1 -25 13 11 o 3.847806  0.8426664     22.17800       10.44320  9.361539       10.80457      1.200335       1.685333  
1 1 1 -25 13 12 o 8.676996  0.5880973     80.60708       13.95170  80.19337       14.58193      0.5054840E-01  1.176195  
1 1 1 -25 13 13 o 6.463375  0.7261387     41.65359       12.17735  53.30186       13.43362      -0.8357985     1.452277  
1 1 1 -25 13 14 o 2.860932  0.8134694     -13.33107      11.75343  20.98304       13.50624      -1.965630      1.626939  
1 1 1 -25 13 15 o 2.345852  0.7803591     -3.510272      12.49455  -8.681983      14.26754      0.3596486E-01  1.560718  
1 1 1 -25 13 16 o 3.987595  0.9760999     37.98764       14.34949  14.49832       15.69007      1.705876       1.952200  
1 1 1 -25 13 17 o 2.737103  0.9445097     7.455906       23.50065  5.497827       24.34841      0.2676954E-01  1.889019  
1 1 1 -25 15 1  o 5.715699  0.7087217     28.79667       9.629314  41.54048       12.74838      -1.047877      1.417443  
1 1 1 -25 15 2  o 18.01496  0.7254352     323.7373       36.66667  346.3262       36.92709      -0.6250777     1.450870  
1 1 1 -25 15 3  f 17.36463  0.7650713     300.0546       40.27668  322.9508       35.00420      -0.7595373     1.530143  
1 1 1 -25 15 4  o 6.106491  0.5985872     38.08249       10.50622  39.38828       9.666156      -0.1307483     1.197174  
1 1 1 -25 15 5  o 10.09315  0.5153253     107.6596       14.68295  100.7452       14.53058      0.3420284      1.030651  
1 1 1 -25 15 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 15 7  o 11.91984  0.5657914     155.2125       18.86580  137.5595       19.02232      0.7483500      1.131583  
1 1 1 -25 15 8  o 9.108319  0.5608097     95.79359       13.75240  75.32814       14.74335      1.165629       1.121619  
1 1 1 -25 15 9  o 7.568111  0.6005355     65.50903       12.09245  54.26030       13.14244      0.7964348      1.201071  
1 1 1 -25 15 10 o 6.163617  0.7319137     42.44142       11.76531  41.47052       12.95009      0.1433293      1.463827  
1 1 1 -25 15 11 o 2.456648  0.7784930     0.1346967      11.07585  -4.903720      11.39832      0.2148821      1.556986  
1 1 1 -25 15 12 o 2.529635  0.8060496     1.511197       12.21913  -5.640222      12.33018      0.3189986      1.612099  
1 1 1 -25 15 13 o 3.153608  0.8449337     -7.757213      11.90218  25.86852       13.60824      -2.134682      1.689867  
1 1 1 -25 15 14 o 3.077618  0.8724744     22.32679       12.72728  -7.959666      15.12662      1.505952       1.744949  
1 1 1 -25 15 15 o 5.693268  0.9973741     50.31701       15.01927  53.29405       17.26334      0.1590519      1.994748  
1 1 1 -25 15 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 17 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 17 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 17 3  o 5.036507  0.7963995     24.13178       11.80100  30.34653       10.61019      -0.6314456     1.592799  
1 1 1 -25 17 4  o 4.107823  0.7096913     -4.962809      11.10481  35.10556       10.27705      -3.354178      1.419383  
1 1 1 -25 17 5  o 5.438262  0.7339462     33.89690       10.90058  30.20957       10.84697      0.3418970      1.467892  
1 1 1 -25 17 6  o 5.076512  0.8150933     22.34738       12.25153  33.60888       11.14797      -1.099239      1.630187  
1 1 1 -25 17 7  o 8.680765  0.5807397     84.38266       14.03797  74.11586       14.09506      0.6002482      1.161479  
1 1 1 -25 17 8  o 5.718260  0.7907367     40.01380       11.75262  32.66385       13.17969      0.7266983      1.581473  
1 1 1 -25 17 9  o 3.287670  0.8926935     13.49406       11.20779  6.115854       12.67707      0.4586807      1.785387  
1 1 1 -25 17 10 o 6.005077  0.8034269     31.22866       12.44304  53.23105       13.82334      -1.757065      1.606854  
1 1 1 -25 17 11 o 3.548307  0.8539663     -3.732011      12.48564  29.71008       12.82400      -2.346768      1.707933  
1 1 1 -25 17 12 o 2.790118  0.8629476     10.47859       12.85892  -3.045775      13.98862      0.5907059      1.725895  
1 1 1 -25 17 13 o 2.778894  0.8673950     -3.238923      13.12060  16.76997       15.22276      -1.003169      1.734790  
1 1 1 -25 17 14 f 2.576780  0.8486519     6.419363       14.04918  -1.631150      16.63293      0.1738905      1.697304  
1 1 1 -25 17 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 19 1  o 10.74191  0.5698681     122.3703       16.98347  119.5076       17.39708      0.1467138      1.139736  
1 1 1 -25 19 2  f 4.125367  0.9090741     19.07270       11.78673  19.43292       11.70984      -0.3313651E-01 1.818148  
1 1 1 -25 19 3  o 6.435427  0.7288407     38.98210       13.00408  50.71616       12.56837      -0.9615300     1.457681  
1 1 1 -25 19 4  o 3.410951  0.9087606     7.158108       12.68895  14.29130       11.64779      -0.4782817     1.817521  
1 1 1 -25 19 5  o 2.523401  0.7947605     -0.6972115     11.68487  -2.941091      11.26056      0.1582081      1.589521  
1 1 1 -25 19 6  o 9.261157  0.7043657     98.12637       18.11483  91.20459       18.18113      0.3823726      1.408731  
1 1 1 -25 19 7  o 2.879241  0.8524312     -2.529844      11.87071  11.47334       12.56024      -0.8792972     1.704862  
1 1 1 -25 19 8  o 6.520166  0.7810850     54.06537       13.90497  45.24046       13.82151      0.6871894      1.562170  
1 1 1 -25 19 9  o 3.695944  0.9341254     25.08654       12.78115  7.710603       13.88784      1.262531       1.868251  
1 1 1 -25 19 10 o 2.887789  0.8897094     0.8744613      13.50218  11.13371       14.21812      -0.5481654     1.779419  
1 1 1 -25 19 11 o 2.219575  0.7585080     -10.24656      13.72371  -12.70820      15.24334      -0.4905676E-01 1.517016  
1 1 1 -25 19 12 o 3.156010  0.9460204     5.946407       14.51944  26.90985       16.30599      -1.054827      1.892041  
1 1 1 -25 19 13 o 2.559893  0.8604107     1.975843       15.81788  6.338521       18.16399      -0.1852365     1.720821  
1 1 1 -25 19 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 21 1  o 5.429186  0.8390032     21.76133       11.32818  49.78566       14.20697      -2.316015      1.678006  
1 1 1 -25 21 2  o 5.765728  0.8431547     31.13995       12.62870  47.94704       14.01066      -1.354700      1.686309  
1 1 1 -25 21 3  o 7.379754  0.7367960     59.03173       14.67835  65.69468       15.19976      -0.4228370     1.473592  
1 1 1 -25 21 4  o 5.968951  0.9194900     52.34698       15.14714  35.47643       15.38341      1.406266       1.838980  
1 1 1 -25 21 5  o 2.880407  0.8857448     -3.766363      15.28705  8.700905       12.66811      -0.4251915     1.771490  
1 1 1 -25 21 6  f 4.616003  0.9859716     38.06824       15.11229  21.40491       13.45335      1.300533       1.971943  
1 1 1 -25 21 7  o 3.871184  0.9785169     17.20012       14.16108  24.77331       13.41850      -0.5925545     1.957034  
1 1 1 -25 21 8  o 3.739318  0.9719195     32.11156       15.19824  10.72585       13.54043      1.446982       1.943839  
1 1 1 -25 21 9  o 5.159741  0.9881983     56.15181       15.56791  27.40910       17.45693      2.402694       1.976397  
1 1 1 -25 21 10 o 2.773284  0.9005395     0.4926987      15.63311  15.38616       17.10255      -0.5770186     1.801079  
1 1 1 -25 21 11 o 3.039112  1.013297      27.39940       22.81751  13.20815       22.74029      0.3691684      2.026594  
1 1 1 -25 21 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 23 1  o 3.315150  0.9418735     5.403964       12.98240  24.13584       15.45398      -1.177838      1.883747  
1 1 1 -25 23 2  o 7.225116  0.8522028     78.36528       15.46744  54.65070       18.43600      2.080133       1.704406  
1 1 1 -25 23 3  o 3.646722  1.013954      23.27661       15.42579  16.72391       15.42740      0.4103208      2.027908  
1 1 1 -25 23 4  o 3.254530  0.9342599     27.99244       15.55609  -0.3542342     14.65168      1.534924       1.868520  
1 1 1 -25 23 5  o 2.349232  0.7974877     0.1411740      16.05157  -15.79832      15.10205      0.4986987      1.594975  
1 1 1 -25 23 6  o 2.771795  0.8755178     -7.939846      15.83167  18.78574       15.01580      -1.027761      1.751036  
1 1 1 -25 23 7  o 4.259179  1.071848      46.52026       17.63267  27.56856       15.64973      1.090907       2.143696  
1 1 1 -25 23 8  o 2.285020  0.7883447     -0.5831700     17.28958  -11.84766      15.98001      0.3159963      1.576689  
1 1 1 -25 23 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 25 1  o 2.751476  0.8968102     11.66706       15.23735  6.304741       17.53321      0.1534160      1.793620  
1 1 1 -25 25 2  o 2.884228  0.9124330     -5.166900      15.66522  36.44367       19.32324      -1.517243      1.824866  
1 1 1 -25 25 3  o 3.207739  1.623307      ?              ?         60.23291       51.45288      ?              ?         
1 1 1 -25 25 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -25 25 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 0  4  o 6.193552  1.158552      42.38907       12.88067  42.38907       12.88067      ?              ?         
1 1 1 -24 0  5  o 8.364993  0.5540821     71.00848       9.175097  71.00848       9.175097      ?              ?         
1 1 1 -24 0  6  o 21.41254  1.188668      466.3294       50.54350  466.3294       50.54350      ?              ?         
1 1 1 -24 0  7  o 5.459834  0.5263821     30.67878       5.617228  30.67878       5.617228      ?              ?         
1 1 1 -24 0  8  o 14.05438  0.7945908     200.2017       22.17039  200.2017       22.17039      ?              ?         
1 1 1 -24 0  9  o 1.662429  0.9651838     3.386809       5.256480  3.386809       5.256480      ?              ?         
1 1 1 -24 0  10 o 23.38181  1.291107      559.4395       59.95296  559.4395       59.95296      ?              ?         
1 1 1 -24 0  11 o 15.62079  0.8939176     248.3809       27.71645  248.3809       27.71645      ?              ?         
1 1 1 -24 0  12 o 9.351855  0.7835937     89.94229       14.41066  89.94229       14.41066      ?              ?         
1 1 1 -24 0  13 f 17.30172  0.9860666     306.8388       33.86571  306.8388       33.86571      ?              ?         
1 1 1 -24 0  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 0  15 o 7.205783  0.8026373     54.73901       11.20019  54.73901       11.20019      ?              ?         
1 1 1 -24 0  16 o 1.693275  1.126565      -2.083391      10.24684  -2.083391      10.24684      ?              ?         
1 1 1 -24 0  17 f 3.838424  1.536873      22.30903       11.44701  22.30903       11.44701      ?              ?         
1 1 1 -24 0  18 o 2.469264  1.455072      10.01326       12.24527  10.01326       12.24527      ?              ?         
1 1 1 -24 0  19 o 1.366908  0.9853914     -19.17953      13.54214  -19.17953      13.54214      ?              ?         
1 1 1 -24 0  20 o 1.630760  1.150737      -8.509781      15.02588  -8.509781      15.02588      ?              ?         
1 1 1 -24 2  1  o 19.25509  0.7384712     360.9200       40.01778  391.8934       40.07544      -0.8067948     1.476942  
1 1 1 -24 2  2  o 1.504631  0.4649489     -1.316729      3.837139  -0.3977938     3.675185      -0.5171575E-01 0.9298978 
1 1 1 -24 2  3  o 6.290762  0.3399711     43.92536       6.047143  35.73966       5.924743      0.6550246      0.6799421 
1 1 1 -24 2  4  o 12.31178  0.5697419     159.7832       17.10612  142.5340       23.77851      0.7616265      1.139484  
1 1 1 -24 2  5  o 16.51822  0.9140891     288.8589       42.14453  269.6193       42.55292      0.5905098      1.828178  
1 1 1 -24 2  6  o 2.679145  0.6651645     1.717049       5.877465  11.19770       7.468504      -1.189169      1.330329  
1 1 1 -24 2  7  o 5.042876  0.5555046     21.20294       7.674358  30.46597       7.566261      -0.9504697     1.111009  
1 1 1 -24 2  8  o 10.94058  0.6508470     124.9147       19.91172  118.6235       19.98463      0.2904937      1.301694  
1 1 1 -24 2  9  o 6.989232  0.5538678     52.42054       10.51741  46.92194       10.99120      0.4068174      1.107736  
1 1 1 -24 2  10 o 19.30674  1.114467      402.7569       60.28480  379.1829       60.32704      0.6157568      2.228934  
1 1 1 -24 2  11 f 3.041722  0.7865676     12.29143       8.912925  0.7303347      9.901684      0.8948883      1.573135  
1 1 1 -24 2  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 2  13 o 16.81429  1.012990      294.5230       47.51576  312.0009       47.88633      -0.5142301     2.025980  
1 1 1 -24 2  14 o 6.388864  0.7820153     57.70257       19.84980  37.21241       10.52491      1.252792       1.564031  
1 1 1 -24 2  15 o 9.438269  0.5412861     74.93757       14.12735  110.3736       14.15791      -1.899362      1.082572  
1 1 1 -24 2  16 o 3.510097  0.7344222     27.54902       10.35755  -8.180689      10.57181      2.796534       1.468844  
1 1 1 -24 2  17 o 2.504673  0.7861369     -1.054046      10.96744  0.9033492E-01  11.26800      -0.8898358E-01 1.572274  
1 1 1 -24 2  18 o 2.381998  0.7776422     -7.096389      12.21738  -0.3249766     12.42217      -0.2930298     1.555284  
1 1 1 -24 2  19 o 2.770655  0.8692081     10.06172       13.60180  2.300196       13.80781      0.3539130      1.738416  
1 1 1 -24 2  20 o 3.525162  0.9513725     41.67581       15.61950  6.831495       15.69614      1.960565       1.902745  
1 1 1 -24 4  1  o 9.349030  0.4193496     76.55151       11.72721  98.43592       10.24642      -1.192522      0.8386991 
1 1 1 -24 4  2  o 8.856068  0.3705929     72.88025       9.087687  84.94602       9.370098      -0.6825214     0.7411857 
1 1 1 -24 4  3  o 9.764583  0.3907885     102.1359       10.80485  89.63091       10.66842      0.6422769      0.7815770 
1 1 1 -24 4  4  o 9.569216  0.4139819     90.51270       11.36443  93.84682       10.94678      -0.1777075     0.8279638 
1 1 1 -24 4  5  o 17.69629  0.6975293     314.5224       34.72744  320.5383       34.82030      -0.1698555     1.395059  
1 1 1 -24 4  6  o 15.37033  0.6025441     238.4152       26.08213  239.4641       26.10252      -0.3409160E-01 1.205088  
1 1 1 -24 4  7  o 15.15459  0.5939697     223.9247       25.23837  240.5685       25.46133      -0.5495109     1.187939  
1 1 1 -24 4  8  o 6.671910  0.3790087     45.29755       7.138227  44.65821       7.046631      0.4732479E-01  0.7580174 
1 1 1 -24 4  9  o 10.89387  0.4623389     119.7262       14.13567  120.0838       14.22521      -0.1575469E-01 0.9246778 
1 1 1 -24 4  10 o 17.56433  1.015067      324.8006       49.96156  319.7506       50.01211      0.1455665      2.030134  
1 1 1 -24 4  11 o 3.563267  0.6656592     16.90650       6.974542  9.285363       6.979691      0.9396929      1.331318  
1 1 1 -24 4  12 o 3.912539  0.6975372     11.88577       7.638088  20.37002       8.030237      -0.9929692     1.395074  
1 1 1 -24 4  13 o 7.640606  0.4998253     63.42477       10.49682  55.83857       10.83871      0.5088081      0.9996505 
1 1 1 -24 4  14 o 7.987249  0.6231730     64.50410       11.91150  71.37868       17.15846      -0.2816381     1.246346  
1 1 1 -24 4  15 o 5.385430  0.9187188     42.88013       13.79749  20.95476       15.52746      1.877360       1.837438  
1 1 1 -24 4  16 o 4.829852  1.026811      31.09479       14.05184  25.04435       17.31164      0.5536194      2.053623  
1 1 1 -24 4  17 o 4.550388  1.077515      29.42009       14.99363  25.60318       18.60148      0.3691591      2.155031  
1 1 1 -24 4  18 o 3.239028  0.9989151     1.491698       15.84810  21.75261       19.97186      -1.011130      1.997830  
1 1 1 -24 4  19 o 5.294132  1.005274      3.615333       18.10236  100.9496       23.42878      -5.110591      2.010549  
1 1 1 -24 4  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 6  1  o 28.04829  1.062038      763.4459       83.78423  852.3392       83.96221      -1.589211      2.124077  
1 1 1 -24 6  2  o 19.93016  0.7519798     394.2257       42.18274  412.2466       42.27475      -0.4528346     1.503960  
1 1 1 -24 6  3  f 15.09312  0.5735932     231.8323       24.44167  228.4312       24.35073      0.1124249      1.147186  
1 1 1 -24 6  4  o 32.15499  1.249182      1063.118       113.1713  1083.373       113.1683      -0.3159829     2.498363  
1 1 1 -24 6  5  o 9.532410  0.4354149     87.96942       10.99495  95.95008       12.47186      -0.4093757     0.8708299 
1 1 1 -24 6  6  o 9.408929  0.4203193     83.76829       10.85328  94.82362       11.39307      -0.5862471     0.8406387 
1 1 1 -24 6  7  o 23.90042  0.9197704     577.8762       61.89038  593.7908       61.98599      -0.3330203     1.839541  
1 1 1 -24 6  8  o 6.769116  0.3994310     56.71280       7.510951  36.19506       7.400796      1.533902       0.7988619 
1 1 1 -24 6  9  o 11.58278  0.4872003     135.3240       15.82434  136.1893       15.95442      -0.3635562E-01 0.9744006 
1 1 1 -24 6  10 o 12.05159  0.5140297     144.7076       17.39886  149.9567       17.47766      -0.2178136     1.028059  
1 1 1 -24 6  11 o 15.05925  0.6138710     242.3221       26.01297  220.7203       26.02473      0.7204520      1.227742  
1 1 1 -24 6  12 o 8.256738  0.4740726     75.46454       10.78823  62.98072       11.11630      0.7691288      0.9481452 
1 1 1 -24 6  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 6  14 o 3.287380  0.7564631     0.4592324E-01  8.913456  19.92659       9.574614      -1.860575      1.512926  
1 1 1 -24 6  15 f 7.063881  0.6021160     47.17704       11.72783  58.58555       11.74005      -0.8242643     1.204232  
1 1 1 -24 6  16 o 5.922255  0.7376612     42.91582       11.86569  36.19847       11.91653      0.5838082      1.475322  
1 1 1 -24 6  17 o 2.056714  0.6988534     -7.433094      11.56961  -19.53285      12.49337      0.2711268      1.397707  
1 1 1 -24 6  18 o 2.669635  0.8414848     -2.104089      12.72433  8.743453       13.50964      -0.5537188     1.682970  
1 1 1 -24 6  19 f 3.129131  0.9367494     11.02535       13.97642  20.62239       14.97654      -0.5102223     1.873499  
1 1 1 -24 6  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 8  1  o 14.07256  0.5437766     198.7209       21.46262  201.1902       21.66170      -0.8673770E-01 1.087553  
1 1 1 -24 8  2  o 16.12320  0.6161093     261.1988       27.93860  264.7194       28.04515      -0.1087909     1.232219  
1 1 1 -24 8  3  o 12.48512  0.5023944     153.4293       17.78012  160.9517       17.55087      -0.3038663     1.004789  
1 1 1 -24 8  4  o 16.42948  0.6235334     276.0692       28.99011  270.4233       28.74735      0.1706209      1.247067  
1 1 1 -24 8  5  o 14.52963  0.5766511     216.6229       23.64963  210.4739       23.55274      0.2116004      1.153302  
1 1 1 -24 8  6  o 19.16303  0.7591411     369.5005       40.86023  378.9751       41.09937      -0.2458625     1.518282  
1 1 1 -24 8  7  o 29.34525  1.164691      896.5541       96.23791  903.4264       96.32565      -0.1162557     2.329383  
1 1 1 -24 8  8  o 16.12763  0.6332971     272.8636       28.70025  255.8843       28.83011      0.5296013      1.266594  
1 1 1 -24 8  9  o 4.331872  0.8934126     20.07788       13.95445  19.40578       10.14125      0.1404550      1.786825  
1 1 1 -24 8  10 o 9.883040  0.4665368     104.7740       12.94405  93.13609       12.96202      0.5924965      0.9330736 
1 1 1 -24 8  11 o 21.49365  0.8573331     504.8949       51.89490  460.6360       51.85240      1.032994       1.714666  
1 1 1 -24 8  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 8  13 o 18.22442  0.7526484     337.8937       38.47950  364.0054       38.73835      -0.7122365     1.505297  
1 1 1 -24 8  14 o 2.309657  0.7253240     -6.429029      9.390574  1.701286       10.00418      -0.5249464     1.450648  
1 1 1 -24 8  15 o 7.388592  0.6101247     55.11340       12.33471  62.42002       12.64927      -0.4876776     1.220249  
1 1 1 -24 8  16 o 8.579884  0.6125098     78.52244       14.54720  83.48678       14.76408      -0.2795840     1.225020  
1 1 1 -24 8  17 o 4.444517  0.9417328     21.64759       12.60205  32.61531       13.29936      -0.9308193     1.883466  
1 1 1 -24 8  18 o 5.740640  0.9119754     59.62328       14.67080  34.36578       15.53244      2.196072       1.823951  
1 1 1 -24 8  19 o 2.353123  0.7982512     -3.623004      14.44004  -0.3198120     16.23801      -0.1713269     1.596502  
1 1 1 -24 10 1  o 4.733562  0.4070211     22.34594       4.953064  23.47829       5.827101      -0.1059907     0.8140422 
1 1 1 -24 10 2  f 13.78141  0.5430841     194.5196       21.02463  189.3245       21.14390      0.1899439      1.086168  
1 1 1 -24 10 3  o 8.329214  0.4022403     63.58341       9.603070  75.79848       9.204368      -0.7424744     0.8044806 
1 1 1 -24 10 4  o 18.23539  0.7078653     346.2491       36.50156  330.0996       36.22438      0.4418488      1.415731  
1 1 1 -24 10 5  o 18.13277  0.7049138     338.9968       36.04908  330.4843       35.97435      0.2347818      1.409828  
1 1 1 -24 10 6  o 20.06936  0.8395014     404.6938       44.33911  425.2714       51.26907      -0.4334875     1.679003  
1 1 1 -24 10 7  o 12.46807  1.849212      ?              ?         168.2966       44.71684      ?              ?         
1 1 1 -24 10 8  o 10.38078  0.4735606     114.1551       13.56722  103.7293       14.08885      0.5106021      0.9471212 
1 1 1 -24 10 9  f 8.485357  0.4578645     75.65520       10.74365  70.39919       11.06478      0.3160421      0.9157290 
1 1 1 -24 10 10 o 1.975228  0.6347893     -3.372751      7.685515  -5.542578      7.821835      0.9975116E-01  1.269579  
1 1 1 -24 10 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 10 12 o 4.733012  0.7238802     28.18673       9.195638  19.23912       9.910797      0.9474773      1.447760  
1 1 1 -24 10 13 o 2.885211  0.7825828     12.29334       9.291769  -2.529896      10.32762      1.027085       1.565166  
1 1 1 -24 10 14 o 1.915395  0.6488850     -18.77785      9.818809  -6.607735      10.95452      -0.5614259     1.297770  
1 1 1 -24 10 15 o 3.518523  0.8727357     19.58858       10.98818  7.235332       11.60733      1.009118       1.745471  
1 1 1 -24 10 16 o 3.983341  0.8794684     30.37932       11.99207  8.864850       12.35160      1.814534       1.758937  
1 1 1 -24 10 17 o 3.433552  0.9338534     21.94955       12.92311  10.58033       13.51107      0.7843902      1.867707  
1 1 1 -24 10 18 o 2.421244  0.7954901     12.36030       13.85239  -17.94264      15.46457      0.8954672      1.590980  
1 1 1 -24 10 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 12 1  f 2.676108  0.6269422     5.214815       5.204525  8.788581       5.987344      -0.5223387     1.253884  
1 1 1 -24 12 2  o 14.35564  0.6149739     205.1560       26.84241  212.4374       23.24365      -0.2884571     1.229948  
1 1 1 -24 12 3  o 13.87909  0.5709714     197.9701       22.52323  192.8580       22.11395      0.1811254      1.141943  
1 1 1 -24 12 4  o 2.208301  0.5545872     11.69507       6.806874  -14.20719      5.977296      2.091894       1.109174  
1 1 1 -24 12 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 12 6  o 10.83010  0.4823849     116.5729       14.56706  121.2615       14.83492      -0.2146001     0.9647697 
1 1 1 -24 12 7  o 13.77316  0.5769820     196.4122       22.07332  190.0560       22.68716      0.2389996      1.153964  
1 1 1 -24 12 8  o 5.144264  0.7830627     32.37523       10.77192  23.00301       11.62789      0.9138678      1.566125  
1 1 1 -24 12 9  o 7.536410  0.5096557     74.80322       10.02244  41.91639       10.64123      2.236333       1.019311  
1 1 1 -24 12 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 12 11 o 5.885355  0.6373222     47.13350       9.904082  25.36720       10.24321      1.923850       1.274644  
1 1 1 -24 12 12 o 4.377121  0.7722340     29.03652       9.778490  11.72032       10.60163      1.733729       1.544468  
1 1 1 -24 12 13 o 3.114691  0.8129322     -0.8839884     9.891176  18.00967       11.19157      -1.555185      1.625864  
1 1 1 -24 12 14 o 3.907151  0.8872957     20.17100       10.55576  15.66129       12.12067      0.4197233      1.774591  
1 1 1 -24 12 15 o 3.137811  0.8775696     3.371375       11.63144  16.86937       12.47497      -0.9580437     1.755139  
1 1 1 -24 12 16 o 2.079217  0.7091073     -3.453701      12.60629  -23.29267      13.24161      0.5006117      1.418215  
1 1 1 -24 12 17 o 4.509810  0.8508641     55.56071       14.30046  4.413874       15.14383      3.637570       1.701728  
1 1 1 -24 12 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 14 1  o 18.48781  0.7268613     346.0842       37.72591  354.5701       37.98901      -0.2270090     1.453723  
1 1 1 -24 14 2  o 3.202265  0.6672869     4.180820       6.678097  16.21649       7.203007      -1.438268      1.334574  
1 1 1 -24 14 3  o 10.56633  0.5530271     111.6371       18.73957  115.0522       14.77322      -0.2131476     1.106054  
1 1 1 -24 14 4  o 6.849100  0.4916173     53.64545       9.910603  42.45121       8.859312      0.8096598      0.9832346 
1 1 1 -24 14 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 14 6  o 14.53024  0.6062679     219.9913       24.72516  212.3651       24.88038      0.2656335      1.212536  
1 1 1 -24 14 7  o 5.692897  0.6143414     26.92486       8.835389  40.99119       10.20610      -1.230623      1.228683  
1 1 1 -24 14 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 14 9  o 6.096271  0.6385259     49.62682       9.920371  27.40022       11.00904      1.923525       1.277052  
1 1 1 -24 14 10 o 6.807402  0.6214197     64.99378       11.06265  32.86563       11.31387      2.442825       1.242839  
1 1 1 -24 14 11 o 4.068466  0.8398771     17.96366       10.02087  19.48319       10.52006      -0.1517770     1.679754  
1 1 1 -24 14 12 f 3.283009  0.8621584     12.43656       10.21940  8.569415       11.35843      0.2589044      1.724317  
1 1 1 -24 14 13 o 5.426291  0.7680613     51.56173       11.45644  16.32998       12.73258      3.128026       1.536123  
1 1 1 -24 14 14 o 3.640957  0.9244765     12.32495       11.46290  22.05370       13.16156      -0.7825602     1.848953  
1 1 1 -24 14 15 o 3.518324  0.8877036     0.3260772      12.31823  32.90939       14.11435      -2.219174      1.775407  
1 1 1 -24 14 16 o 4.258715  1.030256      32.45653       14.34835  31.74835       15.67795      0.1920265      2.060512  
1 1 1 -24 14 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 16 1  o 17.52321  0.7689330     320.9239       35.41439  315.7054       41.04487      0.2499937      1.537866  
1 1 1 -24 16 2  o 6.521640  0.5127754     41.08751       9.019561  46.38525       9.574443      -0.4006171     1.025551  
1 1 1 -24 16 3  o 8.506367  0.5292460     75.73646       13.49324  72.92382       11.86790      0.1385892      1.058492  
1 1 1 -24 16 4  o 1.843445  0.6205984     -9.130539      9.204406  -12.60674      8.626873      0.2214691      1.241197  
1 1 1 -24 16 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 16 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 16 7  o 10.20335  0.5322959     113.5883       15.13375  100.7040       15.34007      0.6405510      1.064592  
1 1 1 -24 16 8  o 5.927455  0.6773130     37.08071       10.50854  38.46939       11.49703      -0.8039055E-01 1.354626  
1 1 1 -24 16 9  o 3.612562  0.8094074     21.84072       9.926691  3.179949       10.91052      1.617646       1.618815  
1 1 1 -24 16 10 o 4.126592  0.8722669     18.95408       10.32519  20.61275       11.70427      -0.1477915     1.744534  
1 1 1 -24 16 11 o 6.464987  0.7201019     63.91060       12.16686  29.63108       12.56409      2.751526       1.440204  
1 1 1 -24 16 12 o 2.254628  0.7360346     -14.69554      11.00294  2.561270       12.50897      -0.8511086     1.472069  
1 1 1 -24 16 13 o 6.927541  0.7487633     65.16817       13.37044  47.94262       15.01086      1.456445       1.497527  
1 1 1 -24 16 14 o 8.009346  0.7486978     86.66376       15.59048  72.18887       17.45238      1.172312       1.497396  
1 1 1 -24 16 15 o 2.408566  0.8040366     -10.79760      13.68241  9.534563       16.16357      -0.7735599     1.608073  
1 1 1 -24 16 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 18 1  o 7.457713  0.5667982     61.58556       11.57710  53.41667       11.91876      0.5652508      1.133596  
1 1 1 -24 18 2  o 10.66335  0.5397142     125.1136       15.87548  108.5433       16.42917      0.7948666      1.079428  
1 1 1 -24 18 3  o 5.327635  0.7190500     36.29754       10.32804  23.78676       10.66108      1.204001       1.438100  
1 1 1 -24 18 4  o 7.400816  0.6151824     61.29177       13.34390  54.34922       11.99092      0.4332703      1.230365  
1 1 1 -24 18 5  o 5.402936  0.7346995     34.63770       11.11003  29.06912       10.51661      0.4978977      1.469399  
1 1 1 -24 18 6  o 3.280696  0.8269601     2.990686       10.33963  16.72004       10.31290      -1.157951      1.653920  
1 1 1 -24 18 7  o 9.360609  0.5631989     103.1807       14.69113  80.89189       14.70743      1.205277       1.126398  
1 1 1 -24 18 8  o 3.314559  0.8914812     7.365530       11.10760  14.08336       12.26326      -0.5751293     1.782962  
1 1 1 -24 18 9  o 3.859589  0.9102807     19.50710       11.18313  15.20384       12.43881      0.3719868      1.820561  
1 1 1 -24 18 10 o 2.549118  0.8088018     -3.475603      11.67047  1.520604       12.65926      -0.3273261     1.617604  
1 1 1 -24 18 11 o 3.286643  0.9128262     13.95654       12.17603  10.47124       12.75575      0.2272580      1.825652  
1 1 1 -24 18 12 f 4.335260  0.9761496     21.47525       12.78943  34.80857       14.59199      -0.9956982     1.952299  
1 1 1 -24 18 13 o 3.014794  0.9020847     17.41794       12.81662  3.243904       15.37079      0.6832405      1.804169  
1 1 1 -24 18 14 o 3.410445  0.9480287     33.67109       14.40754  6.846430       16.81882      1.528582       1.896057  
1 1 1 -24 18 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 20 1  o 10.59857  0.5719302     110.6540       16.40944  126.5818       17.62540      -0.7142069     1.143860  
1 1 1 -24 20 2  o 3.335443  0.8713532     6.729152       10.60304  15.23692       11.57201      -0.7447906     1.742706  
1 1 1 -24 20 3  o 3.917532  0.8879929     12.05141       11.25732  22.53979       11.57856      -0.9588998     1.775986  
1 1 1 -24 20 4  o 3.733361  0.9070621     7.245833       13.49691  20.86334       11.32348      -1.011639      1.814124  
1 1 1 -24 20 5  o 2.739939  0.8263732     0.9091421      11.57747  4.300352       11.08494      -0.1573368     1.652746  
1 1 1 -24 20 6  o 2.623267  0.8071244     4.527036       11.32995  -2.463411      11.32548      0.3875590      1.614249  
1 1 1 -24 20 7  f 9.484715  0.6164499     105.1057       16.70062  92.92360       15.97840      0.6056034      1.232900  
1 1 1 -24 20 8  o 6.521746  0.7676444     57.67538       13.81013  42.26764       13.38310      1.177234       1.535289  
1 1 1 -24 20 9  o 4.201606  0.7637601     45.38691       12.61219  -11.06417      14.04254      3.835421       1.527520  
1 1 1 -24 20 10 o 5.090112  0.9215575     19.60706       13.96020  54.52510       15.13851      -2.753662      1.843115  
1 1 1 -24 20 11 o 4.461534  0.8833104     52.51114       14.55836  4.670257       15.83681      3.361427       1.766621  
1 1 1 -24 20 12 o 2.606041  0.8494699     14.58274       14.61858  -9.133778      16.57609      0.7411547      1.698940  
1 1 1 -24 20 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 22 1  o 8.290718  0.6834918     76.86462       14.27314  78.93952       17.73204      0.1199396      1.366984  
1 1 1 -24 22 2  f 2.895988  0.7990084     -14.61258      11.54479  21.35948       12.86972      -2.111321      1.598017  
1 1 1 -24 22 3  o 8.303794  0.7665988     86.63512       18.94586  76.50330       16.43798      0.4073525      1.533198  
1 1 1 -24 22 4  o 5.010704  0.9529600     33.11684       14.60851  33.22155       13.15365      -0.1229720     1.905920  
1 1 1 -24 22 5  o 3.516453  0.9483062     22.46264       13.92570  8.720312       13.19075      0.9599481      1.896612  
1 1 1 -24 22 6  o 7.124874  0.7922660     67.28348       15.37965  58.17548       15.43291      0.6623092      1.584532  
1 1 1 -24 22 7  o 2.848009  0.8816555     6.576473       13.99319  6.106703       13.09504      0.6489423E-01  1.763311  
1 1 1 -24 22 8  o 2.752930  0.8724723     2.649841       14.25189  7.911251       13.94899      -0.2193166     1.744945  
1 1 1 -24 22 9  o 3.130065  0.9453515     17.22184       14.59948  12.67852       15.17309      0.2358282      1.890703  
1 1 1 -24 22 10 o 2.922610  0.9326610     7.483008       15.99633  20.56541       17.11517      -0.5181545     1.865322  
1 1 1 -24 22 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 24 1  o 2.229722  0.7565469     -4.662435      12.74897  -16.40126      15.34485      0.1325012      1.513094  
1 1 1 -24 24 2  o 3.332187  0.9023599     -3.924081      12.94165  35.70911       16.02696      -2.291249      1.804720  
1 1 1 -24 24 3  o 2.750826  0.8625576     19.78867       15.52878  -11.18107      14.77015      1.280169       1.725115  
1 1 1 -24 24 4  o 3.938797  1.033709      24.71103       16.23825  29.94176       14.86731      -0.4448920     2.067417  
1 1 1 -24 24 5  o 3.441627  0.9991937     26.49078       15.91136  16.03209       15.71164      0.5782583      1.998387  
1 1 1 -24 24 6  o 4.666884  1.147493      65.63161       22.03904  34.46082       16.12884      1.214038       2.294986  
1 1 1 -24 24 7  f 2.586974  0.8612459     -1.568647      17.03899  10.96575       15.94791      -0.3563822     1.722492  
1 1 1 -24 24 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 26 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 26 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 26 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -24 26 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 1  1  o 6.961323  0.4372946     54.03902       8.492543  43.73642       8.490913      0.7488500      0.8745891 
1 1 1 -23 1  2  o 13.43510  0.7124522     217.6781       26.83978  150.3022       26.35879      2.527943       1.424904  
1 1 1 -23 1  3  o 17.96721  1.011578      334.8284       51.01465  331.3470       50.95008      0.9678740E-01  2.023156  
1 1 1 -23 1  4  o 8.817599  0.6153414     77.19268       13.11136  83.03013       18.54125      -0.2702178     1.230683  
1 1 1 -23 1  5  o 14.12145  0.8006318     210.8104       31.43228  195.8281       31.96264      0.5396344      1.601264  
1 1 1 -23 1  6  o 19.66078  1.117712      417.8547       61.55350  380.4839       61.60901      0.9584526      2.235424  
1 1 1 -23 1  7  o 4.014953  0.5774065     16.21671       6.291266  17.41155       6.374662      -0.1479888     1.154813  
1 1 1 -23 1  8  o 13.71235  0.7773708     182.4029       29.81064  200.8966       29.93409      -0.6783643     1.554742  
1 1 1 -23 1  9  o 8.526294  0.4521436     81.60061       13.00908  67.71298       9.284678      0.7808373      0.9042873 
1 1 1 -23 1  10 o 21.46630  0.8446447     451.9301       51.02868  491.8475       51.07552      -0.9328911     1.689289  
1 1 1 -23 1  11 o 13.35356  0.5465727     183.9695       20.58153  177.7304       20.52500      0.2339087      1.093145  
1 1 1 -23 1  12 o 7.498090  0.4334265     51.08824       9.036240  62.71980       9.131691      -0.7821176     0.8668529 
1 1 1 -23 1  13 o 8.268710  0.4588971     65.20202       10.61930  73.72791       10.64718      -0.5192540     0.9177942 
1 1 1 -23 1  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 1  15 o 3.616865  0.7977068     14.47141       9.002458  13.48635       9.093955      0.1019962      1.595414  
1 1 1 -23 1  16 o 8.534904  0.5421535     85.03094       12.94145  67.28680       12.84217      1.049280       1.084307  
1 1 1 -23 1  17 o 5.192078  0.7822633     26.52419       11.02995  35.34055       11.28687      -0.8279578     1.564527  
1 1 1 -23 1  18 o 8.652287  0.6295214     75.11691       15.06518  92.35844       15.17906      -1.003909      1.259043  
1 1 1 -23 1  19 o 2.829915  0.8554130     0.5567399      12.55672  13.32504       12.60532      -0.7027606     1.710826  
1 1 1 -23 1  20 o 3.423446  0.9342705     32.48560       14.29355  8.242170       14.16169      1.496069       1.868541  
1 1 1 -23 1  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 3  1  o 24.14794  0.9236176     582.6664       62.81316  611.9562       62.85704      -0.6080278     1.847235  
1 1 1 -23 3  2  o 12.63858  0.4884864     154.0847       17.31070  168.0260       17.46107      -0.5525631     0.9769728 
1 1 1 -23 3  3  o 17.98240  0.6889892     324.1714       34.91782  331.8901       34.90315      -0.2153873     1.377978  
1 1 1 -23 3  4  o 2.802830  0.4795807     5.957308       4.150227  9.774457       3.631914      -0.6216263     0.9591613 
1 1 1 -23 3  5  o 31.26610  1.233205      999.8621       108.5773  1028.815       108.6546      -0.4636773     2.466411  
1 1 1 -23 3  6  o 7.246271  0.3509983     54.74238       6.981597  50.79239       7.325239      0.2769130      0.7019965 
1 1 1 -23 3  7  o 18.85724  0.7346295     359.9904       39.02563  362.0345       39.03611      -0.5428804E-01 1.469259  
1 1 1 -23 3  8  o 12.67080  0.5056821     166.3722       18.04508  157.5882       18.04414      0.3478617      1.011364  
1 1 1 -23 3  9  o 22.07546  1.004251      487.7353       53.92046  530.4696       76.36219      -0.7049195     2.008501  
1 1 1 -23 3  10 o 8.983558  0.5914863     77.17348       14.71373  87.17896       14.96126      -0.5596949     1.182973  
1 1 1 -23 3  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 3  12 o 18.73773  1.098368      364.1117       57.50815  382.0912       57.84148      -0.4764533     2.196736  
1 1 1 -23 3  13 o 14.18322  0.8479528     190.2091       33.30069  230.8297       33.90133      -1.433963      1.695906  
1 1 1 -23 3  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 3  15 o 6.035211  0.8621431     40.70285       13.30692  40.04752       15.41186      0.1387234      1.724286  
1 1 1 -23 3  16 o 5.998292  0.9005870     49.15073       14.16934  31.20603       16.53388      1.570690       1.801174  
1 1 1 -23 3  17 o 13.89097  1.018538      220.5768       38.54834  253.0931       40.21083      -1.049676      2.037076  
1 1 1 -23 3  18 o 3.590680  1.032795      14.52883       14.57274  16.38565       18.89421      -0.1898879     2.065591  
1 1 1 -23 3  19 o 4.196213  0.9420142     40.80383       14.46125  12.35687       13.52065      2.147092       1.884028  
1 1 1 -23 3  20 o 2.409511  0.7933960     12.58706       14.20320  -12.61978      14.25909      0.8504939      1.586792  
1 1 1 -23 5  1  o 13.42012  0.4979462     165.1497       18.69270  197.8741       18.89680      -1.223204      0.9958923 
1 1 1 -23 5  2  o 7.333500  0.3327430     48.64943       6.704866  59.61768       6.995251      -0.7499242     0.6654859 
1 1 1 -23 5  3  o 22.71571  0.8676268     522.3959       55.54472  530.6437       55.52822      -0.1822299     1.735254  
1 1 1 -23 5  4  o 13.42911  0.5350695     184.6915       20.36087  179.4868       20.12096      0.1928651      1.070139  
1 1 1 -23 5  5  o 5.397199  0.3565284     27.25446       5.259305  31.63864       5.485065      -0.4076634     0.7130567 
1 1 1 -23 5  6  o 14.44814  0.5728890     205.7282       23.23387  216.0528       23.39193      -0.3574841     1.145778  
1 1 1 -23 5  7  o 10.49079  0.4346347     109.2709       12.72451  112.6033       12.95671      -0.1578696     0.8692693 
1 1 1 -23 5  8  o 5.188068  0.3815805     28.07692       5.476176  26.47623       5.555510      0.1573036      0.7631611 
1 1 1 -23 5  9  o 21.30418  0.8332418     451.5761       49.98036  477.1855       50.01908      -0.6027405     1.666484  
1 1 1 -23 5  10 o 4.951169  0.4624619     28.87071       6.267935  20.87385       6.264356      0.8299724      0.9249238 
1 1 1 -23 5  11 f 15.54770  0.6243105     254.4445       27.33413  238.1301       27.32845      0.5265853      1.248621  
1 1 1 -23 5  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 5  13 o 1.575768  0.5400988     -7.352356      7.533496  -19.50011      7.875233      0.3688630      1.080198  
1 1 1 -23 5  14 o 4.788522  0.7853177     27.41926       10.42956  22.33512       10.48060      0.5141469      1.570635  
1 1 1 -23 5  15 o 2.970434  0.7404183     -4.313558      9.079331  16.82735       9.312908      -1.754930      1.480837  
1 1 1 -23 5  16 o 6.505111  0.6416608     35.46675       11.11080  55.61132       11.52227      -1.576016      1.283322  
1 1 1 -23 5  17 o 15.04747  0.7054506     278.2397       29.75819  228.5397       29.75240      1.662999       1.410901  
1 1 1 -23 5  18 o 4.835423  0.8928059     36.68589       12.33609  23.97509       13.11094      1.221358       1.785612  
1 1 1 -23 5  19 o 2.294556  0.7959803     -14.65805      14.78315  -14.99545      20.85421      -0.3601740     1.591961  
1 1 1 -23 5  20 o 2.705314  0.9213965     0.5407730      18.93471  13.96602       22.94499      -0.3735868     1.842793  
1 1 1 -23 7  1  o 24.57560  0.9241319     595.6597       63.91336  638.3120       64.04742      -0.8695564     1.848264  
1 1 1 -23 7  2  o 17.70546  0.6640723     309.5822       33.08418  325.1602       33.17543      -0.4406673     1.328145  
1 1 1 -23 7  3  o 30.96042  1.194204      967.5903       104.1375  1015.429       104.1764      -0.7747357     2.388408  
1 1 1 -23 7  4  o 15.99272  0.6149549     256.0045       27.80643  261.2945       27.61691      -0.1671551     1.229910  
1 1 1 -23 7  5  o 17.60628  0.7329923     311.4551       34.00184  319.2443       39.23428      -0.1817482     1.465985  
1 1 1 -23 7  6  o 3.912911  0.4631903     19.66348       4.605387  10.95513       5.332141      1.159749       0.9263807 
1 1 1 -23 7  7  o 13.51728  0.5438204     194.0115       20.60465  174.8212       20.77617      0.7142466      1.087641  
1 1 1 -23 7  8  o 11.63221  0.4773529     139.0712       15.62240  134.1809       15.64947      0.2111661      0.9547058 
1 1 1 -23 7  9  o 21.27307  0.8266032     480.0468       49.57254  448.0243       49.47761      0.7542833      1.653206  
1 1 1 -23 7  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 7  11 o 14.83106  0.6012932     226.2049       25.08479  222.7196       25.14934      0.1186850      1.202586  
1 1 1 -23 7  12 o 10.42227  0.4868899     118.5697       14.15611  102.0585       14.34484      0.7999336      0.9737799 
1 1 1 -23 7  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 7  14 o 5.582465  0.6346103     33.86262       9.536900  32.34289       9.829194      0.1500571      1.269221  
1 1 1 -23 7  15 o 2.239103  0.7121632     -6.366758      9.418306  -0.3869319     9.683519      -0.3492469     1.424326  
1 1 1 -23 7  16 o 9.021311  0.5645036     85.50187       14.14245  88.61456       14.36730      -0.1639239     1.129007  
1 1 1 -23 7  17 o 9.211037  0.6370215     120.1768       15.57454  69.45072       15.98104      2.835219       1.274043  
1 1 1 -23 7  18 o 10.72484  0.6527890     142.2321       19.39651  126.9617       19.76718      0.7549650      1.305578  
1 1 1 -23 7  19 o 2.085295  0.7164923     -2.045842      13.30091  -22.85491      14.24144      0.4591480      1.432985  
1 1 1 -23 7  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 9  1  f 31.08287  1.169219      968.8719       102.3146  1027.240       102.4692      -0.9403872     2.338439  
1 1 1 -23 9  2  f 6.794355  0.3420853     45.87429       6.405199  47.20108       6.663367      -0.9603515E-01 0.6841706 
1 1 1 -23 9  3  o 12.83625  0.5011183     164.5125       18.34962  167.8267       17.90351      -0.1323222     1.002237  
1 1 1 -23 9  4  o 14.81205  0.5782010     227.3761       24.30328  216.2180       23.94851      0.3754560      1.156402  
1 1 1 -23 9  5  o 37.25877  1.465127      1456.975       153.7479  1477.958       153.8300      -0.2813372     2.930254  
1 1 1 -23 9  6  o 4.944522  0.4255857     25.70093       5.495912  23.87167       6.221155      0.2014976      0.8511713 
1 1 1 -23 9  7  o 12.37446  0.5101203     159.1857       17.63979  150.2313       17.90693      0.3653980      1.020241  
1 1 1 -23 9  8  o 22.42532  0.8396448     534.4991       53.08243  497.9115       53.00853      0.8176777      1.679290  
1 1 1 -23 9  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 9  10 o 20.93677  0.8253074     460.9530       48.67767  446.4658       48.67177      0.3470287      1.650615  
1 1 1 -23 9  11 o 10.24794  0.4774471     116.7884       13.67252  96.33541       13.77954      1.006350       0.9548942 
1 1 1 -23 9  12 o 8.574423  0.5867399     90.94438       13.45499  60.08656       14.16834      1.849211       1.173480  
1 1 1 -23 9  13 o 13.83624  0.5936043     211.5321       22.98884  184.4279       23.19164      0.9893260      1.187209  
1 1 1 -23 9  14 o 4.631266  0.7614120     22.88822       9.577382  24.83562       9.998529      -0.1889156     1.522824  
1 1 1 -23 9  15 o 5.533230  0.7242394     30.15868       10.65791  37.98036       11.13974      -0.6932005     1.448479  
1 1 1 -23 9  16 o 5.746754  0.7514558     48.42065       11.61110  26.75480       12.08338      1.946194       1.502912  
1 1 1 -23 9  17 o 5.146136  0.8762146     35.48923       12.22206  32.99142       13.09783      0.3156037      1.752429  
1 1 1 -23 9  18 o 4.857244  0.9539531     40.86485       13.40153  29.41814       14.70309      1.138950       1.907906  
1 1 1 -23 9  19 o 2.573994  0.8221469     18.85521       13.93874  -12.05288      15.30189      1.091220       1.644294  
1 1 1 -23 11 1  o 20.47960  0.7640685     412.9768       43.99775  440.1541       44.17659      -0.6641976     1.528137  
1 1 1 -23 11 2  o 4.147981  0.4812168     18.57925       5.114026  16.55297       5.879428      0.2682798      0.9624336 
1 1 1 -23 11 3  o 22.62658  0.8678079     526.3957       55.42268  521.2359       55.23621      0.1125899      1.735616  
1 1 1 -23 11 4  o 28.17319  1.067841      869.7813       84.79175  771.4658       84.59476      1.749633       2.135682  
1 1 1 -23 11 5  o 10.98076  0.4638606     122.9428       14.39440  120.6555       14.28726      0.1036956      0.9277212 
1 1 1 -23 11 6  o 6.745654  0.4260727     49.05540       7.455729  42.15167       8.744103      0.5358248      0.8521453 
1 1 1 -23 11 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 11 8  o 6.216228  0.4540275     37.34239       7.505508  41.64849       8.265429      -0.3380658     0.9080550 
1 1 1 -23 11 9  o 7.207620  0.4518441     55.58506       8.907439  49.74148       9.318558      0.4157723      0.9036883 
1 1 1 -23 11 10 o 2.432246  0.6959844     4.666722       7.534405  0.7250982      7.474523      0.3396485      1.391969  
1 1 1 -23 11 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 11 12 o 3.424394  0.7740144     6.497946       8.436994  17.70291       9.244412      -1.182769      1.548029  
1 1 1 -23 11 13 o 2.590657  0.7656054     1.992855       8.930032  3.003433       9.860007      -0.1724843     1.531211  
1 1 1 -23 11 14 o 5.817621  0.6987894     34.07555       10.74284  40.59878       11.40466      -0.5378172     1.397579  
1 1 1 -23 11 15 o 3.079326  0.8289510     15.83673       10.61270  0.4566986      11.02924      1.115835       1.657902  
1 1 1 -23 11 16 o 2.330604  0.7569074     0.8846543E-01  11.16868  -8.095064      11.89623      0.2804254      1.513815  
1 1 1 -23 11 17 o 7.047390  0.7712395     64.91669       14.32543  60.23964       15.47709      0.4903401      1.542479  
1 1 1 -23 11 18 o 2.717388  0.8680182     6.851976       13.38087  8.031491       15.11947      -0.9800646E-01 1.736036  
1 1 1 -23 11 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 13 1  o 17.60682  0.6816594     324.4445       33.72973  306.2591       33.88512      0.5196990      1.363319  
1 1 1 -23 13 2  o 11.06170  0.4695522     117.5493       14.62856  129.5094       14.59731      -0.5433907     0.9391043 
1 1 1 -23 13 3  o 16.99552  0.6559637     293.4124       31.61291  294.5483       31.21665      -0.3735228E-01 1.311927  
1 1 1 -23 13 4  o 11.75589  0.5046229     140.3168       16.99248  139.6934       16.42206      0.2136805E-01  1.009246  
1 1 1 -23 13 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 13 6  o 5.334893  0.5186206     18.68537       7.174482  40.34863       7.447372      -2.088325      1.037241  
1 1 1 -23 13 7  o 6.164785  0.4916395     40.75749       8.063497  36.57681       8.808853      0.3590730      0.9832789 
1 1 1 -23 13 8  o 13.01363  0.5698857     192.8997       20.54920  152.3777       21.01694      1.574339       1.139771  
1 1 1 -23 13 9  f 6.031229  0.5317783     43.26187       8.721218  31.13393       8.868563      1.035794       1.063557  
1 1 1 -23 13 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 13 11 o 7.501987  0.5285135     58.99021       10.86762  57.70280       11.27222      0.9717622E-01  1.057027  
1 1 1 -23 13 12 o 2.114023  0.6778523     -12.78477      8.939367  1.894319       10.17741      -0.8747938     1.355705  
1 1 1 -23 13 13 o 4.281571  0.8295742     14.30532       9.934885  28.28964       11.27222      -1.368556      1.659148  
1 1 1 -23 13 14 o 7.330401  0.6553558     72.50578       12.60074  45.16085       13.32647      1.969641       1.310712  
1 1 1 -23 13 15 o 3.050265  0.8762348     7.094633       11.46102  10.98043       12.27262      -0.2983612     1.752470  
1 1 1 -23 13 16 o 3.420856  0.9248919     19.98684       12.36966  11.63201       13.17681      0.5980940      1.849784  
1 1 1 -23 13 17 o 2.907837  0.8924130     3.049936       13.51019  19.89603       14.81751      -0.8502827     1.784826  
1 1 1 -23 13 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 15 1  o 15.54980  0.7283273     243.6226       31.69310  253.1082       32.00471      -0.3022362     1.456655  
1 1 1 -23 15 2  o 18.47581  0.7273885     353.9211       37.82593  346.8676       37.89382      0.1923867      1.454777  
1 1 1 -23 15 3  o 5.075209  0.5962569     33.37334       9.022209  20.69222       7.442049      1.240933       1.192514  
1 1 1 -23 15 4  o 3.391170  0.7230041     10.48075       7.822486  13.09755       7.309648      -0.2874623     1.446008  
1 1 1 -23 15 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 15 6  o 11.46421  0.5127110     141.3465       16.48132  126.1811       16.56684      0.6661983      1.025422  
1 1 1 -23 15 7  o 4.889076  0.6672625     27.87223       8.398391  21.74767       9.653370      0.6670596      1.334525  
1 1 1 -23 15 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 15 9  o 6.290550  0.6138434     53.79949       9.890366  28.59018       10.67517      2.098889       1.227687  
1 1 1 -23 15 10 o 3.250821  0.8069950     5.924362       9.262520  14.66274       9.648197      -0.8331742     1.613990  
1 1 1 -23 15 11 o 5.256092  0.7359990     40.75843       10.72674  19.67303       10.72038      1.997252       1.471998  
1 1 1 -23 15 12 o 2.666083  0.7942420     -0.5226983     9.732901  7.047977       11.13468      -0.6197165     1.588484  
1 1 1 -23 15 13 o 2.009634  0.6824716     -11.22002      10.29651  -14.36417      12.34523      -0.1329753     1.364943  
1 1 1 -23 15 14 o 4.575274  0.9178324     26.90140       11.71826  28.82560       13.26900      -0.6809115E-01 1.835665  
1 1 1 -23 15 15 o 2.555846  0.7911353     -13.93018      12.04125  16.63452       13.85447      -1.467234      1.582271  
1 1 1 -23 15 16 o 2.159580  0.7402304     -5.025386      13.47063  -15.16970      14.85934      0.1692369      1.480461  
1 1 1 -23 15 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 17 1  o 6.523139  0.5233369     48.09402       9.290541  38.78572       9.607926      0.7347981      1.046674  
1 1 1 -23 17 2  o 14.80177  0.6192822     227.5069       25.70597  222.8654       25.91450      0.1607297      1.238564  
1 1 1 -23 17 3  o 8.535117  0.5279824     83.07336       13.53269  67.15641       11.75790      0.9071871      1.055965  
1 1 1 -23 17 4  o 7.504752  0.8816782     79.14454       20.62213  44.63505       15.53848      2.185112       1.763356  
1 1 1 -23 17 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 17 6  o 8.199778  0.5245966     79.54829       11.87294  58.55733       12.01204      1.301757       1.049193  
1 1 1 -23 17 7  o 7.099959  0.5570986     43.40424       10.81740  61.12203       10.96316      -1.269687      1.114197  
1 1 1 -23 17 8  o 2.905120  0.8114961     3.918746       9.449472  8.351113       10.41694      -0.4289466     1.622992  
1 1 1 -23 17 9  o 7.055845  0.6119817     60.25048       11.38915  44.50626       12.35366      1.188543       1.223963  
1 1 1 -23 17 10 o 7.606699  0.6068053     73.47270       12.05940  49.52790       13.15606      1.668548       1.213611  
1 1 1 -23 17 11 o 8.466701  0.6072105     81.97006       13.95818  73.76465       14.71089      0.5330193      1.214421  
1 1 1 -23 17 12 o 5.813841  0.7677549     63.72729       11.99410  17.58084       13.42562      3.868277       1.535510  
1 1 1 -23 17 13 o 5.764886  0.8423271     42.73496       12.49398  42.57494       14.33694      0.2263932      1.684654  
1 1 1 -23 17 14 o 2.539434  0.8025237     12.77538       12.40013  -15.55441      14.61226      0.9944602      1.605047  
1 1 1 -23 17 15 o 2.942165  0.8980868     20.87973       13.61812  1.751566       16.00702      0.8664668      1.796174  
1 1 1 -23 17 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 19 1  f 11.76409  0.5642022     146.0794       18.20384  140.2347       19.14916      0.2713216      1.128404  
1 1 1 -23 19 2  o 7.242310  0.5708590     47.60017       11.24499  61.53572       11.62143      -0.9686465     1.141718  
1 1 1 -23 19 3  o 9.555819  0.5630916     85.99284       15.64948  102.6498       14.48989      -0.9131295     1.126183  
1 1 1 -23 19 4  o 6.531222  0.6504770     46.71414       12.50594  44.55735       11.00711      0.1107015      1.300954  
1 1 1 -23 19 5  o 5.833216  0.6872438     36.25151       11.20789  37.45645       10.69258      -0.1286780     1.374488  
1 1 1 -23 19 6  o 2.268176  0.7166646     -10.95248      9.921569  3.122003       10.06191      -0.7352427     1.433329  
1 1 1 -23 19 7  o 6.915736  0.6534157     70.25261       12.20121  34.03780       11.68919      2.673971       1.306831  
1 1 1 -23 19 8  o 2.774297  0.8310264     0.8871188      10.55345  6.455076       12.26980      -0.4882919     1.662053  
1 1 1 -23 19 9  o 4.859967  0.8007501     39.48984       11.09938  14.55693       12.53749      2.329469       1.601500  
1 1 1 -23 19 10 o 2.865107  0.8376610     13.38137       11.46500  -4.241260      12.54839      0.9617067      1.675322  
1 1 1 -23 19 11 o 3.066254  0.8893603     7.539742       11.88936  12.25762       12.87360      -0.3390165     1.778721  
1 1 1 -23 19 12 o 5.378393  0.9271241     32.01421       13.15201  50.75193       15.06494      -1.379928      1.854248  
1 1 1 -23 19 13 o 3.003427  0.9166513     10.93573       13.08355  14.68999       15.47529      -0.2113262     1.833303  
1 1 1 -23 19 14 o 2.600560  0.8873103     12.27362       19.15266  -7.892363      20.83285      0.4206505      1.774621  
1 1 1 -23 21 1  f 6.241585  0.6866400     40.61991       10.91294  45.69286       12.73133      -0.3158839     1.373280  
1 1 1 -23 21 2  o 2.864040  0.8358438     6.564900       10.48708  2.633298       11.64938      0.1606179      1.671688  
1 1 1 -23 21 3  o 4.797102  0.8640851     21.88177       12.04060  31.66818       11.80055      -0.9395716     1.728170  
1 1 1 -23 21 4  o 8.112706  0.6485966     67.87845       15.51219  75.10844       13.82501      -0.5460464     1.297193  
1 1 1 -23 21 5  f 7.318838  0.7067402     65.21111       15.67573  56.33071       13.11640      0.4494030      1.413480  
1 1 1 -23 21 6  o 3.140268  0.8454194     0.4140766      11.23088  17.80654       11.44105      -1.268636      1.690839  
1 1 1 -23 21 7  o 4.244268  0.9278850     23.10972       12.63590  23.38192       11.93716      -0.5241513E-01 1.855770  
1 1 1 -23 21 8  o 3.196456  0.9004666     8.138275       12.27409  14.29369       12.40685      -0.4234503     1.800933  
1 1 1 -23 21 9  o 7.183478  0.7847280     68.30756       14.40279  58.84507       16.69620      0.9579201      1.569456  
1 1 1 -23 21 10 o 3.305519  0.8929557     28.67335       13.47953  -3.533347      14.79327      1.828475       1.785911  
1 1 1 -23 21 11 o 3.108039  0.9380741     16.65805       13.57856  11.92498       16.13584      0.2413196      1.876148  
1 1 1 -23 21 12 o 2.333822  0.7929694     0.5011190      14.05953  -6.887718      16.91907      0.7121979E-01  1.585939  
1 1 1 -23 21 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 23 1  o 5.844517  0.7970500     59.42368       12.38175  22.80968       14.10399      3.159516       1.594100  
1 1 1 -23 23 2  o 3.356730  0.8327181     25.25891       11.44449  -8.106329      13.74403      2.054173       1.665436  
1 1 1 -23 23 3  o 3.098418  0.8845658     20.82190       13.91892  -2.769539      12.73248      1.438684       1.769132  
1 1 1 -23 23 4  o 2.657365  0.8417172     -0.1254769     13.80540  2.679166       12.40351      -0.3041350E-01 1.683434  
1 1 1 -23 23 5  o 5.369659  0.9317101     40.08140       14.45607  39.04467       13.66784      -0.3630305E-03 1.863420  
1 1 1 -23 23 6  o 3.957829  0.9598938     30.33610       13.58325  16.40965       13.24927      1.087387       1.919788  
1 1 1 -23 23 7  o 3.106212  0.8815243     26.94868       14.28402  -3.044256      13.22416      1.692602       1.763049  
1 1 1 -23 23 8  o 2.783031  0.8778512     12.31168       14.25660  3.380243       14.11351      0.4049544      1.755702  
1 1 1 -23 23 9  o 3.343362  0.9721938     30.92186       15.70024  12.17133       15.37008      1.010857       1.944388  
1 1 1 -23 23 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 25 1  o 2.773453  0.8763955     7.343814       12.76915  7.013585       15.62713      -0.7787909E-01 1.752791  
1 1 1 -23 25 2  o 2.380811  0.7820737     11.62627       13.47141  -26.90852      16.35490      0.9829515      1.564147  
1 1 1 -23 25 3  o 3.596340  0.9799154     12.38732       14.78997  34.48243       15.44177      -1.347458      1.959831  
1 1 1 -23 25 4  o 2.470643  0.8436021     2.626262       20.68053  -6.431584      15.20181      0.4399350      1.687204  
1 1 1 -23 25 5  o 4.599153  1.059343      51.99810       16.77446  32.43533       15.92880      1.333474       2.118686  
1 1 1 -23 25 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -23 25 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 0  4  o 14.75361  1.769826      231.0446       50.23540  231.0446       50.23540      ?              ?         
1 1 1 -22 0  5  o 28.89958  1.595220      855.8322       91.55557  855.8322       91.55557      ?              ?         
1 1 1 -22 0  6  o 3.828301  0.5311756     15.50119       3.843670  15.50119       3.843670      ?              ?         
1 1 1 -22 0  7  o 8.488373  0.5182299     72.96239       8.721935  72.96239       8.721935      ?              ?         
1 1 1 -22 0  8  o 4.497586  0.5212869     21.05926       4.525189  21.05926       4.525189      ?              ?         
1 1 1 -22 0  9  o 11.02957  0.6399352     123.1753       14.00673  123.1753       14.00673      ?              ?         
1 1 1 -22 0  10 o 13.97871  0.7848371     198.0739       21.78264  198.0739       21.78264      ?              ?         
1 1 1 -22 0  11 o 29.09083  1.626513      872.5753       93.95166  872.5753       93.95166      ?              ?         
1 1 1 -22 0  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 0  13 o 1.965287  1.110973      5.209723       6.700445  5.209723       6.700445      ?              ?         
1 1 1 -22 0  14 o 17.49810  0.9860970     313.8768       34.25705  313.8768       34.25705      ?              ?         
1 1 1 -22 0  15 o 2.930001  1.345287      12.90664       8.622031  12.90664       8.622031      ?              ?         
1 1 1 -22 0  16 o 4.039414  1.304587      21.37928       9.308861  21.37928       9.308861      ?              ?         
1 1 1 -22 0  17 o 1.648586  1.102037      -2.483925      10.00787  -2.483925      10.00787      ?              ?         
1 1 1 -22 0  18 o 1.877909  1.215123      1.378542       10.73483  1.378542       10.73483      ?              ?         
1 1 1 -22 0  19 o 2.549886  1.463685      11.51626       11.88086  11.51626       11.88086      ?              ?         
1 1 1 -22 0  20 o 4.356708  1.664918      32.22043       13.67799  32.22043       13.67799      ?              ?         
1 1 1 -22 0  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 2  1  o 13.12092  0.5092040     169.1157       18.80740  178.5844       18.83264      -0.3618716     1.018408  
1 1 1 -22 2  2  o 16.02078  0.6535324     256.0023       31.79308  263.9296       27.61613      -0.2834886     1.307065  
1 1 1 -22 2  3  o 9.341444  0.3878356     92.44934       10.20418  83.16229       10.18330      0.4991970      0.7756712 
1 1 1 -22 2  4  o 21.77040  0.9465001     449.6562       49.40004  538.6010       70.11789      -1.825493      1.893000  
1 1 1 -22 2  5  o 19.14750  1.091873      391.3271       58.52411  367.1310       58.69076      0.6384355      2.183746  
1 1 1 -22 2  6  o 2.606156  0.5587012     11.11775       4.831747  -0.9292288     5.845829      1.354758       1.117402  
1 1 1 -22 2  7  o 5.127897  0.4853284     32.91084       6.756701  20.39263       6.735489      1.258391       0.9706569 
1 1 1 -22 2  8  o 8.410110  0.5285964     74.70313       12.35527  68.49535       12.51438      0.3741527      1.057193  
1 1 1 -22 2  9  o 12.00505  0.6952155     157.1183       23.32146  135.6132       23.39771      0.9046969      1.390431  
1 1 1 -22 2  10 o 3.323440  0.6829618     14.21432       6.821339  7.863846       7.158322      0.7556677      1.365924  
1 1 1 -22 2  11 o 10.33244  0.6393537     113.1395       18.34719  104.5610       18.62657      0.4223231      1.278707  
1 1 1 -22 2  12 o 19.91562  1.154286      414.1533       64.33578  427.3982       64.55133      -0.3307952     2.308572  
1 1 1 -22 2  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 2  14 o 2.149732  0.6796824     -5.550005      9.582713  -1.571925      7.586957      0.6152805E-01  1.359365  
1 1 1 -22 2  15 o 7.674433  0.5086166     69.87039       10.85545  51.11269       10.79759      1.239158       1.017233  
1 1 1 -22 2  16 o 6.287058  0.5911795     44.39206       10.12769  39.04179       10.34255      0.4432780      1.182359  
1 1 1 -22 2  17 o 5.257812  0.7338912     19.49601       10.52086  42.26756       10.84728      -2.138291      1.467782  
1 1 1 -22 2  18 o 3.657800  0.8130723     1.928321       10.79752  27.73980       11.15565      -2.179908      1.626145  
1 1 1 -22 2  19 o 2.231988  0.7400445     -9.092623      11.66427  -2.117626      12.04159      -0.2969097     1.480089  
1 1 1 -22 2  20 o 2.836916  0.8658162     15.51149       12.92994  3.334311       13.19931      0.6298448      1.731632  
1 1 1 -22 2  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 4  1  o 22.04480  0.8461369     488.2955       52.54030  505.0888       52.56934      -0.3818166     1.692274  
1 1 1 -22 4  2  o 18.74117  0.7018682     345.9253       37.01347  367.3043       37.10782      -0.5714583     1.403736  
1 1 1 -22 4  3  f 14.02187  0.5405461     187.8394       21.34120  208.9953       21.33799      -0.7574605     1.081092  
1 1 1 -22 4  4  o 10.96992  0.4528288     114.2132       14.09069  127.9983       13.86502      -0.6329410     0.9056576 
1 1 1 -22 4  5  o 29.61429  1.162284      894.9917       96.92284  919.7140       97.00880      -0.4178400     2.324568  
1 1 1 -22 4  6  o 6.381494  0.3274018     42.26360       5.709420  39.61198       6.038640      0.2119876      0.6548036 
1 1 1 -22 4  7  o 10.97512  0.4416407     117.4901       13.63847  125.1045       13.65826      -0.3480678     0.8832815 
1 1 1 -22 4  8  o 24.02214  0.9307422     603.9437       63.01519  576.5263       62.95467      0.5720243      1.861484  
1 1 1 -22 4  9  o 11.41612  0.4639502     136.6549       14.89931  126.0515       14.92075      0.4664494      0.9279003 
1 1 1 -22 4  10 o 7.683061  0.3817604     61.00673       8.254917  58.10644       8.227808      0.1895191      0.7635209 
1 1 1 -22 4  11 o 6.465703  0.4041949     44.50663       7.224648  39.99781       7.394946      0.3543307      0.8083898 
1 1 1 -22 4  12 o 23.18893  0.9228038     568.7285       60.27607  550.0360       60.27187      0.4043438      1.845608  
1 1 1 -22 4  13 o 8.780527  0.4555507     84.38506       11.24200  72.03479       11.18636      0.7078831      0.9111014 
1 1 1 -22 4  14 o 2.580515  0.7874824     0.5829256      9.473391  -1.492749      11.68788      -0.1404074     1.574965  
1 1 1 -22 4  15 o 9.249912  0.7291027     98.31551       17.92497  81.54507       19.53498      0.9776098      1.458205  
1 1 1 -22 4  16 o 2.631503  0.8286685     -7.448191      11.42227  3.600499       14.50919      -0.8402944     1.657337  
1 1 1 -22 4  17 o 6.479552  0.9199501     54.99234       15.35559  43.08387       17.90097      1.097312       1.839900  
1 1 1 -22 4  18 o 3.377834  0.9836336     3.226648       14.31459  21.35416       17.35305      -1.109245      1.967267  
1 1 1 -22 4  19 o 3.883695  1.054234      9.814070       15.61931  41.90845       19.65329      -1.780733      2.108467  
1 1 1 -22 4  20 o 3.338857  0.9544226     41.53012       17.31943  -16.32676      20.98009      2.191882       1.908845  
1 1 1 -22 4  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 6  1  o 35.31715  1.328259      1245.089       132.0097  1363.588       132.2289      -1.681082      2.656519  
1 1 1 -22 6  2  o 17.75675  0.6681585     328.8230       33.41405  310.1012       33.43951      0.5290926      1.336317  
1 1 1 -22 6  3  o 7.941854  0.3510784     58.75407       8.109852  67.65760       7.585005      -0.5682536     0.7021568 
1 1 1 -22 6  4  o 31.91792  1.230200      1064.875       110.6504  1049.945       110.6238      0.2342993      2.460400  
1 1 1 -22 6  5  o 18.39290  0.7154295     343.3050       37.03899  343.1300       37.11187      0.5300071E-02  1.430859  
1 1 1 -22 6  6  o 14.95554  0.5893459     219.9840       24.73653  232.0781       24.91381      -0.4045506     1.178692  
1 1 1 -22 6  7  o 4.903436  0.3546372     24.45085       4.862952  24.27621       4.835633      0.1762740E-01  0.7092745 
1 1 1 -22 6  8  o 23.89597  0.9290965     580.6192       62.55273  589.4696       62.55246      -0.1857651     1.858193  
1 1 1 -22 6  9  o 16.25003  0.6334522     269.6254       28.99495  266.1087       29.00818      0.1086514      1.266904  
1 1 1 -22 6  10 o 4.822168  0.4432811     22.75778       5.870636  24.77473       5.926139      -0.2120767     0.8865622 
1 1 1 -22 6  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 6  12 f 11.57417  0.4928152     143.7719       16.02604  127.8661       16.05886      0.6909263      0.9856304 
1 1 1 -22 6  13 o 6.350553  0.4884363     35.88286       8.492991  46.49924       8.676658      -0.8470777     0.9768725 
1 1 1 -22 6  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 6  15 o 2.854803  0.6694919     18.53709       8.766113  -13.53521      8.935766      2.360716       1.338984  
1 1 1 -22 6  16 o 7.113955  0.5866827     47.21488       11.27286  60.36475       11.78039      -0.9204447     1.173365  
1 1 1 -22 6  17 o 3.323988  0.8595125     12.98198       10.23182  10.75848       10.92869      0.1645639      1.719025  
1 1 1 -22 6  18 f 3.048909  0.8459237     1.045852       11.11289  17.78363       11.83710      -1.188540      1.691847  
1 1 1 -22 6  19 o 3.352679  0.9170533     10.08712       12.29794  22.56010       13.18420      -0.8655466     1.834107  
1 1 1 -22 6  20 o 2.248551  0.7621141     -2.277664      13.59376  -5.764979      14.26694      0.6501815E-01  1.524228  
1 1 1 -22 6  21 o 2.613642  0.8653632     6.302687       15.76374  21.33203       16.65700      -0.4820719     1.730726  
1 1 1 -22 8  1  o 25.37774  0.9268640     647.5298       66.23991  669.1552       66.35454      -0.4262900     1.853728  
1 1 1 -22 8  2  o 3.409107  0.4070966     13.47272       3.668745  10.06682       3.910931      0.5204594      0.8141932 
1 1 1 -22 8  3  o 15.00782  0.5744146     228.7445       24.42551  226.3952       24.16050      0.7680076E-01  1.148829  
1 1 1 -22 8  4  o 19.51520  0.7455712     383.4149       41.02980  389.8964       40.96934      -0.1670045     1.491142  
1 1 1 -22 8  5  o 25.46885  1.040725      637.6626       69.68423  701.3879       80.56895      -1.149386      2.081450  
1 1 1 -22 8  6  o 30.21448  1.181345      920.1862       100.4712  970.2886       100.6049      -0.8305207     2.362689  
1 1 1 -22 8  7  o 9.328612  0.4096887     87.60175       10.62423  87.86192       10.89358      -0.1208734E-01 0.8193773 
1 1 1 -22 8  8  o 9.948689  0.4234864     98.33646       11.80569  101.3370       11.91570      -0.1505542     0.8469728 
1 1 1 -22 8  9  o 14.39738  0.5641448     205.3011       22.83894  214.7653       22.91916      -0.3290906     1.128290  
1 1 1 -22 8  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 8  11 o 26.73285  1.062708      742.2013       79.97248  766.3343       80.07026      -0.4510617     2.125416  
1 1 1 -22 8  12 o 12.31658  0.5224721     165.0919       18.01680  143.4960       18.16916      0.8834691      1.044944  
1 1 1 -22 8  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 8  14 o 3.542832  0.7710173     16.29962       8.543023  10.00220       8.726717      0.6714637      1.542035  
1 1 1 -22 8  15 o 12.69543  0.5749421     176.7713       20.46470  160.9022       20.57832      0.6317880      1.149884  
1 1 1 -22 8  16 o 6.484717  0.6460909     47.90415       11.15784  43.76678       11.89955      0.3679180      1.292182  
1 1 1 -22 8  17 o 7.348011  0.6473341     68.44144       12.74697  51.32709       13.36176      1.240932       1.294668  
1 1 1 -22 8  18 o 5.788562  0.8114307     48.56932       12.56361  35.36539       13.31807      1.237193       1.622861  
1 1 1 -22 8  19 o 4.792692  0.9533383     42.94788       13.53162  29.15608       14.50409      1.310542       1.906677  
1 1 1 -22 8  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 10 1  o 24.03918  0.8516742     552.5687       57.55368  623.6469       57.77774      -1.481928      1.703348  
1 1 1 -22 10 2  o 15.95530  0.6197118     273.0369       29.97527  244.1331       26.02950      0.8805229      1.239424  
1 1 1 -22 10 3  o 16.24393  0.6078056     275.8215       27.96869  257.6576       27.66402      0.5588671      1.215611  
1 1 1 -22 10 4  o 18.04185  0.6921862     342.3933       35.25216  317.5186       35.09584      0.6906385      1.384372  
1 1 1 -22 10 5  o 6.546944  0.3829486     37.32145       7.337442  48.52045       6.663079      -0.8745412     0.7658973 
1 1 1 -22 10 6  o 17.76683  0.7019951     335.4848       35.03466  305.4452       35.19281      0.8502062      1.403990  
1 1 1 -22 10 7  o 18.54064  0.7297318     352.8206       38.05631  347.8393       38.17584      0.1358878      1.459464  
1 1 1 -22 10 8  o 13.45301  0.5356913     182.3836       20.24874  184.3101       20.35351      -0.7092227E-01 1.071383  
1 1 1 -22 10 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 10 10 o 2.057504  0.6200047     -1.063822      6.272858  1.175392       6.472980      -0.2103676     1.240009  
1 1 1 -22 10 11 o 3.718564  0.6801354     17.00736       7.062185  11.74566       7.605806      0.6337585      1.360271  
1 1 1 -22 10 12 o 11.29465  0.5170925     132.9854       16.20991  127.8449       16.65443      0.2357844      1.034185  
1 1 1 -22 10 13 o 3.825927  0.7616001     14.54390       8.362943  17.27695       8.840359      -0.3082086     1.523200  
1 1 1 -22 10 14 o 8.815202  0.5166895     80.73985       12.64755  80.92924       12.88987      -0.4019783E-02 1.033379  
1 1 1 -22 10 15 o 2.249847  0.6870527     -15.91605      9.356510  8.054046       10.07022      -1.327687      1.374105  
1 1 1 -22 10 16 o 3.440241  0.8271438     21.14461       10.31157  3.317895       11.10324      1.466349       1.654288  
1 1 1 -22 10 17 o 7.079185  0.7017173     65.99973       13.18624  50.25672       13.97793      1.223675       1.403435  
1 1 1 -22 10 18 f 3.583477  0.9448008     21.21151       12.31506  17.53263       13.67939      0.3163073      1.889602  
1 1 1 -22 10 19 o 2.117333  0.7180775     7.093661       13.21228  -29.02611      14.87486      0.8241895      1.436155  
1 1 1 -22 12 1  o 19.47046  0.7439372     395.5572       40.75866  375.2250       40.85554      0.5246687      1.487874  
1 1 1 -22 12 2  o 23.62525  0.9121057     588.5022       60.70332  554.8409       60.69529      0.7147774      1.824211  
1 1 1 -22 12 3  o 36.23489  1.395281      1430.083       142.4585  1341.146       142.3550      1.230044       2.790563  
1 1 1 -22 12 4  o 7.785374  0.3955711     68.01427       8.975441  54.53698       8.300788      0.8650227      0.7911422 
1 1 1 -22 12 5  o 18.07182  0.7548110     341.9768       41.43320  326.8835       35.95103      0.3633980      1.509622  
1 1 1 -22 12 6  o 8.760711  0.4386795     85.00468       10.04144  68.79808       11.57631      0.9507994      0.8773591 
1 1 1 -22 12 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 12 8  o 11.94789  0.5044233     146.8161       16.70291  142.6824       17.24464      0.1792904      1.008847  
1 1 1 -22 12 9  o 4.544548  0.7980531     27.01544       10.09344  15.67609       10.98418      1.135520       1.596106  
1 1 1 -22 12 10 o 3.670777  0.6303704     23.31590       7.263244  3.614072       7.416440      2.221440       1.260741  
1 1 1 -22 12 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 12 12 o 14.57041  0.6094631     228.9572       24.84551  211.4503       25.14003      0.6101454      1.218926  
1 1 1 -22 12 13 o 6.484469  0.5947579     52.14647       10.14849  35.52832       10.89868      1.351285       1.189516  
1 1 1 -22 12 14 o 5.147210  0.7265090     39.07377       10.15408  18.92985       10.76977      1.963179       1.453018  
1 1 1 -22 12 15 o 3.514164  0.8696807     15.13990       10.42274  13.07349       10.97283      0.1741676      1.739361  
1 1 1 -22 12 16 o 2.368757  0.7551754     -9.487229      10.79947  5.849111       11.88037      -0.8145006     1.510351  
1 1 1 -22 12 17 o 3.145207  0.8951488     17.51251       11.99845  6.148844       13.54442      0.6891906      1.790298  
1 1 1 -22 12 18 o 3.301616  0.9352484     24.90308       13.21067  11.35082       14.90850      0.8591462      1.870497  
1 1 1 -22 12 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 14 1  o 20.08246  0.7602853     429.9455       42.94891  393.6684       43.05690      0.9077059      1.520571  
1 1 1 -22 14 2  o 12.27451  0.5031133     153.5240       17.37838  151.4141       17.40494      0.8647157E-01  1.006227  
1 1 1 -22 14 3  o 12.17457  0.5027908     171.1562       17.61711  129.4559       16.71588      1.713448       1.005582  
1 1 1 -22 14 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 14 5  o 3.682810  0.7447405     17.23600       8.676035  11.35599       7.756541      0.6902646      1.489481  
1 1 1 -22 14 6  o 20.18662  0.7993706     443.5169       45.42446  396.3326       45.40865      1.173536       1.598741  
1 1 1 -22 14 7  o 5.639084  0.8202088     31.38471       11.56159  37.32846       13.99913      -0.4695639     1.640418  
1 1 1 -22 14 8  o 9.100165  0.4685124     86.15664       11.55964  82.09155       12.43540      0.2370184      0.9370248 
1 1 1 -22 14 9  o 2.622420  0.6658811     12.58059       7.535171  -5.585615      7.653099      1.559405       1.331762  
1 1 1 -22 14 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 14 11 o 6.472782  0.5615169     38.75169       9.681898  48.87151       10.37932      -0.7748553     1.123034  
1 1 1 -22 14 12 o 5.048232  0.7185244     21.43131       9.329403  34.64466       10.49885      -1.265526      1.437049  
1 1 1 -22 14 13 o 12.66306  0.5845916     186.6473       20.57068  153.9618       20.95404      1.315387       1.169183  
1 1 1 -22 14 14 o 3.919739  0.8587816     12.41459       10.22862  24.96692       11.39010      -1.180545      1.717563  
1 1 1 -22 14 15 o 2.609282  0.8079863     5.769798       11.09940  -2.026284      12.03230      0.3401439      1.615973  
1 1 1 -22 14 16 o 5.912444  0.8511186     50.67809       13.33224  41.56506       14.42174      0.9217754      1.702237  
1 1 1 -22 14 17 o 2.310115  0.7762308     -3.358139      12.98369  -3.036714      14.63507      -0.1065566     1.552462  
1 1 1 -22 14 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 16 1  o 2.481968  0.6577674     7.658532       6.431975  0.9088708      6.581267      0.6676222      1.315535  
1 1 1 -22 16 2  o 15.86634  0.6314586     262.6798       28.16651  251.6604       28.27096      0.3497691      1.262917  
1 1 1 -22 16 3  o 6.163911  0.5141926     45.90813       9.495321  32.55769       8.058055      1.072579       1.028385  
1 1 1 -22 16 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 16 5  o 10.38377  0.5110834     124.5351       15.96971  96.37493       13.88043      1.333495       1.022167  
1 1 1 -22 16 6  o 7.124446  0.5005565     66.96210       9.475576  37.40847       9.744274      2.121554       1.001113  
1 1 1 -22 16 7  o 5.361892  1.590818      ?              ?         32.13575       18.28731      ?              ?         
1 1 1 -22 16 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 16 9  o 3.836081  0.7691819     10.45405       8.381140  21.73767       9.548392      -1.228019      1.538364  
1 1 1 -22 16 10 o 4.220143  0.7448680     27.49554       9.304421  10.63565       9.544786      1.753289       1.489736  
1 1 1 -22 16 11 f 3.077117  0.8032143     14.37012       9.589388  1.586671       10.17797      1.008988       1.606429  
1 1 1 -22 16 12 o 3.142279  0.8069608     -0.6178028     9.713847  19.54628       11.17139      -1.676196      1.613922  
1 1 1 -22 16 13 o 5.255658  0.8108361     28.21212       10.95006  38.63819       12.53206      -0.8540130     1.621672  
1 1 1 -22 16 14 o 2.911383  0.8572420     3.403339       10.92895  12.93301       12.96814      -0.6954808     1.714484  
1 1 1 -22 16 15 o 3.544570  0.9511129     16.09289       12.60009  22.03933       13.78870      -0.4008403     1.902226  
1 1 1 -22 16 16 o 2.476449  0.8117106     -6.174138      13.19417  11.91153       14.92207      -0.7408353     1.623421  
1 1 1 -22 16 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 18 1  o 5.091533  0.6090523     36.71756       8.328480  17.26760       8.403383      1.960181       1.218105  
1 1 1 -22 18 2  o 17.75842  0.7331268     346.9219       36.60289  308.6293       36.64926      1.084210       1.466254  
1 1 1 -22 18 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 18 5  o 10.01597  0.5471808     120.2747       16.36679  87.70168       14.33486      1.595043       1.094362  
1 1 1 -22 18 6  o 4.928164  0.6909540     26.80649       9.229969  25.57854       9.354633      0.1300473      1.381908  
1 1 1 -22 18 7  o 5.070238  0.6975344     32.99970       9.662132  21.95142       9.687253      1.104588       1.395069  
1 1 1 -22 18 8  o 10.15311  0.5720806     133.1293       15.45650  83.42374       16.32294      2.507924       1.144161  
1 1 1 -22 18 9  o 2.751982  0.7954901     0.9601516      9.571418  8.156804       10.45480      -0.5930166     1.590980  
1 1 1 -22 18 10 o 5.186772  0.7332909     37.93204       9.962304  21.20349       11.51317      1.677827       1.466582  
1 1 1 -22 18 11 o 2.437915  0.7689949     1.628314       10.24426  -4.580536      11.56646      0.1821756      1.537990  
1 1 1 -22 18 12 o 2.417123  0.7704061     0.9143505      10.28246  -3.856899      12.22064      0.4996993E-01  1.540812  
1 1 1 -22 18 13 o 2.479061  0.7991822     -2.540743      11.43803  2.728477       13.50969      -0.3812847     1.598364  
1 1 1 -22 18 14 o 3.018661  0.9021050     5.055840       12.70226  20.63829       14.74827      -0.8832524     1.804210  
1 1 1 -22 18 15 o 3.708236  1.006192      29.07638       13.90942  26.38811       16.38300      0.3772940      2.012385  
1 1 1 -22 18 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 20 1  o 10.28613  0.5349041     108.8001       14.97420  110.8660       15.98117      -0.7561145E-01 1.069808  
1 1 1 -22 20 2  o 8.348907  0.5472639     67.66131       12.62196  77.50613       12.89050      -0.5881790     1.094528  
1 1 1 -22 20 3  o 7.277246  0.6049066     66.88474       12.62098  45.03380       11.55677      1.495152       1.209813  
1 1 1 -22 20 4  o 6.985013  0.6241972     48.89620       12.87428  54.24254       11.34742      -0.4528227     1.248394  
1 1 1 -22 20 5  o 5.928114  0.7048426     54.72235       11.71844  22.95213       10.68994      2.691919       1.409685  
1 1 1 -22 20 6  o 4.258936  0.7842731     29.07802       10.14884  11.11281       10.19815      1.791759       1.568546  
1 1 1 -22 20 7  o 5.378246  0.7409772     23.03336       11.06539  41.31313       10.89830      -1.718939      1.481954  
1 1 1 -22 20 8  o 3.242844  0.8402785     -0.1893346     10.57432  21.12377       12.03437      -1.677319      1.680557  
1 1 1 -22 20 9  o 3.141414  0.8340883     18.59092       10.86471  -2.154629      12.01776      1.389686       1.668177  
1 1 1 -22 20 10 o 3.029929  0.8682753     12.76674       11.26285  4.120365       12.55699      0.5029373      1.736551  
1 1 1 -22 20 11 f 1.849293  0.6467753     -17.62846      11.82464  -25.13191      13.28317      0.2265321E-01  1.293551  
1 1 1 -22 20 12 o 2.402440  0.7878591     -8.182592      12.13996  7.306107       14.35991      -0.7313870     1.575718  
1 1 1 -22 20 13 o 3.154261  0.9382077     18.45819       13.10596  14.71269       16.03592      0.2468958      1.876415  
1 1 1 -22 20 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 22 1  o 3.810641  0.8500528     20.97715       10.01548  11.20831       11.45401      0.8978286      1.700106  
1 1 1 -22 22 2  o 7.026242  0.6490240     56.31927       11.80855  51.40512       13.50850      0.4572767      1.298048  
1 1 1 -22 22 3  o 4.450362  0.9492143     27.25024       15.12107  22.60613       11.39648      0.3017827      1.898429  
1 1 1 -22 22 4  o 6.838138  0.6954193     61.84500       13.66860  43.38377       12.28361      1.290891       1.390839  
1 1 1 -22 22 5  o 7.517616  0.6792935     79.61720       14.38628  47.66293       13.27156      2.104880       1.358587  
1 1 1 -22 22 6  o 4.046878  0.6946487     42.62988       11.60882  -11.70841      11.34528      4.035744       1.389297  
1 1 1 -22 22 7  o 5.277400  0.8520790     36.48042       12.79426  34.28701       12.10440      0.1351671      1.704158  
1 1 1 -22 22 8  o 7.902965  0.6827356     81.88143       14.85300  65.06799       14.85446      1.088577       1.365471  
1 1 1 -22 22 9  o 3.117443  0.9129347     4.026329       12.82084  21.42846       14.78757      -1.037946      1.825869  
1 1 1 -22 22 10 o 2.729898  0.8645877     0.9093685      13.11770  13.08250       14.90910      -0.6057295     1.729175  
1 1 1 -22 22 11 o 3.007492  0.9255328     17.97294       13.68310  10.08477       16.82317      0.3745587      1.851066  
1 1 1 -22 22 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 24 1  o 2.683398  0.8304989     6.160981       11.11391  -0.5107177     13.38627      0.1881400      1.660998  
1 1 1 -22 24 2  o 2.979181  0.8808400     11.26871       11.83317  4.822040       13.45141      0.3083076      1.761680  
1 1 1 -22 24 3  f 3.091643  0.9165344     9.728060       14.60787  10.44044       12.57026      0.2676088E-01  1.833069  
1 1 1 -22 24 4  o 3.870080  0.9718649     27.68290       13.89389  16.92366       13.31144      0.8067347      1.943730  
1 1 1 -22 24 5  o 5.093390  0.9697629     41.00195       14.90588  36.14637       13.70417      0.2699329      1.939526  
1 1 1 -22 24 6  o 3.038247  0.8901330     22.00081       13.94046  2.238567       12.92085      1.137804       1.780266  
1 1 1 -22 24 7  o 3.268513  0.9208795     27.86967       14.39285  7.399710       12.96193      1.243384       1.841759  
1 1 1 -22 24 8  o 3.558086  0.9290439     37.93639       14.42971  6.910325       14.62166      1.934094       1.858088  
1 1 1 -22 24 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 24 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 26 1  o 4.013971  1.031740      29.08872       14.11554  34.64886       16.34324      -0.1630977     2.063481  
1 1 1 -22 26 2  o 2.219141  0.7590611     -3.929039      13.92047  -9.680099      15.34890      0.7009872E-01  1.518122  
1 1 1 -22 26 3  o 4.618081  1.070336      35.27400       16.58731  51.72916       16.69915      -1.198374      2.140671  
1 1 1 -22 26 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 26 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -22 26 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 1  1  o 1.896699  0.4941165     2.885790       3.479034  2.822636       3.504230      0.5546817E-02  0.9882330 
1 1 1 -21 1  2  o 26.44621  1.460554      849.3693       107.8621  640.5201       107.4868      3.983897       2.921108  
1 1 1 -21 1  3  f 13.35509  0.7351171     187.3211       27.61123  176.9063       27.47059      0.3910300      1.470234  
1 1 1 -21 1  4  o 6.659411  0.4572856     47.71429       8.022582  41.46841       9.046140      0.4893731      0.9145712 
1 1 1 -21 1  5  o 11.64793  0.6567793     133.4510       21.27315  142.6180       21.63001      -0.3927554     1.313559  
1 1 1 -21 1  6  o 29.81358  1.742996      994.1592       145.6616  925.8630       145.5106      1.151858       3.485993  
1 1 1 -21 1  7  o 18.66711  1.033177      387.7492       54.05987  328.5325       53.94337      1.598807       2.066355  
1 1 1 -21 1  8  o 9.306550  0.5486365     95.76514       14.25779  79.19281       14.28587      0.8998542      1.097273  
1 1 1 -21 1  9  o 6.833422  0.4320526     55.83431       9.071867  39.49767       7.472486      1.188323       0.8641053 
1 1 1 -21 1  10 o 30.20939  1.195776      925.4654       101.7162  971.1290       101.7695      -0.7577900     2.391552  
1 1 1 -21 1  11 o 14.87073  0.5901374     233.1876       24.72320  214.6975       24.69428      0.6238814      1.180275  
1 1 1 -21 1  12 o 26.07207  1.032313      713.6951       75.82600  703.1547       75.81382      0.2026148      2.064626  
1 1 1 -21 1  13 o 12.59642  0.5185874     163.3535       18.39763  158.8931       18.39226      0.1776248      1.037175  
1 1 1 -21 1  14 o 7.086264  0.4494547     54.10427       8.874199  48.04600       8.929173      0.4327540      0.8989094 
1 1 1 -21 1  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 1  16 o 4.764355  0.6961241     28.12008       9.108517  20.66272       9.077558      0.7825532      1.392248  
1 1 1 -21 1  17 o 2.508424  0.7386118     -5.086589      9.234563  8.237426       9.456306      -0.9120009     1.477224  
1 1 1 -21 1  18 o 4.362839  0.8238038     25.69011       10.38230  19.54543       10.49437      0.6304274      1.647608  
1 1 1 -21 1  19 o 3.484879  0.8616118     22.18536       11.11715  7.628531       11.15437      1.212036       1.723224  
1 1 1 -21 1  20 o 6.109974  0.8097038     41.87301       13.37167  56.75598       13.57796      -1.210857      1.619408  
1 1 1 -21 1  21 o 2.520459  0.8469296     14.08985       16.97909  -8.757654      16.97907      0.6400405      1.693859  
1 1 1 -21 3  1  o 12.71526  0.4903373     152.2451       17.52038  173.8998       17.57313      -0.8548008     0.9806745 
1 1 1 -21 3  2  o 16.72523  0.6773726     277.6987       34.41193  289.2997       29.87546      -0.3884930     1.354745  
1 1 1 -21 3  3  o 12.54500  0.5272097     163.5177       20.11988  155.7441       17.40666      0.2895606      1.054419  
1 1 1 -21 3  4  o 20.48254  0.7723786     417.8871       44.55688  436.8980       44.59628      -0.4651812     1.544757  
1 1 1 -21 3  5  o 18.27508  0.7140902     328.7089       36.73295  349.6118       36.77829      -0.5735518     1.428180  
1 1 1 -21 3  6  o 22.51947  0.8730116     497.3059       55.31420  537.7221       55.41825      -0.8997616     1.746023  
1 1 1 -21 3  7  o 24.70698  0.9571638     624.2744       66.63896  625.7501       66.62663      -0.3006372E-01 1.914328  
1 1 1 -21 3  8  o 18.69304  0.7262941     363.4399       38.25378  345.4720       38.23455      0.4820894      1.452588  
1 1 1 -21 3  9  o 8.951413  0.4581488     85.20961       9.906948  73.77742       13.99479      0.6842483      0.9162976 
1 1 1 -21 3  10 o 10.35929  0.6106520     108.0427       17.62531  110.1781       17.83476      -0.1017461     1.221304  
1 1 1 -21 3  11 o 4.611556  0.6105489     25.42055       7.534745  18.15412       7.856571      0.8097439      1.221098  
1 1 1 -21 3  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 3  13 o 17.99281  1.050155      334.5904       52.82376  350.6805       53.08787      -0.4451095     2.100310  
1 1 1 -21 3  14 o 3.875258  0.8344033     17.02660       9.367870  14.03412       10.87378      0.2581060      1.668807  
1 1 1 -21 3  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 3  16 o 13.00040  0.8490936     173.5281       30.21692  195.0158       31.47462      -0.7858463     1.698187  
1 1 1 -21 3  17 o 2.801170  0.8699188     -0.4610627     12.01090  1.105492       14.74020      -0.3254183     1.739838  
1 1 1 -21 3  18 o 2.680239  0.8617239     -3.566905      12.92015  -1.247820      15.84302      -0.3392665     1.723448  
1 1 1 -21 3  19 o 4.539039  0.9202910     19.80850       15.20126  33.86911       11.98893      -1.367094      1.840582  
1 1 1 -21 3  20 o 2.391992  0.7800305     4.631859       12.23495  -5.794901      12.73176      0.3863555      1.560061  
1 1 1 -21 3  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 5  1  o 46.44025  1.999297      2284.284       281.4592  2500.121       244.0553      -3.119021      3.998593  
1 1 1 -21 5  2  o 15.13546  0.5700797     229.9592       24.30089  233.5859       24.33156      -0.1199313     1.140159  
1 1 1 -21 5  3  o 7.278015  0.3250806     53.47565       6.949111  53.20580       6.400076      0.1447817E-01  0.6501611 
1 1 1 -21 5  4  o 27.19989  1.055530      754.2809       80.87770  771.6414       80.90109      -0.3198825     2.111061  
1 1 1 -21 5  5  o 16.79368  0.6950735     270.7008       35.36240  298.3992       30.78098      -0.8665730     1.390147  
1 1 1 -21 5  6  o 4.847807  0.3203638     20.35146       4.099260  27.28194       4.557673      -0.7167389     0.6407275 
1 1 1 -21 5  7  o 13.62144  0.5284175     185.1365       20.27665  189.3439       20.28228      -0.1548868     1.056835  
1 1 1 -21 5  8  o 5.595109  0.3276633     33.12596       5.073643  29.89485       5.197159      0.2926139      0.6553265 
1 1 1 -21 5  9  o 3.231924  0.4794711     7.817626       4.248418  13.58085       4.323897      -0.8833050     0.9589423 
1 1 1 -21 5  10 o 22.47488  0.8744254     514.6332       55.35858  520.6921       55.38326      -0.1349596     1.748851  
1 1 1 -21 5  11 o 9.882447  0.4263491     102.5382       11.81346  94.48567       11.89534      0.4099965      0.8526983 
1 1 1 -21 5  12 o 8.594396  0.4167376     74.48739       9.998721  75.00410       10.14068      -0.2875057E-01 0.8334752 
1 1 1 -21 5  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 5  14 o 3.855772  0.6546785     8.655855       7.340014  22.24726       7.463512      -1.600357      1.309357  
1 1 1 -21 5  15 o 4.341693  0.6972781     20.73799       8.120803  20.01295       8.652765      0.9460843E-01  1.394556  
1 1 1 -21 5  16 o 8.920613  0.5147080     76.56080       12.70028  88.80954       13.00477      -0.6837025     1.029416  
1 1 1 -21 5  17 o 8.371991  0.5466703     73.66302       12.65687  75.39306       12.94436      -0.9222803E-01 1.093341  
1 1 1 -21 5  18 o 5.872675  0.7259630     47.54115       11.31077  30.89596       11.96686      1.508015       1.451926  
1 1 1 -21 5  19 o 3.963034  0.9305434     -0.5655372     11.43268  51.72208       18.58076      -3.389778      1.861087  
1 1 1 -21 5  20 o 3.509256  1.054501      19.39561       16.41658  29.85953       20.47477      -0.3784196     2.109003  
1 1 1 -21 5  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 7  1  o 18.75880  0.6998886     353.6965       36.95881  360.7887       37.04487      -0.1889097     1.399777  
1 1 1 -21 7  2  o 7.307458  0.3192573     55.81441       6.504909  51.49494       6.622844      0.2978562      0.6385147 
1 1 1 -21 7  3  o 26.60511  1.003163      753.6903       75.23886  699.5456       75.12448      1.019986       2.006327  
1 1 1 -21 7  4  o 5.248482  0.3222832     29.82811       4.955033  25.93673       4.527785      0.3686440      0.6445665 
1 1 1 -21 7  5  o 15.22183  0.5811856     214.1757       24.75804  253.6309       25.00761      -1.300151      1.162371  
1 1 1 -21 7  6  o 11.61989  0.4658893     135.0486       15.14439  137.1865       15.35541      -0.9098671E-01 0.9317786 
1 1 1 -21 7  7  o 16.76539  0.6430141     284.8564       30.37634  284.2220       30.37836      0.1899124E-01  1.286028  
1 1 1 -21 7  8  o 27.90993  1.078356      774.4993       84.74929  831.1916       84.78596      -1.018902      2.156711  
1 1 1 -21 7  9  o 21.35632  0.8212531     460.5271       49.40589  471.2473       49.43073      -0.2515250     1.642506  
1 1 1 -21 7  10 o 5.502767  0.3939584     25.98287       5.922011  35.27082       6.087922      -0.8552513     0.7879169 
1 1 1 -21 7  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 7  12 o 4.961833  0.4946152     28.01741       6.679266  22.29092       6.763991      0.5948878      0.9892304 
1 1 1 -21 7  13 o 8.192096  0.4453524     65.01370       10.16788  71.45620       10.29681      -0.3940845     0.8907048 
1 1 1 -21 7  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 7  15 o 2.009165  0.6509928     -8.339298      8.157192  -2.045809      8.839557      -0.4204276     1.301986  
1 1 1 -21 7  16 o 5.185043  0.6980642     24.46175       9.479214  34.55430       10.21430      -0.9531627     1.396128  
1 1 1 -21 7  17 o 5.395299  0.7395028     26.33723       10.42546  39.93468       11.31284      -1.218719      1.479006  
1 1 1 -21 7  18 o 2.504101  0.7279871     -18.35571      10.60306  15.59640       11.21682      -1.791492      1.455974  
1 1 1 -21 7  19 o 3.639473  0.9092990     24.56792       11.84343  13.29077       12.46707      0.9247129      1.818598  
1 1 1 -21 7  20 o 3.429872  0.9561689     20.75919       13.17855  22.46705       14.16640      -0.6086116E-01 1.912338  
1 1 1 -21 7  21 o 2.531555  0.8784223     -0.8392706     18.67185  25.19747       24.52038      -0.5214915     1.756845  
1 1 1 -21 9  1  o 4.667842  0.3337027     26.49914       4.116924  17.28338       4.420003      1.013129       0.6674053 
1 1 1 -21 9  2  o 21.67854  0.8255283     481.2755       50.41433  475.9622       50.44739      0.1231724      1.651057  
1 1 1 -21 9  3  o 12.20892  0.4741591     156.7476       16.49140  143.7059       16.11585      0.5336564      0.9483182 
1 1 1 -21 9  4  o 16.04206  0.6001965     263.3009       27.18732  256.9386       27.08239      0.1982019      1.200393  
1 1 1 -21 9  5  o 13.33961  0.5510026     182.6809       19.33341  175.7959       22.39387      0.2799576      1.102005  
1 1 1 -21 9  6  o 23.98187  0.9327050     573.9342       62.94896  602.7491       63.06871      -0.6017106     1.865410  
1 1 1 -21 9  7  o 14.62553  0.5775979     213.8420       23.72151  218.8865       23.87407      -0.1719251     1.155196  
1 1 1 -21 9  8  o 11.40534  0.4665520     134.4879       14.94912  128.0048       15.01723      0.2857782      0.9331040 
1 1 1 -21 9  9  o 18.79454  0.7245182     372.5259       38.37750  347.6293       38.32994      0.6642140      1.449036  
1 1 1 -21 9  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 9  11 o 11.95133  0.4939882     148.5651       16.53917  141.0796       16.70555      0.3161611      0.9879763 
1 1 1 -21 9  12 o 11.57881  0.4956630     140.7800       16.08152  131.8186       16.22109      0.3904466      0.9913260 
1 1 1 -21 9  13 o 6.141343  1.660083      42.93610       20.87309  ?              ?             ?              ?         
1 1 1 -21 9  14 o 10.51971  0.5015461     123.7442       14.74322  103.3098       14.85912      0.9806407      1.003092  
1 1 1 -21 9  15 o 6.059222  0.6095913     42.58769       9.893859  35.00101       10.36404      0.6634464      1.219183  
1 1 1 -21 9  16 o 7.085195  0.5970346     56.58394       11.31051  51.13725       12.15905      0.4338033      1.194069  
1 1 1 -21 9  17 o 8.860876  0.5959895     104.2345       14.21299  67.84778       14.67833      2.119531       1.191979  
1 1 1 -21 9  18 o 2.688493  0.7931718     -7.081398      11.01558  16.04854       11.99089      -1.369352      1.586344  
1 1 1 -21 9  19 o 2.386224  0.7833245     -0.2973595     12.15058  -0.4658351     13.24188      -0.6064171E-01 1.566649  
1 1 1 -21 9  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 11 1  o 3.103863  0.4659481     7.950573       3.742490  12.12376       4.200322      -0.6613948     0.9318962 
1 1 1 -21 11 2  o 15.82150  0.6102703     262.4550       27.21869  243.5130       27.16918      0.6004395      1.220541  
1 1 1 -21 11 3  o 23.02948  0.8824405     553.4374       57.31664  529.1277       57.19205      0.5284405      1.764881  
1 1 1 -21 11 4  o 6.670198  0.3570636     46.12335       6.960709  43.77184       6.438747      0.1725646      0.7141272 
1 1 1 -21 11 5  o 9.309507  0.3993397     83.51631       10.35062  91.09579       10.57053      -0.4072627     0.7986794 
1 1 1 -21 11 6  o 18.03626  0.7048146     328.6901       35.70681  332.7961       35.92459      -0.1123423     1.409629  
1 1 1 -21 11 7  o 9.499741  0.4156696     90.27037       10.91893  91.91031       11.31930      -0.8350276E-01 0.8313392 
1 1 1 -21 11 8  o 13.24945  0.5313094     185.3118       19.78976  169.9678       19.84611      0.5819105      1.062619  
1 1 1 -21 11 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 11 10 o 3.787281  0.6101136     16.92447       6.316892  13.02969       6.534744      0.5017878      1.220227  
1 1 1 -21 11 11 o 10.19211  0.4692836     116.8925       13.26589  93.74763       13.54766      1.147633       0.9385672 
1 1 1 -21 11 12 o 17.51665  2.444024      375.7483       83.29424  ?              ?             ?              ?         
1 1 1 -21 11 13 o 3.435170  0.7557499     14.22635       7.939402  10.30970       8.507071      0.4129300      1.511500  
1 1 1 -21 11 14 o 2.236377  0.6900373     3.987275       8.536304  -8.293765      8.978886      0.6719871      1.380075  
1 1 1 -21 11 15 o 5.817825  0.6587159     31.86336       10.17754  41.94612       10.67639      -0.8635530     1.317432  
1 1 1 -21 11 16 f 4.894254  0.8065265     21.60554       10.59317  35.38581       11.54284      -1.286551      1.613053  
1 1 1 -21 11 17 o 5.166843  0.8370377     33.78500       11.36432  34.18331       12.73230      0.9868813E-01  1.674075  
1 1 1 -21 11 18 o 3.221245  0.9004831     8.834968       11.82446  21.05363       13.14012      -0.8306280     1.800966  
1 1 1 -21 11 19 o 4.044335  1.008734      30.73992       13.68114  32.82529       15.15977      0.2009137E-01  2.017468  
1 1 1 -21 13 1  o 12.80344  0.5028145     155.3601       18.01052  175.3734       18.22766      -0.7832702     1.005629  
1 1 1 -21 13 2  o 4.440429  0.4166267     19.02284       5.168124  21.13590       5.029583      -0.2458679     0.8332534 
1 1 1 -21 13 3  o 26.81895  1.019587      734.5651       77.07951  749.9922       77.02743      -0.2890659     2.039175  
1 1 1 -21 13 4  o 15.13655  0.5942453     244.1383       25.43457  219.8807       25.20815      0.8026263      1.188491  
1 1 1 -21 13 5  o 23.30193  0.8924937     577.5422       58.58374  538.5661       58.57386      0.8391696      1.784987  
1 1 1 -21 13 6  o 13.81757  0.5904762     197.4805       21.47174  189.2073       24.82015      0.3337694      1.180952  
1 1 1 -21 13 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 13 8  o 7.385869  0.4225433     48.70238       8.375074  62.11322       9.087879      -0.9064021     0.8450866 
1 1 1 -21 13 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 13 10 o 9.322524  0.4556201     93.37891       11.80671  83.05200       12.05225      0.5610608      0.9112401 
1 1 1 -21 13 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 13 12 o 5.926171  0.5746084     41.20830       8.874574  31.17265       9.844471      0.9067715      1.149217  
1 1 1 -21 13 13 o 7.230753  0.5425185     57.92183       10.57808  51.11027       11.26876      0.5019137      1.085037  
1 1 1 -21 13 14 o 2.454094  0.7251813     9.435924       9.459772  -11.03425      10.02156      1.155207       1.450363  
1 1 1 -21 13 15 o 2.536291  0.7769655     0.6349355E-01  9.910131  3.267523       10.72345      -0.2683181     1.553931  
1 1 1 -21 13 16 o 3.899666  0.8724735     9.851012       10.91903  30.05593       12.26239      -1.744332      1.744947  
1 1 1 -21 13 17 o 4.139802  0.9495060     23.97292       11.87861  28.19343       13.67270      -0.2250700     1.899012  
1 1 1 -21 13 18 o 2.793223  0.8728614     8.683848       12.67231  11.97272       14.52719      -0.1853241     1.745723  
1 1 1 -21 13 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 15 1  o 19.22813  0.7504904     353.5214       40.54898  401.8248       40.67231      -1.260181      1.500981  
1 1 1 -21 15 2  o 5.516720  0.4115139     36.62655       6.074518  24.73415       6.397460      1.107180       0.8230278 
1 1 1 -21 15 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 15 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 15 5  o 18.98559  0.7477775     383.9932       39.98757  355.9490       39.96754      0.7411025      1.495555  
1 1 1 -21 15 6  o 5.812509  0.4658572     39.31905       7.248026  28.97611       7.689448      0.9195271      0.9317145 
1 1 1 -21 15 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 15 8  o 8.701690  0.4658497     79.52640       10.99839  74.33675       11.79415      0.3122828      0.9316994 
1 1 1 -21 15 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 15 10 o 8.296885  0.4868577     79.45076       11.10213  61.29734       11.42384      1.114192       0.9737154 
1 1 1 -21 15 11 o 9.156683  0.4963166     86.85729       12.44151  86.42083       13.09544      0.3985487E-01  0.9926331 
1 1 1 -21 15 12 o 9.167237  0.5342121     99.66321       13.16660  75.28445       14.10227      1.378758       1.068424  
1 1 1 -21 15 13 o 12.08858  0.5754592     161.7729       19.35675  149.7708       19.74962      0.5158875      1.150918  
1 1 1 -21 15 14 o 5.315638  0.7739283     26.70438       10.83850  39.60439       11.69065      -1.150980      1.547857  
1 1 1 -21 15 15 o 5.755509  0.7887980     45.88314       12.03012  34.48748       12.94494      1.097519       1.577596  
1 1 1 -21 15 16 o 5.001300  0.9228657     34.52718       12.51393  38.06165       13.97523      -0.1306150     1.845731  
1 1 1 -21 15 17 o 5.292420  0.8840422     62.43237       14.05344  25.87744       15.75081      3.146339       1.768084  
1 1 1 -21 15 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 17 1  f 22.39482  0.8909821     520.5204       56.16582  525.3186       56.25128      -0.1060159     1.781964  
1 1 1 -21 17 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 17 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 17 4  o 7.579247  0.4653150     64.40197       10.27173  52.90388       9.460400      0.7525001      0.9306301 
1 1 1 -21 17 5  o 10.69066  0.4915129     135.3948       14.67054  97.60498       14.64334      1.780683       0.9830258 
1 1 1 -21 17 6  o 11.16518  0.5049046     135.9493       15.74936  118.1485       15.92998      0.8048148      1.009809  
1 1 1 -21 17 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 17 8  o 3.402158  0.7739390     13.48381       7.995216  10.01611       9.223946      0.3151256      1.547878  
1 1 1 -21 17 9  o 3.662116  0.7908784     12.52529       8.518829  16.79181       9.457681      -0.4723110     1.581757  
1 1 1 -21 17 10 o 4.148008  0.7778475     16.65699       8.784716  22.23254       9.839200      -0.5823479     1.555695  
1 1 1 -21 17 11 o 5.733551  0.6596351     33.28400       9.719804  39.23074       11.00479      -0.4597379     1.319270  
1 1 1 -21 17 12 o 7.951834  0.5759464     65.31820       12.23932  71.97019       13.35258      -0.3642150     1.151893  
1 1 1 -21 17 13 o 3.396796  0.8723359     9.149385       10.33909  18.76656       11.78206      -0.8275983     1.744672  
1 1 1 -21 17 14 o 4.589394  0.7765481     45.53115       11.52964  5.822459       13.14015      3.336615       1.553096  
1 1 1 -21 17 15 o 2.705588  0.8254116     15.71043       12.13154  -6.697375      13.58311      1.020067       1.650823  
1 1 1 -21 17 16 o 2.375146  0.7934648     -1.255601      13.00568  1.981101       15.06923      -0.2009455     1.586930  
1 1 1 -21 17 17 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  o 13.23158  0.5987322     193.6200       22.75468  169.0927       21.78690      0.9105580      1.197464  
1 1 1 -21 19 5  o 7.180066  0.5254205     61.63273       10.27438  44.46592       10.56121      1.226655       1.050841  
1 1 1 -21 19 6  o 3.733532  0.7461686     6.781366       8.827093  22.33425       8.922442      -1.629085      1.492337  
1 1 1 -21 19 7  o 11.25982  0.5478199     153.4061       17.25437  111.0443       17.13591      1.893717       1.095640  
1 1 1 -21 19 8  o 5.842956  0.6669188     35.63593       10.00737  39.13129       11.41361      -0.2356317     1.333838  
1 1 1 -21 19 9  o 9.098433  0.5634037     105.6301       13.86597  70.10828       14.33680      2.001881       1.126807  
1 1 1 -21 19 10 o 3.366803  0.8052627     2.688551       9.203361  22.70562       11.07665      -1.817377      1.610525  
1 1 1 -21 19 11 o 4.275353  0.8125076     31.61845       10.50648  10.98573       11.82476      1.945848       1.625015  
1 1 1 -21 19 12 o 5.633678  0.7747012     21.86040       11.01984  58.26804       13.16122      -2.988728      1.549402  
1 1 1 -21 19 13 o 2.626475  0.8237798     6.539270       11.45691  0.1910376      13.30979      0.2017117      1.647560  
1 1 1 -21 19 14 o 2.307950  0.7658531     -12.41877      12.28990  9.727421       14.86514      -0.9075406     1.531706  
1 1 1 -21 19 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 21 1  o 3.713951  0.7631533     22.61725       8.816742  2.771646       11.05896      1.749241       1.526307  
1 1 1 -21 21 2  o 4.092631  0.7997782     18.73017       9.389078  18.92508       9.753450      -0.1590700E-01 1.599556  
1 1 1 -21 21 3  o 8.692858  0.5682262     71.91309       14.40827  86.03044       13.20350      -0.8670049     1.136452  
1 1 1 -21 21 4  o 7.200450  0.6131532     47.23337       12.88043  61.98555       11.49536      -1.114699      1.226306  
1 1 1 -21 21 5  o 2.587382  0.7070506     -14.85829      9.284118  15.31285       10.15550      -1.961829      1.414101  
1 1 1 -21 21 6  o 7.115004  0.5955386     49.99337       11.76664  58.79498       11.67186      -0.6351927     1.191077  
1 1 1 -21 21 7  o 3.401904  0.8588539     11.03624       10.60267  14.47404       10.37982      -0.2961662     1.717708  
1 1 1 -21 21 8  o 2.878609  0.8218319     8.880100       10.06165  4.492991       10.79731      0.2649740      1.643664  
1 1 1 -21 21 9  f 4.068784  0.8929848     25.88414       11.21963  15.85783       12.36280      0.9405016      1.785970  
1 1 1 -21 21 10 o 2.568291  0.7991527     -5.130582      10.98026  10.48982       12.88292      -0.9286098     1.598305  
1 1 1 -21 21 11 o 2.325881  0.7651633     0.2553951E-01  11.47325  -6.729487      13.22053      0.1242393      1.530327  
1 1 1 -21 21 12 o 2.816752  0.8701358     4.112678       12.20388  16.22814       14.58550      -0.6645033     1.740272  
1 1 1 -21 21 13 o 2.791109  0.8560762     -6.806719      13.50530  31.54570       16.25505      -1.656371      1.712152  
1 1 1 -21 21 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 23 1  o 3.924155  0.8646445     18.44706       9.843343  18.73640       11.64788      0.1089551E-02  1.729289  
1 1 1 -21 23 2  o 7.565471  0.6433122     73.70942       12.66378  51.43993       13.93691      1.598426       1.286624  
1 1 1 -21 23 3  o 4.014823  0.9144761     27.88899       13.12729  13.19170       11.21765      1.264791       1.828952  
1 1 1 -21 23 4  o 8.721008  0.6186073     86.06005       15.54396  83.38866       14.60522      0.9243421E-01  1.237215  
1 1 1 -21 23 5  o 4.845339  0.9217098     30.64187       13.56465  30.54615       12.36236      -0.8123003E-01 1.843420  
1 1 1 -21 23 6  o 4.445021  0.8918000     23.29598       12.05274  28.60486       11.60178      -0.5351732     1.783600  
1 1 1 -21 23 7  o 4.955674  0.8303539     47.49596       12.72197  17.08180       11.98647      2.657675       1.660708  
1 1 1 -21 23 8  o 3.468606  0.8623751     28.54770       12.14809  2.412186       12.42239      1.885388       1.724750  
1 1 1 -21 23 9  o 2.143737  0.7350322     -12.35162      13.03923  -8.707750      14.67249      -0.2178865     1.470064  
1 1 1 -21 23 10 o 2.341399  0.7869488     1.305607       13.18595  -8.039706      15.69326      0.1487171      1.573898  
1 1 1 -21 23 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 23 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 25 1  o 3.107739  0.8626173     22.07269       12.22956  -2.130725      13.27986      1.438994       1.725235  
1 1 1 -21 25 2  o 3.816468  0.9420708     19.16468       12.06654  24.33538       13.02892      -0.3811784     1.884142  
1 1 1 -21 25 3  o 3.189386  0.9405676     12.52991       14.66933  14.23923       13.62887      -0.8566085E-01 1.881135  
1 1 1 -21 25 4  o 3.138035  0.8991327     6.251341       13.64056  19.42391       12.46767      -0.7960898     1.798265  
1 1 1 -21 25 5  f 4.901763  0.9893720     44.66738       15.47761  33.58649       13.47067      0.6601097      1.978744  
1 1 1 -21 25 6  o 2.870393  0.8901699     13.14190       14.38374  8.639596       13.37374      0.2352179      1.780340  
1 1 1 -21 25 7  o 2.199352  0.7504190     -6.354232      13.97416  -5.294008      14.04810      -0.3345935E-01 1.500838  
1 1 1 -21 25 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 25 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 27 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 27 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 27 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -21 27 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 0  4  o 2.066801  1.047154      6.320050       5.390262  6.320050       5.390262      ?              ?         
1 1 1 -20 0  5  o 4.398955  0.4324661     19.93039       3.714424  19.93039       3.714424      ?              ?         
1 1 1 -20 0  6  o 2.165497  0.7404797     6.096719       2.879176  6.096719       2.879176      ?              ?         
1 1 1 -20 0  7  o 0.8183545 0.5619850     -2.096195      2.979929  -2.096195      2.979929      ?              ?         
1 1 1 -20 0  8  o 21.71840  1.195535      479.8019       51.56797  479.8019       51.56797      ?              ?         
1 1 1 -20 0  9  o 6.899575  0.4721637     48.32819       6.444239  48.32819       6.444239      ?              ?         
1 1 1 -20 0  10 o 36.54000  2.042673      1380.498       148.2038  1380.498       148.2038      ?              ?         
1 1 1 -20 0  11 o 20.79513  1.151295      440.2893       47.54469  440.2893       47.54469      ?              ?         
1 1 1 -20 0  12 o 8.596030  0.5658645     75.04168       9.630275  75.04168       9.630275      ?              ?         
1 1 1 -20 0  13 o 13.70079  0.7868125     190.7482       21.39586  190.7482       21.39586      ?              ?         
1 1 1 -20 0  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 0  15 o 13.73382  0.8060191     192.6518       21.96331  192.6518       21.96331      ?              ?         
1 1 1 -20 0  16 o 5.693422  0.8410608     34.95165       8.964348  34.95165       8.964348      ?              ?         
1 1 1 -20 0  17 o 7.515024  0.7482893     59.19608       10.97190  59.19608       10.97190      ?              ?         
1 1 1 -20 0  18 o 3.292417  1.421496      16.65679       9.629720  16.65679       9.629720      ?              ?         
1 1 1 -20 0  19 f 3.348524  1.506476      18.41822       10.79707  18.41822       10.79707      ?              ?         
1 1 1 -20 0  20 o 3.555059  1.577372      22.10661       11.83635  22.10661       11.83635      ?              ?         
1 1 1 -20 0  21 f 6.150489  1.377818      51.92019       14.79814  51.92019       14.79814      ?              ?         
1 1 1 -20 2  1  o 7.706475  0.3078774     57.23590       6.659676  62.15894       6.700387      -0.3203602     0.6157548 
1 1 1 -20 2  2  o 2.604419  0.3670339     9.048159       2.646844  4.780730       2.625026      0.8204082      0.7340677 
1 1 1 -20 2  3  o 13.31133  0.5104815     190.4203       19.18677  167.2851       19.06516      0.8717107      1.020963  
1 1 1 -20 2  4  o 1.987059  0.4789574     4.490196       2.741080  0.5295006      4.693161      0.2713658      0.9579149 
1 1 1 -20 2  5  o 10.34212  0.6234962     128.4476       17.76374  88.75538       17.95409      1.947116       1.246992  
1 1 1 -20 2  6  o 29.55862  1.721488      1002.878       142.5646  886.1315       142.3244      1.988164       3.442975  
1 1 1 -20 2  7  o 18.83744  1.049498      376.8783       55.45282  355.5048       55.44083      0.5711052      2.098996  
1 1 1 -20 2  8  o 29.85653  1.735110      969.4031       145.2108  945.9943       145.2328      0.3951661      3.470220  
1 1 1 -20 2  9  o 20.50405  1.148822      444.5001       66.02853  425.9299       66.10706      0.4568025      2.297644  
1 1 1 -20 2  10 o 35.21933  2.127407      1394.202       209.8276  1371.673       209.9462      0.3246212      4.254814  
1 1 1 -20 2  11 o 14.72316  0.8370718     233.6809       34.51070  210.2550       34.55095      0.8024116      1.674144  
1 1 1 -20 2  12 o 20.79869  1.194979      463.7803       69.65078  448.3124       69.71544      0.3755404      2.389957  
1 1 1 -20 2  13 o 22.83065  1.337702      536.0934       85.39899  589.3710       85.65927      -1.170797      2.675404  
1 1 1 -20 2  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 2  15 o 2.707944  0.7114667     3.967846       7.360096  7.877493       7.334610      -0.3864218     1.422933  
1 1 1 -20 2  16 o 5.027434  0.6297042     19.80057       8.506196  33.34729       8.693405      -1.375297      1.259408  
1 1 1 -20 2  17 o 9.065745  0.5116042     81.31670       12.87852  90.08260       13.11863      -0.4796903     1.023208  
1 1 1 -20 2  18 o 4.565047  0.7704058     25.88623       9.789766  22.36459       9.860767      0.3721211      1.540812  
1 1 1 -20 2  19 o 3.260692  0.8062411     22.15908       10.61014  -0.2988146E-01 10.63103      1.748783       1.612482  
1 1 1 -20 2  20 o 2.958633  0.7970765     22.99981       11.47129  -7.335153      11.64616      1.870946       1.594153  
1 1 1 -20 2  21 o 3.573122  0.9601797     17.63168       13.64523  30.47749       13.95371      -0.8667864     1.920359  
1 1 1 -20 4  1  o 14.48942  0.5581803     207.0812       22.77002  217.7180       22.79797      -0.3680526     1.116361  
1 1 1 -20 4  2  o 10.33462  0.4380067     108.0862       13.71119  107.5653       11.95704      0.1197119E-01  0.8760133 
1 1 1 -20 4  3  o 5.407366  0.2851842     30.74203       4.607892  28.38840       4.091653      0.2133974      0.5703683 
1 1 1 -20 4  4  o 4.621747  0.2934055     21.38019       3.705994  21.80507       3.889855      -0.4394516E-01 0.5868111 
1 1 1 -20 4  5  o 6.347701  0.3017561     42.11493       5.292017  38.85280       5.479898      0.2600674      0.6035121 
1 1 1 -20 4  6  o 26.70185  0.9723259     736.1151       73.18068  727.2906       73.19074      0.1657863      1.944652  
1 1 1 -20 4  7  o 23.05629  0.8913979     536.8782       57.90311  549.0864       57.91016      -0.2655080     1.782796  
1 1 1 -20 4  8  o 5.442163  0.3104918     29.98629       4.674259  29.75257       4.805909      0.2295540E-01  0.6209837 
1 1 1 -20 4  9  o 9.549885  0.3980022     92.80838       10.68991  90.86061       10.71481      0.1025056      0.7960045 
1 1 1 -20 4  10 o 20.65364  0.8028585     416.5069       46.65736  452.2757       46.73341      -0.8685243     1.605717  
1 1 1 -20 4  11 o 11.11075  0.4542958     131.0640       14.21148  117.8450       14.19662      0.5974062      0.9085915 
1 1 1 -20 4  12 o 5.927314  0.3929192     41.87257       6.460021  29.15524       6.425819      1.089110       0.7858383 
1 1 1 -20 4  13 o 14.71771  0.5880258     226.9398       24.36820  214.1125       24.37473      0.4374470      1.176052  
1 1 1 -20 4  14 o 13.86971  0.6742513     191.7019       22.67213  210.3193       32.30677      -0.5081361     1.348503  
1 1 1 -20 4  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 4  16 o 3.369890  0.8584954     17.06165       10.47479  -0.7242989     12.83480      1.163968       1.716991  
1 1 1 -20 4  17 o 3.919055  0.9370714     10.08973       11.67871  25.15209       13.91505      -1.295153      1.874143  
1 1 1 -20 4  18 o 5.350726  0.9766474     34.54643       13.84609  37.81282       16.17794      -0.1308993     1.953295  
1 1 1 -20 4  19 o 8.021147  0.9043840     62.01740       18.16106  102.5312       21.11802      -2.259274      1.808768  
1 1 1 -20 4  20 o 2.702814  0.8826038     11.03454       15.21099  -13.30119      18.54904      0.6304640      1.765208  
1 1 1 -20 4  21 o 2.778120  0.9222987     20.85409       17.87340  -5.694127      21.46347      0.6742816      1.844597  
1 1 1 -20 6  1  o 32.57381  1.229325      1045.424       112.6377  1171.326       112.8483      -1.937486      2.458651  
1 1 1 -20 6  2  o 9.618114  0.3874876     96.59942       10.46438  89.61054       10.52178      0.3651712      0.7749751 
1 1 1 -20 6  3  o 5.974889  0.2939098     38.19760       5.237257  33.95478       4.665907      0.3513428      0.5878196 
1 1 1 -20 6  4  o 15.49700  0.6002861     241.0246       26.23321  245.2289       26.18789      -0.1364054     1.200572  
1 1 1 -20 6  5  o 11.77207  0.4643241     128.8960       15.25009  150.3419       15.50149      -0.9132742     0.9286482 
1 1 1 -20 6  6  o 4.090690  0.3250245     16.66202       3.556061  17.35388       3.851964      -0.8052875E-01 0.6500490 
1 1 1 -20 6  7  o 8.475103  0.3573791     77.24072       8.525908  67.09924       8.506726      0.6012518      0.7147582 
1 1 1 -20 6  8  o 4.837265  0.3331142     26.39008       4.419321  20.64239       4.539336      0.6052367      0.6662285 
1 1 1 -20 6  9  o 1.896339  0.4938055     -1.394824      3.873757  5.612580       3.949785      -0.8953159     0.9876111 
1 1 1 -20 6  10 o 15.05201  0.5882799     224.5732       24.90434  234.1467       24.98319      -0.3184609     1.176560  
1 1 1 -20 6  11 o 9.984134  0.4245915     109.4380       11.90606  91.45216       11.91114      0.9059122      0.8491831 
1 1 1 -20 6  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 6  13 o 5.576108  0.4766071     36.52808       7.211825  26.58382       7.393493      0.9181457      0.9532143 
1 1 1 -20 6  14 o 5.809936  0.4926316     37.09306       7.738530  31.93607       8.105764      0.4612273      0.9852631 
1 1 1 -20 6  15 o 8.793982  0.4811187     80.11964       11.76717  78.50285       11.98229      0.9667471E-01  0.9622374 
1 1 1 -20 6  16 o 7.176216  0.5230255     57.51953       10.28196  49.38075       10.60666      0.5857590      1.046051  
1 1 1 -20 6  17 o 3.552833  0.7970330     18.45295       9.101565  8.758632       9.657144      0.9537007      1.594066  
1 1 1 -20 6  18 o 6.363816  0.6543227     47.76615       11.18080  42.82849       11.66956      0.4326181      1.308645  
1 1 1 -20 6  19 f 4.962586  0.8371692     35.43771       11.40568  27.78642       12.03079      0.7942507      1.674338  
1 1 1 -20 6  20 o 2.020586  0.6915480     -9.768330      11.81817  -10.34610      12.44511      -0.3556680E-01 1.383096  
1 1 1 -20 6  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 8  1  o 20.34330  0.7635114     412.8697       43.73415  429.3888       43.80282      -0.4066744     1.527023  
1 1 1 -20 8  2  o 25.07647  0.9526067     637.6900       67.29095  652.3442       67.33703      -0.2926238     1.905213  
1 1 1 -20 8  3  o 22.06360  0.8279188     516.7226       51.51580  475.1814       51.39129      0.9436704      1.655838  
1 1 1 -20 8  4  o 6.302411  0.3124963     41.28627       5.690171  38.80016       5.388209      0.1956529      0.6249926 
1 1 1 -20 8  5  o 25.41921  0.9807341     646.6782       70.16391  677.4238       70.29626      -0.6055521     1.961468  
1 1 1 -20 8  6  o 12.13832  0.4828397     147.2886       16.43928  149.8585       16.58104      -0.1053259     0.9656793 
1 1 1 -20 8  7  o 17.13224  0.6603132     290.1072       31.85381  304.2209       31.88527      -0.4130432     1.320626  
1 1 1 -20 8  8  o 10.01359  0.4127643     100.5667       11.67153  101.4770       11.60834      -0.4602402E-01 0.8255286 
1 1 1 -20 8  9  o 4.424085  0.3973916     15.54566       4.738654  24.11440       4.837816      -0.9934483     0.7947833 
1 1 1 -20 8  10 f 14.70809  0.5803435     227.0589       24.01999  211.2220       24.05353      0.5406893      1.160687  
1 1 1 -20 8  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 8  12 o 15.09083  0.5978382     241.9866       25.40892  222.0329       25.39293      0.6635442      1.195676  
1 1 1 -20 8  13 o 10.62158  0.4700832     114.6342       14.01794  114.8081       14.08543      -0.7355350E-02 0.9401664 
1 1 1 -20 8  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 8  15 o 7.958236  0.4908404     72.17744       10.73705  57.85561       11.05883      0.9192107      0.9816809 
1 1 1 -20 8  16 o 7.428645  0.5320024     59.31517       10.70645  56.55043       11.36266      0.2118080      1.064005  
1 1 1 -20 8  17 o 2.817642  0.7922866     1.710115       9.390608  10.87647       10.12928      -0.7519696     1.584573  
1 1 1 -20 8  18 o 3.513533  0.8276234     22.95101       10.32023  4.872157       11.19435      1.521825       1.655247  
1 1 1 -20 8  19 o 2.599359  0.8108477     0.8559304      11.19964  7.348550       12.29053      -0.4029365     1.621695  
1 1 1 -20 8  20 o 3.336026  0.9192535     27.46918       13.02649  10.36182       13.95078      1.126583       1.838507  
1 1 1 -20 8  21 o 2.136148  1.098107      ?              ?         -56.15457      32.91167      ?              ?         
1 1 1 -20 10 1  o 4.342534  0.3207211     16.51289       3.602160  21.88106       4.157273      -0.6169176     0.6414421 
1 1 1 -20 10 2  o 23.28957  0.8858167     554.2559       58.12530  553.0805       58.14763      0.2549652E-01  1.771633  
1 1 1 -20 10 3  f 14.75486  0.5667557     227.0259       23.66965  212.6397       23.44187      0.4876788      1.133511  
1 1 1 -20 10 4  o 23.84380  0.9101112     590.5435       61.15916  570.5945       61.12853      0.4193746      1.820222  
1 1 1 -20 10 5  o 29.35847  1.221621      869.1436       94.37279  925.0415       109.1170      -0.7938415     2.443241  
1 1 1 -20 10 6  o 17.37166  0.6705801     309.8983       32.77050  301.7062       32.87237      0.2372643      1.341160  
1 1 1 -20 10 7  o 13.13374  0.5237215     173.1894       19.28637  175.3001       19.46687      -0.7936957E-01 1.047443  
1 1 1 -20 10 8  o 21.30355  0.8180164     460.5559       49.10348  466.9940       49.10469      -0.1515496     1.636033  
1 1 1 -20 10 9  o 11.68497  0.4720319     140.3364       15.51698  135.5533       15.55108      0.2056604      0.9440638 
1 1 1 -20 10 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 10 11 o 2.344256  0.5821096     9.862273       5.635662  -4.714200      6.080209      1.390982       1.164219  
1 1 1 -20 10 12 o 12.10759  0.5123413     166.9108       17.39193  131.3371       17.39151      1.478153       1.024683  
1 1 1 -20 10 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 10 14 f 4.704200  0.6423962     33.15323       8.206421  13.40579       8.638955      2.089073       1.284792  
1 1 1 -20 10 15 f 3.540265  0.6854547     24.11575       8.365614  -1.248261      9.136824      2.390738       1.370909  
1 1 1 -20 10 16 o 3.184864  0.7761585     1.256718       8.894156  19.20819       10.02523      -1.648446      1.552317  
1 1 1 -20 10 17 o 6.488639  0.6574966     52.28606       11.24135  41.41076       12.15147      0.9328105      1.314993  
1 1 1 -20 10 18 o 5.084731  0.8483734     29.94397       11.47692  37.95312       12.57235      -0.6362982     1.696747  
1 1 1 -20 10 19 o 2.182685  0.7323173     -12.23218      11.99146  2.314333       13.00018      -0.5627061     1.464635  
1 1 1 -20 10 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 12 1  o 13.20521  0.5173034     184.3963       19.18525  167.0703       19.27964      0.6593357      1.034607  
1 1 1 -20 12 2  o 16.62592  0.6404307     277.8149       29.99734  281.8354       30.00671      -0.1212130     1.280861  
1 1 1 -20 12 3  o 6.430193  0.3533752     45.23648       6.831486  38.57302       5.966524      0.5126991      0.7067505 
1 1 1 -20 12 4  o 9.989633  0.4096730     111.9139       11.65804  89.13568       11.32132      1.143780       0.8193460 
1 1 1 -20 12 5  o 31.96746  1.249199      1085.180       112.5000  1046.825       112.4916      0.6017765      2.498398  
1 1 1 -20 12 6  o 6.839212  0.3649421     45.92540       6.691474  48.70121       7.366736      -0.1976397     0.7298841 
1 1 1 -20 12 7  o 5.575988  0.3961894     37.30019       5.821135  25.19662       6.328769      1.116220       0.7923788 
1 1 1 -20 12 8  o 14.92659  0.5817826     228.4758       24.43853  223.8325       24.49374      0.1565451      1.163565  
1 1 1 -20 12 9  o 6.043453  0.4220759     40.86568       7.097151  33.07521       7.092256      0.6538392      0.8441518 
1 1 1 -20 12 10 o 7.162934  0.4197297     56.98338       8.312283  46.71898       8.495296      0.7268792      0.8394595 
1 1 1 -20 12 11 o 4.031226  0.6152937     19.37079       6.559027  14.28610       7.259657      0.6330739      1.230587  
1 1 1 -20 12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 12 13 o 7.032022  0.5001009     56.14368       9.615208  45.37883       9.939003      0.7861820      1.000202  
1 1 1 -20 12 14 o 5.183952  0.6597866     27.64731       8.976256  30.76747       9.681039      -0.2750294     1.319573  
1 1 1 -20 12 15 o 5.642224  0.6598091     37.82326       9.802318  31.39261       10.55550      0.6285793      1.319618  
1 1 1 -20 12 16 o 2.312873  0.7303523     3.645861       9.546675  -9.478614      10.91213      0.5122576      1.460705  
1 1 1 -20 12 17 o 2.622809  0.7745344     -7.139822      10.18733  15.09483       11.84228      -1.406540      1.549069  
1 1 1 -20 12 18 o 3.053805  0.8767666     5.111283       11.56858  20.70765       13.24563      -1.011989      1.753533  
1 1 1 -20 12 19 o 3.482129  0.9714509     20.05183       13.43466  28.55774       14.94929      -0.4511806     1.942902  
1 1 1 -20 14 1  o 8.440500  0.4402054     74.50084       10.46727  69.42471       10.39389      0.3018954      0.8804108 
1 1 1 -20 14 2  o 16.94464  0.6589195     284.6416       31.42525  298.1755       31.47887      -0.4002416     1.317839  
1 1 1 -20 14 3  o 5.872323  0.3868533     36.90211       6.842967  33.29811       5.939439      0.2979058      0.7737066 
1 1 1 -20 14 4  o 9.771430  0.4191135     100.3298       11.74222  92.43135       11.31286      0.4023571      0.8382271 
1 1 1 -20 14 5  o 12.78097  0.5073648     173.6698       18.23114  156.4540       18.27547      0.6767355      1.014730  
1 1 1 -20 14 6  o 4.841803  0.4888521     18.92050       5.844535  29.69474       7.110807      -1.110847      0.9777042 
1 1 1 -20 14 7  o 9.845531  0.4533041     107.7666       12.25934  87.77923       12.77981      1.028298       0.9066082 
1 1 1 -20 14 8  o 10.16617  0.4506527     99.72775       12.60219  109.8526       13.18037      -0.4938216     0.9013055 
1 1 1 -20 14 9  o 6.650491  0.4577855     55.27229       8.249824  34.80137       8.417298      1.570839       0.9155710 
1 1 1 -20 14 10 o 6.191798  0.4819078     43.62667       8.045009  34.33076       8.486288      0.7758009      0.9638157 
1 1 1 -20 14 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 14 12 o 16.86762  0.6773721     327.4631       32.04882  269.8677       32.13614      1.718888       1.354744  
1 1 1 -20 14 13 o 3.765585  0.7855418     16.72087       8.599340  14.63471       9.407478      0.2229601      1.571084  
1 1 1 -20 14 14 o 7.444135  0.5618349     51.20086       11.25313  67.04248       11.92032      -1.050962      1.123670  
1 1 1 -20 14 15 o 5.134016  0.7664345     25.80443       10.30276  36.22017       11.27625      -0.9381944     1.532869  
1 1 1 -20 14 16 o 8.502675  0.6186659     85.16422       14.12230  79.24473       15.24243      0.4471995      1.237332  
1 1 1 -20 14 17 o 3.623694  0.8950851     27.00002       11.62110  9.812603       13.39813      1.352809       1.790170  
1 1 1 -20 14 18 o 3.104639  0.9225792     14.00731       12.82057  20.31412       14.76625      -0.3146262     1.845158  
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  o 13.79378  0.5536104     209.5833       21.69571  176.8540       21.24700      1.187155       1.107221  
1 1 1 -20 16 5  o 12.56924  0.5167543     178.3357       18.23688  142.2104       18.21314      1.445070       1.033509  
1 1 1 -20 16 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 16 7  o 10.21290  0.4721280     117.7746       13.19029  93.54237       13.82951      1.204545       0.9442560 
1 1 1 -20 16 8  o 1.676690  0.5622855     -8.317007      6.716159  -8.302771      7.628958      -0.1529224     1.124571  
1 1 1 -20 16 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 16 10 o 4.365145  0.6937346     19.25752       7.970810  22.22326       8.774629      -0.3099635     1.387469  
1 1 1 -20 16 11 o 2.190624  0.6850355     -2.353763      7.849242  -0.9097009     8.944583      -0.2364386     1.370071  
1 1 1 -20 16 12 f 10.51532  0.5402697     137.5708       15.47666  94.72321       15.99442      2.076736       1.080539  
1 1 1 -20 16 13 o 5.496217  0.6938642     39.37604       9.849989  26.72347       11.19123      1.262353       1.387728  
1 1 1 -20 16 14 o 2.878104  0.8032891     -1.342558      9.912124  15.77397       11.24312      -1.291644      1.606578  
1 1 1 -20 16 15 o 2.317689  0.7544549     -2.682313      10.82106  -2.959025      12.02938      -0.9589946E-01 1.508910  
1 1 1 -20 16 16 o 3.116964  0.8897040     17.14561       11.77429  8.529752       13.19642      0.5436959      1.779408  
1 1 1 -20 16 17 o 4.681521  0.9991176     30.13633       13.45995  51.11228       15.84533      -1.337880      1.998235  
1 1 1 -20 18 1  o 8.544106  0.5099239     79.84144       11.54589  67.90032       12.92327      0.7293723      1.019848  
1 1 1 -20 18 2  o 4.640237  0.6032690     20.55875       7.936857  24.22028       7.368654      -0.4174824     1.206538  
1 1 1 -20 18 3  o 2.081265  0.6538033     -3.273634      7.757644  -1.813031      7.664767      -0.7681982E-01 1.307607  
1 1 1 -20 18 4  o 2.142994  0.6513661     -2.593631      7.672238  1.372078       6.736495      -0.1460178     1.302732  
1 1 1 -20 18 5  o 12.23423  0.5326037     174.3275       18.19874  131.7244       18.25732      1.753980       1.065207  
1 1 1 -20 18 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 18 7  o 7.549746  0.5249497     65.89698       10.31862  50.28703       11.74084      1.089513       1.049899  
1 1 1 -20 18 8  o 7.826984  0.5156966     73.53418       10.65927  52.18501       11.66013      1.414993       1.031393  
1 1 1 -20 18 9  o 4.234239  0.6862849     30.98482       8.644897  6.399414       9.426533      2.502800       1.372570  
1 1 1 -20 18 10 o 2.264224  0.7092789     -2.403502      8.462475  -0.5313206     9.619824      -0.2544506     1.418558  
1 1 1 -20 18 11 f 2.577513  0.7579116     -0.6812434     8.696056  7.781368       10.15615      -0.7340309     1.515823  
1 1 1 -20 18 12 o 3.733994  0.8571286     16.40690       9.680193  17.22797       11.16998      -0.6785158E-01 1.714257  
1 1 1 -20 18 13 o 6.711463  0.6871724     53.75593       11.98793  50.67034       13.45870      0.3688513      1.374345  
1 1 1 -20 18 14 o 2.635286  0.8171623     1.035730       10.90031  8.231547       12.72104      -0.4915211     1.634325  
1 1 1 -20 18 15 o 2.408138  0.7782970     -9.753545      11.92967  12.49646       13.87685      -1.002220      1.556594  
1 1 1 -20 18 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 20 1  o 4.371912  0.6754097     10.18426       7.947122  31.13699       8.999797      -2.252919      1.350819  
1 1 1 -20 20 2  o 5.313534  0.6261785     19.70442       8.721923  39.88570       9.195130      -1.936925      1.252357  
1 1 1 -20 20 3  o 5.071132  0.6815313     27.81226       10.28697  27.49596       8.763390      -0.2194708E-01 1.363063  
1 1 1 -20 20 4  o 4.201098  0.7737733     21.57797       9.871078  17.50311       8.761621      0.4260443      1.547547  
1 1 1 -20 20 5  o 8.369140  0.5103833     86.47511       11.66200  58.35240       11.92344      1.711357       1.020767  
1 1 1 -20 20 6  o 7.895425  0.5112182     68.83475       11.39249  60.87344       11.15820      0.5023186      1.022436  
1 1 1 -20 20 7  o 7.407672  0.5392601     60.26342       11.01295  55.04765       11.24412      0.3650516      1.078520  
1 1 1 -20 20 8  o 6.857206  0.6050257     55.35484       10.64116  44.13625       12.36521      0.9271505      1.210051  
1 1 1 -20 20 9  o 3.675037  0.8424506     17.07013       9.577698  13.88378       10.67562      0.3030541      1.684901  
1 1 1 -20 20 10 o 4.145611  0.8376108     17.28379       9.293304  25.72256       11.58690      -0.7614931     1.675222  
1 1 1 -20 20 11 o 2.433298  0.7634093     -2.267911      9.614328  4.260207       11.68865      -0.5355628     1.526819  
1 1 1 -20 20 12 f 2.931030  0.8438863     1.088465       10.81433  18.03974       12.73281      -1.159916      1.687773  
1 1 1 -20 20 13 o 2.579093  0.8194345     4.568278       11.50054  2.644413       13.65236      -0.2319466E-01 1.638869  
1 1 1 -20 20 14 o 3.098118  0.9213063     17.42389       12.60016  14.73836       15.41105      0.1937886      1.842613  
1 1 1 -20 20 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 22 1  o 2.648311  0.7655318     0.6788598      8.510207  7.832503       10.16619      -0.6908688     1.531064  
1 1 1 -20 22 2  o 6.776881  0.5846587     38.82696       10.21804  59.43259       11.51049      -1.497133      1.169317  
1 1 1 -20 22 3  o 3.366026  0.8519570     11.77643       11.30153  11.78494       9.455200      0.7699054E-01  1.703914  
1 1 1 -20 22 4  o 2.743237  0.7914594     5.112848       10.31639  4.581334       9.140789      0.1428841      1.582919  
1 1 1 -20 22 5  o 4.805377  0.7828377     20.47975       10.48867  32.34718       10.62718      -1.178035      1.565675  
1 1 1 -20 22 6  o 3.426555  0.8442177     11.88825       10.38878  14.47709       9.796901      -0.2251773     1.688435  
1 1 1 -20 22 7  o 6.422045  0.6544578     52.24381       11.39433  39.46947       11.55057      1.036284       1.308916  
1 1 1 -20 22 8  o 2.539631  0.7603918     -8.928168      10.48751  11.86182       10.97960      -1.212763      1.520784  
1 1 1 -20 22 9  o 2.210277  0.7317097     -6.578496      10.67986  -4.425006      12.26251      -0.2351748     1.463419  
1 1 1 -20 22 10 o 2.526149  0.7825801     11.61123       11.07198  -12.98926      13.35783      0.9603385      1.565160  
1 1 1 -20 22 11 o 3.772609  0.8912705     31.93781       11.98848  9.517897       13.82299      1.763699       1.782541  
1 1 1 -20 22 12 o 4.655339  0.9740793     41.97040       13.28561  33.02209       15.62754      1.101279       1.948159  
1 1 1 -20 22 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 24 1  o 3.929403  0.7984936     32.09767       10.99961  1.668499       11.85842      2.528644       1.596987  
1 1 1 -20 24 2  o 3.461483  0.8500237     6.639206       10.51825  21.86592       11.14930      -1.306416      1.700047  
1 1 1 -20 24 3  o 6.888305  0.7217205     67.11115       14.23042  43.86901       12.77132      1.605291       1.443441  
1 1 1 -20 24 4  o 6.856755  0.6864138     65.77808       12.72909  42.60202       12.73625      1.746865       1.372828  
1 1 1 -20 24 5  o 4.217128  0.8624169     33.11649       11.82812  13.74868       11.37230      1.750350       1.724834  
1 1 1 -20 24 6  o 3.338711  0.9008680     15.37756       11.98470  14.00747       11.66942      0.1044179      1.801736  
1 1 1 -20 24 7  o 3.503942  0.9175596     16.25341       12.05512  19.40823       12.13670      -0.2454731     1.835119  
1 1 1 -20 24 8  o 2.604542  0.8170248     13.14915       12.75596  -4.486131      12.69602      0.8250865      1.634050  
1 1 1 -20 24 9  o 2.728025  0.8677602     12.57257       13.55440  2.152126       15.19513      0.3965959      1.735520  
1 1 1 -20 24 10 o 3.169887  1.617567      ?              ?         65.11980       59.37745      ?              ?         
1 1 1 -20 24 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -20 26 1  o 5.509641  0.8476911     60.29743       13.43148  25.58418       14.32387      3.004004       1.695382  
1 1 1 -20 26 2  o 3.534618  0.9254740     32.95891       14.04770  6.494031       13.74395      1.730681       1.850948  
1 1 1 -20 26 3  o 2.294847  0.7736475     2.600156       14.62824  -12.03917      13.67990      0.5056204      1.547295  
1 1 1 -20 26 4  o 2.837610  0.8549673     -6.193470      14.60100  22.56334       13.45716      -1.312959      1.709935  
1 1 1 -20 26 5  o 2.724856  0.8676005     12.36980       14.93878  5.840506       13.29814      0.3160562      1.735201  
1 1 1 -20 26 6  o 2.543591  0.8364765     12.09245       15.28503  -0.4931570     14.18439      0.4783115      1.672953  
1 1 1 -20 26 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 1  1  o 12.05647  0.6542347     167.2343       22.05627  127.7515       21.98702      1.653012       1.308469  
1 1 1 -19 1  2  o 9.994312  0.5363964     115.2539       15.13974  86.97928       14.79712      1.424530       1.072793  
1 1 1 -19 1  3  o 12.39521  0.6895765     173.2579       23.96922  139.1247       23.82599      1.388655       1.379153  
1 1 1 -19 1  4  f 6.764760  0.4256474     51.99253       7.699526  39.87706       8.347820      0.9171814      0.8512949 
1 1 1 -19 1  5  o 5.172730  0.4037852     32.13352       5.401229  21.50437       6.049515      1.065884       0.8075704 
1 1 1 -19 1  6  f 12.34062  0.6892082     161.6420       23.87042  148.5256       23.82058      0.5348189      1.378416  
1 1 1 -19 1  7  o 6.889506  0.4381526     54.51331       8.390265  41.23030       8.403492      0.9772446      0.8763053 
1 1 1 -19 1  8  o 18.84558  1.056378      373.7791       55.81815  359.5091       55.85959      0.3816260      2.112756  
1 1 1 -19 1  9  o 22.01875  1.098231      521.6456       75.92241  485.1133       62.00032      0.6852529      2.196462  
1 1 1 -19 1  10 o 19.62193  0.7611845     366.0523       42.00864  415.3122       42.06499      -1.260206      1.522369  
1 1 1 -19 1  11 f 25.84657  1.014410      681.0934       73.85094  693.8770       73.87898      -0.2477969     2.028819  
1 1 1 -19 1  12 f 17.73213  0.6963926     317.1532       34.78114  322.8736       34.79600      -0.1616807     1.392785  
1 1 1 -19 1  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 1  14 o 24.33687  0.9707016     606.3580       66.50438  634.7947       66.56316      -0.5852442     1.941403  
1 1 1 -19 1  15 o 10.85790  0.4800466     122.0653       14.66342  117.9814       14.67084      0.1889477      0.9600933 
1 1 1 -19 1  16 o 4.935847  0.7061731     25.11749       9.570596  27.23944       9.472369      -0.2192054     1.412346  
1 1 1 -19 1  17 o 5.762066  0.5738361     27.68546       8.875545  41.94106       9.091025      -1.267251      1.147672  
1 1 1 -19 1  18 o 3.034212  0.7935092     10.38147       9.051843  7.494220       9.059053      0.2615286      1.587018  
1 1 1 -19 1  19 o 4.903588  0.7425069     40.46860       10.44878  15.69819       10.54154      2.395113       1.485014  
1 1 1 -19 1  20 o 3.987060  0.8710129     29.44259       11.49537  13.72135       11.34786      1.417968       1.742026  
1 1 1 -19 1  21 o 2.394467  0.7843971     4.431055       12.69368  -2.866205      12.70805      0.2848293      1.568794  
1 1 1 -19 1  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 3  1  o 9.934928  0.3873552     95.62866       10.82420  103.0638       10.85135      -0.3753763     0.7747104 
1 1 1 -19 3  2  o 26.89572  1.095267      712.7046       89.44945  779.8145       77.54935      -1.403365      2.190534  
1 1 1 -19 3  3  o 24.35741  0.9341537     640.2902       64.11395  578.2986       64.01911      1.276527       1.868307  
1 1 1 -19 3  4  o 28.45864  1.122387      822.6553       89.93436  861.3503       90.00227      -0.6813163     2.244774  
1 1 1 -19 3  5  o 20.63081  0.7996519     412.3793       46.40903  456.2149       46.48754      -1.065862      1.599304  
1 1 1 -19 3  6  o 2.717027  0.3734433     9.072840       2.754562  5.964533       2.801910      0.5805065      0.7468867 
1 1 1 -19 3  7  o 17.38079  0.6703300     301.5903       32.81595  311.1380       32.83562      -0.2753795     1.340660  
1 1 1 -19 3  8  o 32.15513  1.264137      1074.924       114.5276  1076.404       114.5096      -0.2328487E-01 2.528274  
1 1 1 -19 3  9  o 5.130970  0.3605773     26.24049       4.458793  27.50236       6.358758      -0.9807561E-01 0.7211546 
1 1 1 -19 3  10 o 17.58593  0.9831696     317.6583       48.46755  318.4295       48.54360      -0.2127897E-01 1.966339  
1 1 1 -19 3  11 o 25.87542  1.495768      710.8928       108.4634  715.0433       108.5666      -0.7915048E-01 2.991537  
1 1 1 -19 3  12 o 24.74716  1.435909      663.3540       99.59763  648.9349       99.63777      0.2941205      2.871818  
1 1 1 -19 3  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 3  14 o 12.44083  0.7534500     169.1275       26.01025  150.4326       26.44541      0.7660989      1.506900  
1 1 1 -19 3  15 o 9.004678  0.6692073     98.38443       16.11058  68.56171       17.05683      1.713637       1.338415  
1 1 1 -19 3  16 o 2.448301  0.7650803     0.3899343      9.625207  -6.302417      11.55244      0.1205941      1.530161  
1 1 1 -19 3  17 o 4.975219  0.8742684     28.66169       11.31789  27.50077       13.62200      0.1801029      1.748537  
1 1 1 -19 3  18 o 2.772906  0.8429367     -6.826145      11.61141  10.85303       14.11641      -1.148389      1.685873  
1 1 1 -19 3  19 o 3.199381  0.8805642     16.14412       13.00164  6.909484       10.43820      0.7748222      1.761128  
1 1 1 -19 3  20 o 3.736414  0.8910549     13.25125       11.42642  25.87239       11.74555      -1.077505      1.782110  
1 1 1 -19 3  21 o 2.210581  0.7419960     -11.09871      12.62219  3.579887       13.01931      -0.5082873     1.483992  
1 1 1 -19 3  22 o 2.275107  1.160825      ?              ?         -27.71761      30.50068      ?              ?         
1 1 1 -19 5  1  o 19.46291  0.7109950     369.1039       38.94070  401.0169       39.03259      -0.8218030     1.421990  
1 1 1 -19 5  2  o 19.38654  0.7370467     381.7332       40.25482  384.0381       40.27722      -0.5941623E-01 1.474093  
1 1 1 -19 5  3  o 16.15639  0.6117783     273.2376       27.89406  255.7684       27.79499      0.5416396      1.223557  
1 1 1 -19 5  4  o 4.432627  0.2862260     16.93906       3.461020  22.69954       3.595788      -0.6562073     0.5724520 
1 1 1 -19 5  5  f 12.51075  0.4832950     152.6938       16.96795  163.1516       17.09360      -0.4185075     0.9665899 
1 1 1 -19 5  6  o 29.81612  1.153285      914.2711       96.88210  929.8170       96.89063      -0.2614024     2.306571  
1 1 1 -19 5  7  o 16.89262  0.6482661     295.5293       30.86938  282.4074       30.83462      0.3893995      1.296532  
1 1 1 -19 5  8  o 17.87038  0.6901715     313.0724       34.71903  333.9987       34.76118      -0.5872466     1.380343  
1 1 1 -19 5  9  o 30.48765  1.189667      950.0675       102.1556  973.4839       102.2115      -0.3846672     2.379334  
1 1 1 -19 5  10 o 20.68627  0.8015015     434.9316       46.70364  436.8944       46.72874      -0.4737747E-01 1.603003  
1 1 1 -19 5  11 o 6.864826  0.3605754     61.06796       6.801676  34.97718       6.732089      1.919921       0.7211509 
1 1 1 -19 5  12 o 21.19231  0.8272566     462.9649       49.39437  459.2466       49.39311      0.8798730E-01  1.654513  
1 1 1 -19 5  13 f 4.381701  0.4915763     19.85765       5.798412  19.86427       5.984564      0.3953725E-02  0.9831525 
1 1 1 -19 5  14 o 8.892295  0.4690030     88.71851       10.89482  70.61403       12.51521      1.053421       0.9380059 
1 1 1 -19 5  15 o 5.110179  1.101574      23.83676       17.08261  33.91036       17.90132      -0.7769467     2.203148  
1 1 1 -19 5  16 o 9.039803  0.4793961     84.69128       12.07603  83.39809       12.26152      0.7593629E-01  0.9587922 
1 1 1 -19 5  17 o 9.590897  0.5106307     96.10516       13.65660  95.93813       13.84568      0.1459424E-01  1.021261  
1 1 1 -19 5  18 o 5.707146  0.6565475     39.82314       10.00951  31.73466       10.43136      0.7564561      1.313095  
1 1 1 -19 5  19 o 2.423104  0.7759907     4.872058       10.11064  -21.77295      15.98209      0.4734614      1.551981  
1 1 1 -19 5  20 o 2.980555  0.9059970     21.37665       14.56174  -11.75352      17.75326      1.254279       1.811994  
1 1 1 -19 5  21 o 3.071686  0.9874718     14.01284       17.19350  23.07638       20.48323      -0.2928395     1.974944  
1 1 1 -19 7  1  o 5.831091  0.2818850     34.23417       4.532340  34.24253       4.715307      0.9089377E-03  0.5637701 
1 1 1 -19 7  2  o 18.01111  0.6672005     332.2819       33.86309  326.4790       33.87627      0.1616566      1.334401  
1 1 1 -19 7  3  o 2.110394  0.4390890     5.518076       3.109178  3.753224       2.545013      0.3746856      0.8781780 
1 1 1 -19 7  4  f 2.090024  0.4160439     6.537442       2.755348  2.015407       2.722922      0.8604219      0.8320878 
1 1 1 -19 7  5  o 16.08467  0.6217960     255.1337       28.11015  268.6929       28.23785      -0.4219576     1.243592  
1 1 1 -19 7  6  o 25.05950  0.9730467     640.3158       68.68978  647.5369       68.71600      -0.1442831     1.946093  
1 1 1 -19 7  7  o 13.60927  0.5250193     182.9333       20.11229  190.7958       20.14706      -0.2895820     1.050039  
1 1 1 -19 7  8  o 22.96358  0.8799469     527.9660       56.92054  547.8322       56.94410      -0.4337330     1.759894  
1 1 1 -19 7  9  o 16.42768  0.6349958     281.2726       29.37857  264.9448       29.38860      0.4987499      1.269992  
1 1 1 -19 7  10 o 3.823237  0.4238711     16.77085       4.330008  12.88930       4.516224      0.5278924      0.8477423 
1 1 1 -19 7  11 o 1.759566  0.5229512     -1.306783      4.444797  1.876616       4.539675      -0.3303975     1.045902  
1 1 1 -19 7  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 7  13 o 2.659058  0.6298442     10.00977       5.810870  2.471982       6.028242      0.8770213      1.259688  
1 1 1 -19 7  14 o 10.24588  0.4701628     117.0702       13.44644  96.11620       13.58212      1.031572       0.9403256 
1 1 1 -19 7  15 o 4.921051  1.047414      19.77807       14.03922  36.17048       18.17651      -1.329488      2.094829  
1 1 1 -19 7  16 o 6.778779  0.5674098     68.17308       9.821985  29.76350       10.03533      2.917798       1.134820  
1 1 1 -19 7  17 f 6.629331  0.5713653     45.31062       10.21718  48.76738       10.77899      -0.2396627     1.142731  
1 1 1 -19 7  18 o 3.194609  0.8282722     11.61978       9.506495  10.46087       10.12638      0.7993698E-01  1.656544  
1 1 1 -19 7  19 o 2.803976  0.7811593     -5.001491      10.25915  17.95336       11.03065      -1.553276      1.562319  
1 1 1 -19 7  20 o 3.278110  0.9088965     13.27267       11.96811  19.59427       12.75696      -0.4310291     1.817793  
1 1 1 -19 7  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 9  1  o 18.76551  0.7011389     357.6323       37.06058  357.5531       37.10379      0.2456824E-02  1.402278  
1 1 1 -19 9  2  o 33.15221  1.270000      1167.737       118.6414  1125.993       118.6102      0.6311958      2.540001  
1 1 1 -19 9  3  o 19.19359  0.7016876     382.3357       38.02724  365.1384       37.88588      0.4482476      1.403375  
1 1 1 -19 9  4  o 35.35233  1.382822      1312.260       137.7145  1308.149       137.7482      0.5873956E-01  2.765643  
1 1 1 -19 9  5  o 24.73368  0.9634786     609.7910       67.06071  642.8769       67.18964      -0.6699631     1.926957  
1 1 1 -19 9  6  o 8.675074  0.3637251     79.71886       8.790147  71.44103       8.966783      0.4806679      0.7274501 
1 1 1 -19 9  7  o 13.70578  0.5246708     187.1440       20.24022  191.9518       20.28418      -0.1756560     1.049342  
1 1 1 -19 9  8  o 9.885315  0.4011739     96.81579       11.12893  100.0114       11.20856      -0.1616806     0.8023479 
1 1 1 -19 9  9  o 8.039344  0.3648366     69.77394       8.205786  60.18056       8.273870      0.6008504      0.7296732 
1 1 1 -19 9  10 o 24.38366  0.9462498     601.9567       64.95456  624.3721       65.04898      -0.4600050     1.892500  
1 1 1 -19 9  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 9  12 o 10.44196  0.4539222     125.6650       13.29026  95.18999       13.24061      1.468455       0.9078445 
1 1 1 -19 9  13 o 6.130869  0.4549236     29.87036       7.475787  46.98918       7.824975      -1.416326      0.9098473 
1 1 1 -19 9  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 9  15 o 3.357873  0.7464424     12.92137       7.625788  10.71082       8.299198      0.2255304      1.492885  
1 1 1 -19 9  16 o 3.611919  0.7709288     17.94112       8.442957  9.903879       9.262823      0.8351236      1.541858  
1 1 1 -19 9  17 o 2.248932  0.7101054     -4.595907      8.982021  1.149383       9.657991      -0.3980254     1.420211  
1 1 1 -19 9  18 o 2.928830  0.8229554     4.868104       9.945088  12.04277       10.76506      -0.5782518     1.645911  
1 1 1 -19 9  19 o 2.130606  0.7132620     -7.464475      10.93993  -5.224989      11.93523      -0.1705766     1.426524  
1 1 1 -19 9  20 o 2.477189  0.7985665     -5.269064      12.48053  13.31747       13.60667      -0.8131468     1.597133  
1 1 1 -19 9  21 o 2.444867  1.221423      0.1554567      24.60810  ?              ?             ?              ?         
1 1 1 -19 11 1  o 27.24368  1.035748      771.9586       79.49737  752.9216       79.52859      0.3507381      2.071497  
1 1 1 -19 11 2  o 23.03468  0.8814194     553.2133       57.20850  529.3606       57.19537      0.5193139      1.762839  
1 1 1 -19 11 3  o 35.08394  1.316921      1334.366       130.1777  1227.387       130.1028      1.529245       2.633842  
1 1 1 -19 11 4  o 25.81379  1.067000      699.2916       83.77288  675.0617       72.54747      0.3615943      2.134001  
1 1 1 -19 11 5  o 14.66758  0.6109775     213.6247       23.57204  222.9446       27.29370      -0.2924202     1.221955  
1 1 1 -19 11 6  o 21.36276  0.8215881     473.5167       49.42346  456.3065       49.47561      0.4045244      1.643176  
1 1 1 -19 11 7  o 16.24638  0.6057532     265.5365       27.68732  268.7997       27.78614      -0.1000024     1.211506  
1 1 1 -19 11 8  o 17.79996  0.6806548     329.4877       34.13187  314.2793       34.13567      0.4286258      1.361310  
1 1 1 -19 11 9  o 5.312829  0.3848327     31.39417       5.583543  25.50881       5.782602      0.5662121      0.7696655 
1 1 1 -19 11 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 11 11 o 17.06710  0.6615707     313.5107       31.76428  282.0813       31.81184      0.9251509      1.323141  
1 1 1 -19 11 12 o 10.53793  0.4624385     115.4739       13.66045  110.1193       13.76514      0.2564856      0.9248770 
1 1 1 -19 11 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 11 14 f 2.575735  0.6779669     11.42770       7.467731  -6.029309      8.239408      1.340903       1.355934  
1 1 1 -19 11 15 o 2.356457  0.7096738     3.586876       7.980711  -2.726623      8.990622      0.3035503      1.419348  
1 1 1 -19 11 16 f 3.699860  0.8140747     14.66474       9.020039  16.97391       9.869699      -0.2383511     1.628149  
1 1 1 -19 11 17 o 4.243997  0.8040243     27.30539       9.863400  15.36711       10.73750      1.234163       1.608049  
1 1 1 -19 11 18 o 3.329946  0.8498473     22.02456       10.86113  4.060920       11.98442      1.348787       1.699695  
1 1 1 -19 11 19 o 3.701209  0.9404295     25.06198       12.14265  19.65064       13.44029      0.5046738      1.880859  
1 1 1 -19 11 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 13 1  o 4.361589  0.3640062     18.26179       4.059627  20.71223       4.833379      -0.2707516     0.7280124 
1 1 1 -19 13 2  o 21.05193  0.8051012     479.5329       47.76113  421.6911       47.65076      1.378690       1.610202  
1 1 1 -19 13 3  o 4.268777  0.3894074     21.99975       4.863535  15.26344       4.269252      0.7941896      0.7788147 
1 1 1 -19 13 4  o 8.951282  0.4139813     80.82314       11.34172  80.80411       9.697455      -0.1127803E-01 0.8279627 
1 1 1 -19 13 5  o 17.24791  0.6685551     308.5005       32.47077  295.1823       32.49833      0.3875813      1.337110  
1 1 1 -19 13 6  o 10.50647  0.4400711     109.1442       12.77978  113.7499       13.26728      -0.2162957     0.8801422 
1 1 1 -19 13 7  o 11.46201  0.4710687     139.4521       15.07883  125.6014       15.31222      0.6089814      0.9421374 
1 1 1 -19 13 8  o 6.653766  0.5445818     46.72533       9.836965  43.73992       10.28599      0.2354481      1.089164  
1 1 1 -19 13 9  o 2.227113  0.5635461     -3.392055      5.203991  8.994744       5.516541      -1.350812      1.127092  
1 1 1 -19 13 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 13 11 o 2.580771  0.6693267     7.067044       6.149077  3.535643       6.872078      0.3021461      1.338653  
1 1 1 -19 13 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 13 13 o 2.357343  0.6951581     3.918656       7.546991  -1.088691      8.106627      0.3076510      1.390316  
1 1 1 -19 13 14 o 8.780842  0.5003675     82.24242       12.08086  78.09167       12.56979      0.2527649      1.000735  
1 1 1 -19 13 15 o 4.583898  0.7604063     21.53875       9.099229  27.02327       10.34000      -0.5136498     1.520813  
1 1 1 -19 13 16 o 1.974792  0.6621093     -7.719143      9.359480  -10.43676      10.54554      -0.4092957E-01 1.324219  
1 1 1 -19 13 17 o 5.633806  0.7671791     44.24682       11.32281  32.86481       12.56486      1.158009       1.534358  
1 1 1 -19 13 18 o 2.688729  0.8284521     10.63623       11.34536  1.199119       13.04822      0.4174851      1.656904  
1 1 1 -19 13 19 o 2.727483  1.343978      ?              ?         4.877263       26.08985      ?              ?         
1 1 1 -19 15 1  o 14.39865  0.5697794     213.4265       23.11327  206.3630       23.10571      0.2460413      1.139559  
1 1 1 -19 15 2  o 7.257211  0.3648093     62.32977       7.597191  44.18332       7.179514      1.256434       0.7296187 
1 1 1 -19 15 3  o 2.180070  0.5929612     6.761108       6.433339  0.5328251E-01  4.630409      0.9677809      1.185922  
1 1 1 -19 15 4  o 6.005785  0.4010573     31.28529       7.398645  40.61759       6.103301      -0.8116620     0.8021146 
1 1 1 -19 15 5  o 3.750881  0.4881584     25.18190       5.044083  4.595549       5.302405      2.618582       0.9763169 
1 1 1 -19 15 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 15 7  o 8.342336  0.4185031     79.97144       9.468215  60.35138       10.02518      1.194100       0.8370062 
1 1 1 -19 15 8  o 23.31141  1.040483      669.0473       67.72286  481.6226       67.51869      4.045421       2.080966  
1 1 1 -19 15 9  o 7.903608  0.4313181     74.73325       9.346919  52.06073       9.571266      1.454067       0.8626362 
1 1 1 -19 15 10 o 7.470217  0.4631719     67.07265       9.342458  46.47843       9.793242      1.407909       0.9263439 
1 1 1 -19 15 11 o 16.32202  0.6502496     281.7815       29.75379  272.3961       30.03669      0.2947891      1.300499  
1 1 1 -19 15 12 o 2.709198  0.7316279     8.995253       7.657917  0.9679585      8.668778      0.6016036      1.463256  
1 1 1 -19 15 13 o 6.833663  0.5525217     38.42802       9.947605  60.34798       10.71990      -1.608183      1.105043  
1 1 1 -19 15 14 o 7.767784  0.5594205     77.04842       11.59745  51.34349       12.20505      1.718762       1.118841  
1 1 1 -19 15 15 o 11.23190  0.5705562     143.1003       17.66803  132.1870       18.33635      0.5286679      1.141112  
1 1 1 -19 15 16 o 2.900486  0.7901442     18.16507       10.22657  -6.698366      11.94950      1.490750       1.580288  
1 1 1 -19 15 17 o 6.000368  0.8162653     58.99258       12.81936  37.30367       14.57902      2.074870       1.632531  
1 1 1 -19 15 18 o 3.361419  1.001311      24.14943       16.46213  24.45199       16.01805      -0.3734447E-01 2.002622  
1 1 1 -19 17 1  o 10.64551  0.4582585     125.1099       13.77239  103.9988       13.63056      0.9957991      0.9165170 
1 1 1 -19 17 2  o 9.289271  0.4280276     87.25687       11.26962  87.38225       11.10170      -0.8456771E-02 0.8560553 
1 1 1 -19 17 3  o 8.269377  0.4405590     68.64425       10.78959  69.91438       9.745698      -0.8944883E-01 0.8811180 
1 1 1 -19 17 4  o 16.59197  0.7139443     306.6854       36.01357  261.7831       30.97625      1.286760       1.427889  
1 1 1 -19 17 5  o 12.07133  0.7393330     154.7139       24.84711  146.6280       25.12784      0.3425511      1.478666  
1 1 1 -19 17 6  o 10.51077  0.4665068     123.1899       13.75934  100.8759       13.76129      1.068290       0.9330136 
1 1 1 -19 17 7  o 3.281837  0.6870089     7.431324       6.457633  15.33003       7.533594      -0.9928464     1.374018  
1 1 1 -19 17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 17 9  o 10.47560  0.4860688     123.1636       14.14869  101.0953       14.41599      1.065992       0.9721376 
1 1 1 -19 17 10 o 16.10265  0.7108950     304.5336       34.57809  247.0441       29.99378      1.655286       1.421790  
1 1 1 -19 17 11 o 5.845631  0.6098971     47.49767       9.069555  24.62280       9.944255      2.061388       1.219794  
1 1 1 -19 17 12 o 7.200482  0.5968376     74.86064       10.77569  36.69410       11.61355      2.764254       1.193675  
1 1 1 -19 17 13 o 4.803740  0.7581887     27.22804       9.500466  26.50283       10.74721      0.1531455      1.516377  
1 1 1 -19 17 14 o 4.351682  0.8375341     27.36644       10.19844  19.15948       11.76530      0.8879099      1.675068  
1 1 1 -19 17 15 o 3.010984  0.8611703     11.19066       10.67500  9.214970       12.25742      0.8769798E-01  1.722341  
1 1 1 -19 17 16 o 2.330003  0.7432313     -15.63350      11.32967  14.83806       13.42825      -1.348206      1.486463  
1 1 1 -19 17 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 19 1  o 5.013095  0.5382453     32.51853       6.963044  18.66603       7.630023      1.449027       1.076491  
1 1 1 -19 19 2  o 6.193194  0.4905507     44.19853       8.417195  34.11478       8.377046      0.8291966      0.9811014 
1 1 1 -19 19 3  o 7.285514  0.5139591     38.00042       10.44473  71.23861       9.430957      -2.352277      1.027918  
1 1 1 -19 19 4  o 18.79762  0.8077573     408.4471       46.13517  337.2318       39.64102      1.755641       1.615515  
1 1 1 -19 19 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 19 6  o 3.510791  0.7047140     5.811079       7.875859  19.28457       7.895382      -1.495926      1.409428  
1 1 1 -19 19 7  o 9.340957  0.4952724     111.0186       12.66970  69.38627       12.78054      2.255486       0.9905447 
1 1 1 -19 19 8  f 8.933999  0.5230089     98.09817       12.39762  66.96227       13.38750      1.795323       1.046018  
1 1 1 -19 19 9  o 7.866553  0.5333583     74.05065       11.05614  54.45211       12.19425      1.309458       1.066717  
1 1 1 -19 19 10 o 4.933427  0.7056059     23.42896       8.887879  31.31219       10.15280      -0.7340609     1.411212  
1 1 1 -19 19 11 o 4.266594  0.8017004     19.53084       9.167729  23.96791       10.61512      -0.4037018     1.603401  
1 1 1 -19 19 12 o 8.792912  0.5697543     97.00120       13.44298  71.44407       14.29991      1.531800       1.139509  
1 1 1 -19 19 13 o 2.220166  0.7200856     -11.27451      10.09697  4.854939       11.97167      -0.8755309     1.440171  
1 1 1 -19 19 14 o 2.537011  0.8051714     -0.1502398     11.01956  6.915967       13.26173      -0.4697123     1.610343  
1 1 1 -19 19 15 o 2.171881  0.7268803     5.632163       11.86817  -19.56410      13.91691      0.6435972      1.453761  
1 1 1 -19 19 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 21 1  o 9.675540  0.4987805     104.8724       13.22418  87.14590       13.83230      0.9381511      0.9975609 
1 1 1 -19 21 2  o 4.311701  0.6642068     8.726315       7.587617  32.31548       9.047523      -2.536201      1.328414  
1 1 1 -19 21 3  o 6.624223  0.6229258     47.61944       13.73847  45.89924       9.946501      -0.7324086E-02 1.245852  
1 1 1 -19 21 4  o 6.599356  0.5446247     47.22508       10.37045  44.27688       9.615239      0.2015559      1.089249  
1 1 1 -19 21 5  o 2.323001  0.7014163     4.087373       8.333488  -3.414086      8.418911      0.4980766      1.402833  
1 1 1 -19 21 6  o 4.621350  0.6969335     32.85301       9.199605  13.80075       9.065694      1.981540       1.393867  
1 1 1 -19 21 7  o 5.646196  0.6359773     41.52958       9.571153  26.81948       9.927623      1.365666       1.271955  
1 1 1 -19 21 8  o 6.017576  0.6645339     41.11063       10.20166  38.76047       11.89171      0.3047605      1.329068  
1 1 1 -19 21 9  o 5.493470  0.7233163     43.00280       10.30697  24.60870       11.78032      1.791630       1.446633  
1 1 1 -19 21 10 o 3.341765  0.8377516     14.64246       9.044800  10.92525       11.46282      0.2866674      1.675503  
1 1 1 -19 21 11 o 2.455565  0.7749324     1.174936       10.07561  0.6089570      11.95375      -0.1240623     1.549865  
1 1 1 -19 21 12 o 3.564597  0.9132718     20.41235       11.22186  16.22376       13.00261      0.3868025      1.826544  
1 1 1 -19 21 13 o 2.874205  0.8704559     4.558115       11.72374  19.54163       14.40518      -0.8492526     1.740912  
1 1 1 -19 21 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 23 1  o 5.702646  0.6450218     38.44989       9.477861  31.81898       10.75537      0.6721737      1.290044  
1 1 1 -19 23 2  o 5.172771  0.7213857     39.04254       9.872961  19.66625       11.11982      1.916289       1.442771  
1 1 1 -19 23 3  o 3.906187  0.8237794     7.853849       11.53478  25.02705       10.09659      -1.559909      1.647559  
1 1 1 -19 23 4  o 4.810595  0.7586826     27.37259       9.911372  26.29222       10.22555      0.1294708      1.517365  
1 1 1 -19 23 5  o 5.577877  0.7085266     30.58179       10.87577  39.67766       10.65294      -0.8512856     1.417053  
1 1 1 -19 23 6  o 5.930470  0.6761345     36.19946       11.03294  43.41073       10.83490      -0.6402657     1.352269  
1 1 1 -19 23 7  o 3.640474  0.8382254     22.35091       10.35170  10.05890       10.41567      1.140489       1.676451  
1 1 1 -19 23 8  o 2.594792  0.7958072     3.820202       10.69732  3.141483       10.92628      0.2249535E-01  1.591614  
1 1 1 -19 23 9  o 3.891903  0.8915449     28.05798       11.35338  13.10774       12.96281      1.316451       1.783090  
1 1 1 -19 23 10 o 2.659085  0.8256314     1.209141       10.89799  12.50906       13.64175      -0.7040151     1.651263  
1 1 1 -19 23 11 o 3.237608  0.8511297     29.60588       12.16049  -2.197368      14.16300      1.907677       1.702259  
1 1 1 -19 23 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 25 1  o 3.832201  0.8838196     18.81525       10.64891  20.04073       11.38476      -0.8816472E-01 1.767639  
1 1 1 -19 25 2  o 3.438432  0.8825882     14.19305       10.66876  16.24981       11.51976      -0.1712461     1.765176  
1 1 1 -19 25 3  o 2.795011  0.8490459     2.836356       13.08861  7.960306       11.38842      -0.1871513     1.698092  
1 1 1 -19 25 4  o 7.856403  0.6771325     63.74056       15.04097  81.62431       14.21979      -1.255757      1.354265  
1 1 1 -19 25 5  o 4.786201  0.8771234     30.33258       12.06589  32.97352       11.90683      -0.2704616     1.754247  
1 1 1 -19 25 6  o 3.642098  0.9191623     31.20818       13.91492  11.14963       11.40116      1.455099       1.838325  
1 1 1 -19 25 7  o 4.600051  0.9191425     27.63246       12.42358  37.48782       12.81684      -0.8513138     1.838285  
1 1 1 -19 25 8  o 2.198071  0.7409377     1.987061       12.94428  -10.85792      12.98217      0.4042905      1.481875  
1 1 1 -19 25 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 25 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 27 1  o 2.607432  0.7875375     20.31146       12.19063  -11.66101      13.05240      1.433857       1.575075  
1 1 1 -19 27 2  o 3.785299  1.006985      25.46813       15.54570  30.51972       14.21959      -0.4577900     2.013970  
1 1 1 -19 27 3  o 2.154682  0.7372996     6.994931       15.81392  -19.99011      13.53623      0.8220066      1.474599  
1 1 1 -19 27 4  o 2.813356  1.374630      ?              ?         10.24274       25.54617      ?              ?         
1 1 1 -19 27 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -19 27 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 0  5  o 4.533577  0.3641533     20.96766       3.251302  20.96766       3.251302      ?              ?         
1 1 1 -18 0  6  o 8.999232  0.5126324     81.92718       9.157552  81.92718       9.157552      ?              ?         
1 1 1 -18 0  7  o 2.039172  0.6868365     5.372774       2.502662  5.372774       2.502662      ?              ?         
1 1 1 -18 0  8  o 2.302209  0.7031693     6.602525       2.827933  6.602525       2.827933      ?              ?         
1 1 1 -18 0  9  o 21.65498  1.188317      476.9763       51.10927  476.9763       51.10927      ?              ?         
1 1 1 -18 0  10 o 27.55380  1.519008      775.8362       83.12315  775.8362       83.12315      ?              ?         
1 1 1 -18 0  11 o 30.61392  1.690705      961.6017       102.7912  961.6017       102.7912      ?              ?         
1 1 1 -18 0  12 o 19.78363  1.082358      398.0694       42.53094  398.0694       42.53094      ?              ?         
1 1 1 -18 0  13 o 1.688635  0.9410479     3.905578       4.721920  3.905578       4.721920      ?              ?         
1 1 1 -18 0  14 o 18.77840  1.038323      359.9565       38.72157  359.9565       38.72157      ?              ?         
1 1 1 -18 0  15 o 16.20157  0.9144169     268.0764       29.41242  268.0764       29.41242      ?              ?         
1 1 1 -18 0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 0  17 o 6.112503  0.7570643     39.59490       8.873531  39.59490       8.873531      ?              ?         
1 1 1 -18 0  18 o 1.565394  1.034686      -1.298436      8.414238  -1.298436      8.414238      ?              ?         
1 1 1 -18 0  19 f 4.539896  1.272002      26.41394       9.994752  26.41394       9.994752      ?              ?         
1 1 1 -18 0  20 o 3.793488  1.513483      22.70870       11.11437  22.70870       11.11437      ?              ?         
1 1 1 -18 0  21 o 4.382472  1.571713      30.75805       12.59206  30.75805       12.59206      ?              ?         
1 1 1 -18 0  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 2  1  o 25.13299  0.9637454     635.7933       68.22746  659.5135       68.26146      -0.4730637     1.927491  
1 1 1 -18 2  2  o 15.20270  0.5680026     234.6008       24.33497  232.7143       24.33923      0.6224984E-01  1.136005  
1 1 1 -18 2  3  o 8.035669  0.3260921     68.21471       7.468816  61.68439       7.283180      0.4066395      0.6521842 
1 1 1 -18 2  4  o 14.27094  0.6551493     204.5321       22.75445  211.8589       32.27254      -0.1686388     1.310299  
1 1 1 -18 2  5  o 4.831165  0.3697020     30.29538       4.839736  17.17323       4.816057      1.388852       0.7394041 
1 1 1 -18 2  6  o 15.19770  0.8452035     251.8590       36.02896  221.4923       35.95169      1.006282       1.690407  
1 1 1 -18 2  7  o 18.83118  1.043654      396.4956       55.06905  336.0658       54.98458      1.617636       2.087309  
1 1 1 -18 2  8  o 10.78238  0.6074947     125.7563       18.34120  109.7964       18.35228      0.7464901      1.214989  
1 1 1 -18 2  9  o 22.69443  1.279703      570.5958       81.36997  502.0393       81.32923      1.522618       2.559407  
1 1 1 -18 2  10 o 17.11957  0.9580308     310.9483       45.98888  290.3064       45.99091      0.6071991      1.916062  
1 1 1 -18 2  11 o 9.945304  0.5835761     102.1381       16.16967  98.55792       16.36346      0.1831533      1.167152  
1 1 1 -18 2  12 o 15.60604  0.8781028     255.0456       38.36231  245.5341       38.50693      0.3084887      1.756206  
1 1 1 -18 2  13 o 17.08726  0.9673752     291.0768       46.20079  315.1311       46.46914      -0.7051594     1.934750  
1 1 1 -18 2  14 o 9.279595  0.4886605     88.35682       15.26499  87.03693       11.14970      0.2092732E-01  0.9773210 
1 1 1 -18 2  15 o 9.856781  0.4496869     98.14109       12.47432  99.24422       12.46528      -0.5631271E-01 0.8993738 
1 1 1 -18 2  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 2  17 o 4.021070  0.6991383     21.96123       7.989627  12.57030       8.200038      1.077425       1.398277  
1 1 1 -18 2  18 o 5.199049  0.6556635     27.11246       9.240050  31.95968       9.313444      -0.4725826     1.311327  
1 1 1 -18 2  19 o 7.291073  0.5756443     48.62850       11.44516  66.74831       11.68136      -1.254319      1.151289  
1 1 1 -18 2  20 o 2.277993  0.7328340     3.919104       10.64254  -8.965974      10.86994      0.5696499      1.465668  
1 1 1 -18 2  21 o 6.303931  0.7931790     50.28304       13.34165  57.14459       13.88401      -0.4665247     1.586358  
1 1 1 -18 2  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 4  1  o 8.255622  0.3213846     68.06841       7.400806  69.04772       7.552224      -0.5851524E-01 0.6427692 
1 1 1 -18 4  2  o 7.240916  0.3095920     49.97561       6.770244  54.92053       5.924872      -0.3501906     0.6191840 
1 1 1 -18 4  3  o 27.01681  1.050431      754.2996       79.95993  755.6976       79.95952      -0.2595912E-01 2.100862  
1 1 1 -18 4  4  o 4.894437  0.2612191     23.37128       3.537107  24.91399       3.641293      -0.1574303     0.5224382 
1 1 1 -18 4  5  o 6.977190  0.3025133     51.83590       5.855487  45.88797       6.018086      0.4299420      0.6050266 
1 1 1 -18 4  6  o 31.23403  1.213517      1010.661       106.7986  1027.379       106.7832      -0.2686496     2.427035  
1 1 1 -18 4  7  o 23.21375  0.8941991     553.4172       58.49683  550.1087       58.48260      0.7134189E-01  1.788398  
1 1 1 -18 4  8  o 13.92706  0.5416999     189.8997       21.23028  201.7169       21.26907      -0.4254715     1.083400  
1 1 1 -18 4  9  o 4.954112  0.2996767     26.87974       4.131298  22.47282       4.166467      0.4499950      0.5993533 
1 1 1 -18 4  10 o 10.62692  0.4249998     117.2816       12.72752  110.0900       12.70851      0.3395010      0.8499996 
1 1 1 -18 4  11 o 14.96881  0.5783513     237.4274       24.39875  215.3336       24.35363      0.7405576      1.156703  
1 1 1 -18 4  12 o 18.84704  0.7298640     363.7345       38.76738  360.2347       38.74920      0.9296305E-01  1.459728  
1 1 1 -18 4  13 o 23.74681  3.151309      674.5853       145.9761  ?              ?             ?              ?         
1 1 1 -18 4  14 o 2.343357  0.5726805     10.71972       5.583830  -17.74083      8.435535      1.636263       1.145361  
1 1 1 -18 4  15 o 12.41036  0.7486452     146.2006       25.59411  174.1165       26.34588      -1.120349      1.497290  
1 1 1 -18 4  16 o 10.17359  1.070030      119.5342       29.10903  110.1232       30.61411      0.5339395      2.140060  
1 1 1 -18 4  17 o 5.797812  0.8046469     38.06015       11.90013  36.18943       13.85221      0.2489072      1.609294  
1 1 1 -18 4  18 o 9.364174  0.7433431     80.10680       18.27679  114.4936       20.11521      -1.769688      1.486686  
1 1 1 -18 4  19 o 9.545316  0.8162528     93.66279       20.48816  122.3884       22.52169      -1.362084      1.632506  
1 1 1 -18 4  20 o 5.195978  1.075267      37.22042       15.55555  47.08462       18.28027      -0.4825128     2.150533  
1 1 1 -18 4  21 o 3.066137  0.9707016     13.42409       15.74002  15.19271       19.27521      -0.8435815E-01 1.941403  
1 1 1 -18 4  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 6  1  o 12.14815  0.4565522     148.4353       15.59924  149.3295       15.66254      -0.3647430E-01 0.9131045 
1 1 1 -18 6  2  o 7.519693  0.3082388     51.52910       6.469182  62.12633       6.556845      -0.7076282     0.6164775 
1 1 1 -18 6  3  o 17.48720  0.6609626     305.7126       32.59176  315.3458       32.54877      -0.2766371     1.321925  
1 1 1 -18 6  4  o 8.173000  0.3574986     66.06718       8.743034  68.26379       7.785618      -0.1423812     0.7149973 
1 1 1 -18 6  5  o 20.87490  0.8057771     429.3778       47.33723  460.0104       47.41554      -0.7355814     1.611554  
1 1 1 -18 6  6  o 6.597286  0.2933868     44.95935       5.440547  42.58152       5.450257      0.1810857      0.5867736 
1 1 1 -18 6  7  o 30.07658  1.170686      919.1287       99.19400  955.2898       99.18800      -0.6031898     2.341373  
1 1 1 -18 6  8  o 13.91495  0.5395272     196.7336       21.15142  194.2392       21.15412      0.8992609E-01  1.079054  
1 1 1 -18 6  9  o 23.95563  0.9227315     558.9813       62.19948  612.8517       62.29066      -1.127908      1.845463  
1 1 1 -18 6  10 o 14.01720  0.5466861     203.6532       21.58365  193.1313       21.58629      0.3766295      1.093372  
1 1 1 -18 6  11 o 6.055163  0.3361473     38.11669       5.704638  35.83899       5.713017      0.1894655      0.6722946 
1 1 1 -18 6  12 o 13.09362  0.5175990     177.8172       19.07066  169.0625       19.10594      0.3357809      1.035198  
1 1 1 -18 6  13 o 15.83665  0.6160406     254.4967       27.45642  256.5567       27.51907      -0.6455806E-01 1.232081  
1 1 1 -18 6  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 6  15 o 6.894032  0.4498020     47.52380       8.503499  49.71603       8.847262      -0.1541456     0.8996040 
1 1 1 -18 6  16 o 9.936002  0.4807596     94.10391       13.34825  108.3424       13.47124      -0.7185904     0.9615192 
1 1 1 -18 6  17 o 5.219944  0.6297128     25.88883       8.621253  32.90113       9.265340      -0.6581607     1.259426  
1 1 1 -18 6  18 o 7.558557  0.5390226     64.75536       11.18658  56.84453       11.51228      0.5459653      1.078045  
1 1 1 -18 6  19 o 7.507589  0.5993968     53.36308       12.12210  72.18037       12.69716      -1.235894      1.198794  
1 1 1 -18 6  20 o 2.754465  0.8232468     12.00330       11.11967  1.440769       11.69818      0.6015987      1.646494  
1 1 1 -18 6  21 o 2.528636  0.7852466     18.72402       12.58209  -11.69895      13.12671      1.280047       1.570493  
1 1 1 -18 6  22 o 2.477560  0.8262355     7.124479       14.64700  11.30398       15.49537      -0.1398954     1.652471  
1 1 1 -18 8  1  o 8.989627  0.3490393     80.75704       8.770169  81.94006       8.912766      -0.6504314E-01 0.6980785 
1 1 1 -18 8  2  o 6.986515  0.2945903     53.79636       5.861501  44.35449       5.702479      0.6780344      0.5891805 
1 1 1 -18 8  3  o 12.38143  0.4753900     155.5621       16.64664  153.8793       16.52502      0.6731802E-01  0.9507801 
1 1 1 -18 8  4  o 9.858638  0.3864712     94.77348       10.68308  100.9135       10.77891      -0.3118504     0.7729424 
1 1 1 -18 8  5  o 10.73108  0.4245763     111.3742       12.72664  120.6180       12.93283      -0.4309129     0.8491527 
1 1 1 -18 8  6  o 24.23652  0.9178361     584.1678       62.65461  616.9521       62.69087      -0.6782274     1.835672  
1 1 1 -18 8  7  o 14.91567  0.5735044     222.3484       24.09349  227.1983       24.11213      -0.1629519     1.147009  
1 1 1 -18 8  8  o 32.29812  1.254515      1079.078       114.1443  1087.097       114.1809      -0.1241253     2.509029  
1 1 1 -18 8  9  o 14.37882  0.5571724     209.6239       22.55435  208.1585       22.59198      0.5136441E-01  1.114345  
1 1 1 -18 8  10 o 18.62024  0.7188124     358.8719       37.70485  346.0721       37.71245      0.3448722      1.437625  
1 1 1 -18 8  11 o 15.15366  0.5908201     243.9868       25.20696  221.2628       25.20774      0.7527945      1.181640  
1 1 1 -18 8  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 8  13 o 19.49847  0.7671185     400.8114       42.11784  383.3524       42.14588      0.4496456      1.534237  
1 1 1 -18 8  14 o 6.036819  0.4506421     38.10696       7.411120  36.38212       7.752934      0.1513306      0.9012843 
1 1 1 -18 8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 8  16 o 5.712932  0.5585794     35.19484       8.546796  33.48371       9.037277      0.1709502      1.117159  
1 1 1 -18 8  17 o 7.134542  0.5385278     57.49487       10.45501  49.75365       10.91051      0.5702374      1.077056  
1 1 1 -18 8  18 o 2.973948  0.7378588     18.21579       9.108603  -4.720485      9.656484      1.777021       1.475718  
1 1 1 -18 8  19 o 5.348541  0.7867266     32.26506       11.10415  39.21653       11.92529      -0.5620580     1.573453  
1 1 1 -18 8  20 o 4.547613  0.9260227     34.31658       12.25232  28.64174       13.25414      0.6396114      1.852045  
1 1 1 -18 8  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 10 1  o 32.05080  1.183051      1025.242       106.7610  1106.520       106.8900      -1.270744      2.366102  
1 1 1 -18 10 2  o 22.98509  0.8600979     568.7841       55.71134  509.0912       55.62587      1.302789       1.720196  
1 1 1 -18 10 3  o 7.370972  0.3141989     56.64314       6.717368  52.78691       6.332789      0.2598122      0.6283977 
1 1 1 -18 10 4  o 11.74283  0.4486361     129.5892       14.77566  147.9808       14.88037      -0.7857057     0.8972722 
1 1 1 -18 10 5  o 18.55852  0.7260141     357.7044       37.92064  341.2037       37.98606      0.4465602      1.452028  
1 1 1 -18 10 6  o 5.652109  0.3121317     38.11753       4.724550  26.08584       5.039816      1.081226       0.6242635 
1 1 1 -18 10 7  o 7.560972  0.3337333     57.63580       7.053106  57.43087       7.150871      0.1428022E-01  0.6674666 
1 1 1 -18 10 8  o 16.23577  0.6144015     265.2686       28.09552  268.2966       28.12695      -0.9330429E-01 1.228803  
1 1 1 -18 10 9  o 13.65311  0.5335704     192.9052       20.49075  183.7959       20.55013      0.3351776      1.067141  
1 1 1 -18 10 10 o 21.50762  0.8230013     465.4539       49.82855  482.4706       49.91697      -0.3958862     1.646003  
1 1 1 -18 10 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 10 12 f 6.963449  0.4001908     50.84381       7.749795  47.36511       7.872300      0.2533033      0.8003815 
1 1 1 -18 10 13 o 7.931651  0.4234372     65.23782       9.277367  62.50509       9.585011      0.1776722      0.8468744 
1 1 1 -18 10 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 10 15 o 2.599058  0.7065364     7.910653       7.198565  1.042760       7.972516      0.5384738      1.413073  
1 1 1 -18 10 16 o 5.177145  0.6411144     35.97138       8.689706  20.91268       9.481627      1.527253       1.282229  
1 1 1 -18 10 17 o 6.228020  0.6083174     47.88983       10.02619  35.71352       10.71576      1.049992       1.216635  
1 1 1 -18 10 18 o 2.750131  0.7962569     10.25405       9.829204  0.9349939      10.59732      0.5850480      1.592514  
1 1 1 -18 10 19 o 4.881941  0.7828850     48.88958       11.61471  13.85291       12.42143      3.133634       1.565770  
1 1 1 -18 10 20 o 2.778436  0.8576279     4.216398       12.52348  17.16177       13.59175      -0.6715831     1.715256  
1 1 1 -18 10 21 o 2.468300  0.8398408     13.63155       16.31202  -1.720944      19.23302      0.3382516      1.679682  
1 1 1 -18 12 1  o 29.42029  1.101679      892.5434       91.31109  890.7784       91.38339      0.3078801E-01  2.203358  
1 1 1 -18 12 2  o 8.672226  0.3549186     80.65836       8.809966  70.65177       8.511148      0.5774333      0.7098373 
1 1 1 -18 12 3  o 33.83117  1.281807      1155.652       122.1259  1222.684       122.2179      -0.9929477     2.563614  
1 1 1 -18 12 4  o 16.43950  0.6100238     281.1292       28.25661  265.0873       28.25805      0.4894747      1.220048  
1 1 1 -18 12 5  o 27.07092  1.127239      773.1689       80.37164  734.5107       92.75547      0.8472108      2.254477  
1 1 1 -18 12 6  o 37.18677  1.459714      1448.996       152.9532  1468.389       152.9012      -0.2622823     2.919428  
1 1 1 -18 12 7  o 10.05822  0.3962213     110.8031       11.18514  92.66263       11.22117      0.9065700      0.7924426 
1 1 1 -18 12 8  f 8.954959  0.3843558     79.95150       9.642323  81.73169       9.735989      -0.9906585E-01 0.7687116 
1 1 1 -18 12 9  o 4.685154  0.4051439     25.14319       5.131294  19.17140       5.322229      0.6570556      0.8102879 
1 1 1 -18 12 10 o 13.54551  0.7786089     186.6212       29.48640  191.7369       29.65629      -0.1877003     1.557218  
1 1 1 -18 12 11 o 3.473920  0.5914827     9.135803       5.616641  16.13155       6.027855      -0.9456259     1.182965  
1 1 1 -18 12 12 o 2.325081  0.6452894     2.483912       6.092741  4.257871       6.335999      -0.2077139     1.290579  
1 1 1 -18 12 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 12 14 o 7.691710  0.4783462     59.57870       10.00524  62.58508       10.61909      -0.1823464     0.9566925 
1 1 1 -18 12 15 o 5.466169  0.6058297     31.89976       8.704082  32.36950       9.465471      -0.9127965E-02 1.211659  
1 1 1 -18 12 16 o 3.509264  0.8120649     13.24694       8.716923  14.90337       9.937801      -0.1818500     1.624130  
1 1 1 -18 12 17 o 2.794093  0.8029453     3.592078       9.491364  9.810129       10.64925      -0.5263957     1.605891  
1 1 1 -18 12 18 o 3.563589  0.8507717     6.602845       10.59318  27.84504       11.84377      -1.754848      1.701543  
1 1 1 -18 12 19 o 2.546623  0.8086960     9.807957       11.88844  -2.036121      13.17422      0.4763952      1.617392  
1 1 1 -18 12 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 14 1  o 36.79657  1.567218      1496.997       175.2745  1391.935       151.7755      1.095441       3.134436  
1 1 1 -18 14 2  o 14.71892  0.5656282     236.0067       23.52063  201.4182       23.32047      1.178816       1.131256  
1 1 1 -18 14 3  o 13.14639  0.5341782     167.1704       19.87219  181.6401       19.66674      -0.5541176     1.068356  
1 1 1 -18 14 4  o 7.371043  0.3400200     59.08593       7.143676  50.28596       6.934409      0.5986632      0.6800399 
1 1 1 -18 14 5  o 22.96795  0.8873662     562.5035       57.43037  518.2209       57.36245      0.9669110      1.774732  
1 1 1 -18 14 6  o 11.86544  0.4908984     152.6256       16.23214  131.3132       16.52606      0.9053807      0.9817969 
1 1 1 -18 14 7  o 12.39348  0.4956512     169.2126       17.16151  140.9466       17.36586      1.148259       0.9913023 
1 1 1 -18 14 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 14 9  o 17.16685  0.6685108     317.2456       32.29158  285.1842       32.32367      0.9380882      1.337022  
1 1 1 -18 14 10 o 10.47608  0.8151853     135.9248       16.99838  85.95959       29.58447      2.762083       1.630371  
1 1 1 -18 14 11 o 14.93171  0.5931913     253.2021       24.83012  203.8940       24.90007      1.661225       1.186383  
1 1 1 -18 14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 14 13 o 7.263744  0.4870070     57.09631       9.647237  51.68046       10.12151      0.3897497      0.9740139 
1 1 1 -18 14 14 o 2.584511  0.7140866     -4.452740      8.081206  11.87038       9.127280      -1.362551      1.428173  
1 1 1 -18 14 15 o 5.903767  0.6235579     36.30567       9.535629  40.56709       10.73894      -0.2979557     1.247116  
1 1 1 -18 14 16 o 7.729603  0.5772301     61.21496       11.80777  71.06741       13.09390      -0.5603754     1.154460  
1 1 1 -18 14 17 o 2.868825  0.8250813     13.74799       10.47990  1.070308       11.82009      0.7603877      1.650163  
1 1 1 -18 14 18 o 3.387975  0.9196116     14.00415       11.73619  23.46721       13.32299      -0.6327105     1.839223  
1 1 1 -18 14 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 16 1  o 23.25909  0.9089706     589.4011       59.53331  522.5527       59.47398      1.442563       1.817941  
1 1 1 -18 16 2  f 6.861449  0.3676994     50.21509       7.220979  44.89658       6.936891      0.3872066      0.7353988 
1 1 1 -18 16 3  o 8.797775  0.4168945     81.51489       10.68294  75.10866       9.967320      0.3592036      0.8337890 
1 1 1 -18 16 4  o 21.07508  0.7931976     490.4744       47.09091  419.2015       46.97256      1.697011       1.586395  
1 1 1 -18 16 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 16 6  o 10.09315  0.4654154     101.7048       12.31685  105.2733       14.33744      -0.1562960     0.9308307 
1 1 1 -18 16 7  o 28.05209  1.113595      861.3425       87.98405  809.6500       87.95623      0.9242086      2.227189  
1 1 1 -18 16 8  o 7.149460  0.4568408     59.99150       8.250956  42.76445       9.867398      1.255594       0.9136816 
1 1 1 -18 16 9  f 6.061896  0.4553934     40.22592       7.509884  34.59169       7.844789      0.4790877      0.9107868 
1 1 1 -18 16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 16 11 o 6.822155  0.4822639     47.88828       8.882366  48.22546       9.512138      -0.9528366E-02 0.9645277 
1 1 1 -18 16 12 o 7.476858  0.5091132     71.44837       10.01715  44.47955       10.71589      1.860508       1.018226  
1 1 1 -18 16 13 o 2.621233  0.7140793     11.72953       8.244946  -5.908997      9.128764      1.237969       1.428159  
1 1 1 -18 16 14 o 8.976918  0.5381424     100.4691       13.09498  71.25734       13.64950      1.676789       1.076285  
1 1 1 -18 16 15 o 3.023537  0.7828702     17.10570       9.316503  -1.703626      10.91613      1.344364       1.565740  
1 1 1 -18 16 16 o 5.941969  0.7508890     48.58029       11.50415  37.85155       13.10724      1.118882       1.501778  
1 1 1 -18 16 17 o 2.698610  0.8254802     -1.097907      11.22046  18.36079       13.67357      -1.095771      1.650960  
1 1 1 -18 16 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 18 1  o 9.221018  0.4266596     93.06181       10.89882  78.53247       11.19414      0.7965865      0.8533193 
1 1 1 -18 18 2  o 9.857875  0.4908097     106.2494       14.93781  92.53657       12.48939      0.6683024      0.9816194 
1 1 1 -18 18 3  o 7.313471  0.4467550     55.87309       8.984144  52.74654       9.320299      0.2203269      0.8935099 
1 1 1 -18 18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 18 5  f 16.15852  0.6477288     295.7534       29.45645  239.8183       29.32343      1.738093       1.295458  
1 1 1 -18 18 6  o 1.752630  0.5541439     1.997218       6.407070  -11.97258      6.498720      0.8008479      1.108288  
1 1 1 -18 18 7  o 2.116253  0.6087153     -10.00967      6.539474  8.034628       7.706120      -1.447691      1.217431  
1 1 1 -18 18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 18 9  o 14.40145  0.5850944     217.2833       23.61893  212.9914       23.84572      0.1547106      1.170189  
1 1 1 -18 18 10 o 6.056344  0.5708571     25.82343       8.907457  52.04035       9.491082      -2.208479      1.141714  
1 1 1 -18 18 11 o 3.538561  0.7589906     17.86512       8.231278  8.511960       9.134174      0.9662899      1.517981  
1 1 1 -18 18 12 o 2.443577  0.7392229     -0.1229371     8.471713  3.732439       9.875299      -0.4045151     1.478446  
1 1 1 -18 18 13 f 6.023358  0.6592761     39.92054       10.19624  42.41433       11.70404      -0.1003001     1.318552  
1 1 1 -18 18 14 o 6.191202  0.7089396     56.81308       11.35735  32.54280       12.35458      2.117002       1.417879  
1 1 1 -18 18 15 o 5.682894  0.7939789     43.22132       11.63598  40.73213       13.24120      0.4398787      1.587958  
1 1 1 -18 18 16 o 2.839261  0.8688932     8.989423       11.70723  13.21256       14.12455      -0.2547550     1.737786  
1 1 1 -18 18 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 20 1  o 2.683120  0.6881441     6.520951       6.373628  5.956251       7.151690      -0.1079425E-01 1.376288  
1 1 1 -18 20 2  o 2.719247  1.278294      ?              ?         -16.45498      17.77107      ?              ?         
1 1 1 -18 20 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 20 5  o 5.934933  0.5099584     37.44361       8.256808  35.53448       8.512318      0.1706085      1.019917  
1 1 1 -18 20 6  o 7.635441  0.4726634     61.08241       10.11790  59.01437       10.08935      0.1358753      0.9453268 
1 1 1 -18 20 7  o 14.80464  0.6066540     253.4596       25.21469  204.7909       25.19970      1.652637       1.213308  
1 1 1 -18 20 8  o 4.157667  0.7275345     22.15250       8.217747  15.25990       9.252980      0.7838196      1.455069  
1 1 1 -18 20 9  o 3.308591  0.7969038     10.42805       8.059680  13.51017       10.00491      -0.3728555     1.593808  
1 1 1 -18 20 10 f 4.605408  0.7286165     18.87311       8.525124  30.04728       10.07661      -1.099650      1.457233  
1 1 1 -18 20 11 o 4.826842  0.7648650     25.16184       9.612739  30.28548       10.81149      -0.4337816     1.529730  
1 1 1 -18 20 12 o 1.962805  0.6596606     -2.726744      9.610756  -18.92453      11.18381      0.3850273      1.319321  
1 1 1 -18 20 13 o 7.893625  0.6436148     72.34231       13.32113  75.31981       15.05018      -0.1117371E-01 1.287230  
1 1 1 -18 20 14 o 3.257534  0.9065623     13.82173       11.41963  19.12090       13.22994      -0.3369206     1.813125  
1 1 1 -18 20 15 o 2.746581  0.8518007     16.08613       12.29073  3.464583       14.35575      0.5771345      1.703601  
1 1 1 -18 22 1  o 7.827526  0.4920421     71.66630       10.31322  54.36919       11.11913      1.145045       0.9840842 
1 1 1 -18 22 2  f 2.907220  0.7144809     15.69559       8.465963  -2.825591      8.397700      1.637768       1.428962  
1 1 1 -18 22 3  o 5.339128  0.6680028     31.71972       10.48614  30.41001       9.109035      0.6186827E-01  1.336006  
1 1 1 -18 22 4  f 2.333688  0.7112550     -1.996605      8.914640  2.219451       8.291688      -0.1997161     1.422510  
1 1 1 -18 22 5  o 5.608379  0.6571627     47.09170       10.46283  21.94591       9.336940      2.246216       1.314325  
1 1 1 -18 22 6  o 2.316746  0.7084401     -7.777723      9.737665  5.008849       8.436283      -0.6061847     1.416880  
1 1 1 -18 22 7  o 2.872335  0.7795902     4.891063       8.798946  10.09487       9.190280      -0.4722052     1.559180  
1 1 1 -18 22 8  o 7.013842  0.6297233     65.10385       11.07754  41.80283       12.80739      1.830933       1.259447  
1 1 1 -18 22 9  o 2.041451  0.6785570     -3.309896      9.171312  -13.87831      11.39218      0.1505251      1.357114  
1 1 1 -18 22 10 o 5.334003  0.7535982     22.16827       9.625278  49.09374       12.51024      -2.234591      1.507196  
1 1 1 -18 22 11 o 2.301845  0.7469720     -5.284115      10.39888  3.108276       12.07971      -0.5098025     1.493944  
1 1 1 -18 22 12 o 6.249194  0.7993734     51.90033       12.78087  54.21648       14.67530      0.1212745      1.598747  
1 1 1 -18 22 13 o 2.172629  0.7385014     -9.017819      11.68260  2.516993       15.24854      -0.5500338     1.477003  
1 1 1 -18 22 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 24 1  o 5.210219  0.7132126     27.36634       9.852983  34.49274       10.38603      -0.6566712     1.426425  
1 1 1 -18 24 2  o 9.344995  0.5421349     91.57437       13.85774  96.38853       14.56970      -0.2237270     1.084270  
1 1 1 -18 24 3  o 4.127805  0.8399470     18.72903       10.81299  22.39543       10.04445      -0.3964691     1.679894  
1 1 1 -18 24 4  o 3.169321  0.8456841     3.258203       12.87160  14.46108       9.583202      -0.6629558     1.691368  
1 1 1 -18 24 5  o 6.517606  0.6477828     60.12428       11.49867  35.54190       11.21994      1.925765       1.295566  
1 1 1 -18 24 6  o 3.776617  0.7168368     33.51616       10.28824  -2.918681      10.25345      3.077038       1.433674  
1 1 1 -18 24 7  o 2.486073  0.7639704     7.483768       10.14708  -3.081720      10.57430      0.5674188      1.527941  
1 1 1 -18 24 8  o 4.278548  0.8294243     34.51738       11.04692  14.29477       11.49324      1.909001       1.658849  
1 1 1 -18 24 9  o 3.877887  0.9105373     29.58335       11.55980  14.35211       14.49459      1.337234       1.821075  
1 1 1 -18 24 10 o 2.360089  0.7717280     -7.410048      11.31693  11.66782       14.50157      -0.9088658     1.543456  
1 1 1 -18 24 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 24 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 26 1  o 2.564868  0.7758170     10.52471       10.21200  -3.334033      11.09102      0.7404996      1.551634  
1 1 1 -18 26 2  f 2.218249  0.7465439     -4.855302      13.98723  -9.037077      11.79315      0.3159492      1.493088  
1 1 1 -18 26 3  o 4.852157  0.9242141     40.99726       14.03475  28.14692       12.09988      0.9332593      1.848428  
1 1 1 -18 26 4  o 2.939878  0.8196884     24.75980       12.86919  -4.387978      11.09411      1.820650       1.639377  
1 1 1 -18 26 5  o 3.033575  0.8696967     14.79802       11.71024  10.75065       11.63366      0.2735965      1.739393  
1 1 1 -18 26 6  o 2.498328  0.7989396     8.980563       12.10103  -1.812030      12.60952      0.4571253      1.597879  
1 1 1 -18 26 7  o 2.923433  0.8477520     0.9304142      12.55201  24.48586       12.71810      -1.339448      1.695504  
1 1 1 -18 26 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 26 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 28 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 28 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 28 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -18 28 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 1  1  o 13.89620  0.7490576     218.2510       29.14266  173.3653       29.07302      1.629567       1.498115  
1 1 1 -17 1  2  o 6.638651  0.3974913     46.67113       7.560524  42.43658       7.224795      0.3181159      0.7949826 
1 1 1 -17 1  3  o 10.06102  0.5698539     105.9148       16.02946  99.14478       16.11875      0.3397051      1.139708  
1 1 1 -17 1  4  o 5.974970  0.3787208     38.09455       6.163235  33.79133       6.499422      0.3681133      0.7574416 
1 1 1 -17 1  5  o 27.70808  1.600141      883.3332       124.2036  767.0526       123.9818      2.113548       3.200283  
1 1 1 -17 1  6  o 7.993476  0.4614348     68.22549       10.33418  60.96114       10.32702      0.4581214      0.9228697 
1 1 1 -17 1  7  o 12.16276  0.6807737     152.9952       23.21258  148.6149       23.24057      0.1815609      1.361547  
1 1 1 -17 1  8  o 6.445800  0.4136375     37.05115       7.441261  46.72278       7.416181      -0.7602771     0.8272751 
1 1 1 -17 1  9  o 1.610100  0.4493490     -3.328782      3.761999  3.558826       3.173746      -0.6652387     0.8986980 
1 1 1 -17 1  10 o 29.79380  1.169451      908.6316       98.14732  926.5839       98.16976      -0.3020078     2.338902  
1 1 1 -17 1  11 o 32.30189  1.275548      1072.733       116.0568  1097.605       116.0817      -0.3859632     2.551096  
1 1 1 -17 1  12 o 9.642078  0.4003176     89.95123       10.83978  97.26177       10.88826      -0.3803224     0.8006353 
1 1 1 -17 1  13 o 27.20176  1.067832      766.5778       81.83201  771.6859       81.83636      -0.9413112E-01 2.135664  
1 1 1 -17 1  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 1  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 1  16 o 8.097187  0.4331526     71.96828       9.888150  61.35076       9.768033      0.6588976      0.8663053 
1 1 1 -17 1  17 o 6.685544  0.4790261     50.55247       8.899220  41.31473       8.904802      0.7014627      0.9580523 
1 1 1 -17 1  18 o 2.364536  0.6795973     8.649223       8.037329  -6.598104      8.116512      1.090160       1.359195  
1 1 1 -17 1  19 o 3.024824  0.7968905     8.047322       8.997353  10.36655       9.295980      -0.2234033     1.593781  
1 1 1 -17 1  20 o 2.854478  0.8161013     5.735113       10.15676  9.583967       10.34766      -0.2895553     1.632203  
1 1 1 -17 1  21 o 2.136999  0.7142163     -6.015731      11.37584  -4.707587      11.37080      -0.4705099E-01 1.428433  
1 1 1 -17 1  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 3  1  o 26.01521  1.007772      701.6688       73.86877  686.3380       73.86530      0.2955394      2.015543  
1 1 1 -17 3  2  o 23.55095  0.8844459     561.4127       58.69618  571.0536       58.70749      -0.2051813     1.768892  
1 1 1 -17 3  3  o 3.026342  0.2919872     10.92755       2.455396  7.630940       2.368420      0.5575680      0.5839744 
1 1 1 -17 3  4  o 11.33321  0.4789930     133.1044       16.48027  127.0116       14.30847      0.2535058      0.9579860 
1 1 1 -17 3  5  o 9.336400  0.3645795     81.64720       9.549400  93.65863       9.606715      -0.6456875     0.7291589 
1 1 1 -17 3  6  o 7.517582  0.3075226     57.95654       6.509199  55.73135       6.510768      0.1485444      0.6150452 
1 1 1 -17 3  7  o 9.000869  0.3575626     80.60146       9.056568  82.51531       9.075138      -0.1065381     0.7151251 
1 1 1 -17 3  8  o 23.68976  0.9231473     569.6998       61.59908  580.8887       61.62836      -0.2366121     1.846295  
1 1 1 -17 3  9  o 21.35600  0.9647803     465.5949       50.19159  472.5669       71.03009      0.4584225E-01  1.929561  
1 1 1 -17 3  10 o 10.83301  0.6123666     116.6196       18.54370  121.4883       18.66444      -0.2252020     1.224733  
1 1 1 -17 3  11 o 11.90066  0.6724075     142.3235       22.36674  145.6859       22.52177      -0.1408123     1.344815  
1 1 1 -17 3  12 o 8.074990  0.5091751     63.28618       11.26714  69.10647       11.74479      -0.3583573     1.018350  
1 1 1 -17 3  13 o 5.913538  0.5091918     29.88460       7.942255  41.57537       8.627345      -0.9971864     1.018384  
1 1 1 -17 3  14 o 10.30861  0.6298218     101.3172       17.90822  116.0628       18.40994      -0.7147620     1.259644  
1 1 1 -17 3  15 o 12.89597  0.9010977     172.0491       27.93026  181.6423       40.18620      -0.9865033E-01 1.802195  
1 1 1 -17 3  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 3  17 o 8.943899  0.6886320     94.18961       16.43747  73.50745       17.68571      1.222588       1.377264  
1 1 1 -17 3  18 o 3.457534  0.8888813     6.698443       10.38402  18.80382       12.90971      -1.095897      1.777763  
1 1 1 -17 3  19 o 3.801323  0.8762723     15.33977       12.33303  18.44716       9.920575      -0.2849214     1.752545  
1 1 1 -17 3  20 o 4.663558  0.8310225     24.89748       10.99372  30.56757       11.00556      -0.5622907     1.662045  
1 1 1 -17 3  21 o 2.658874  0.8171396     0.6350975      11.51283  12.14803       12.05379      -0.6456313     1.634279  
1 1 1 -17 3  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 5  1  o 16.14625  0.5977773     253.0022       27.15625  274.1760       27.22563      -0.6574301     1.195555  
1 1 1 -17 5  2  o 22.75232  0.9281241     527.2563       64.23204  534.1166       55.63315      -0.2386192     1.856248  
1 1 1 -17 5  3  o 3.593870  0.2574406     13.65450       2.712195  12.55597       2.463581      0.1500221      0.5148812 
1 1 1 -17 5  4  o 13.53022  0.5159379     174.7984       19.60308  194.8066       19.70723      -0.7415034     1.031876  
1 1 1 -17 5  5  o 13.13576  0.5097462     166.0923       18.81317  182.3406       18.89480      -0.6202384     1.019492  
1 1 1 -17 5  6  f 10.17530  0.3972871     109.0241       11.39028  99.40739       11.37437      0.4742915      0.7945742 
1 1 1 -17 5  7  o 20.30490  0.7787264     410.7988       44.54070  429.3768       44.55439      -0.4588377     1.557453  
1 1 1 -17 5  8  o 20.13246  0.7701243     410.8369       43.67952  413.9323       43.70007      -0.7693829E-01 1.540249  
1 1 1 -17 5  9  o 21.10476  0.8186387     465.2226       48.67368  441.4348       48.66246      0.5653858      1.637277  
1 1 1 -17 5  10 o 15.51517  0.5994578     244.7865       26.20584  241.9640       26.20614      0.9123958E-01  1.198916  
1 1 1 -17 5  11 o 26.07872  1.011061      687.0816       74.27177  711.1375       74.29553      -0.4624617     2.022122  
1 1 1 -17 5  12 o 14.47763  0.5637670     215.3636       22.98054  208.9249       23.00845      0.2233000      1.127534  
1 1 1 -17 5  13 o 8.231612  0.3805803     72.86237       8.773289  63.64753       8.828609      0.5636503      0.7611607 
1 1 1 -17 5  14 o 9.143158  0.4141744     92.47643       10.61584  76.33792       10.63896      0.8885848      0.8283489 
1 1 1 -17 5  15 o 8.468431  0.4247084     78.89693       10.05992  66.38793       10.11082      0.7448971      0.8494167 
1 1 1 -17 5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 5  17 o 5.996001  0.5341076     42.77933       8.711965  31.81058       8.869647      0.9441880      1.068215  
1 1 1 -17 5  18 o 3.286836  0.7499774     17.51661       8.398687  4.169677       8.900510      1.299743       1.499955  
1 1 1 -17 5  19 o 5.784374  0.7912024     36.97371       10.57741  45.48222       16.26022      -0.2620274     1.582405  
1 1 1 -17 5  20 o 2.365586  0.7948618     -2.850251      13.35744  -17.36944      16.29236      0.2021298      1.589724  
1 1 1 -17 5  21 o 4.133192  1.067878      40.43767       16.12732  24.65018       18.89416      1.197764       2.135757  
1 1 1 -17 5  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 7  1  o 13.42365  0.4985140     179.2553       18.82774  184.6597       18.89153      -0.2014301     0.9970281 
1 1 1 -17 7  2  o 24.33744  0.9725015     659.0330       62.00684  553.5679       71.47582      2.291196       1.945003  
1 1 1 -17 7  3  o 14.18857  0.5465515     200.2692       21.86706  206.9777       21.83047      -0.2374344     1.093103  
1 1 1 -17 7  4  o 12.93028  0.5025581     167.2713       18.25646  170.5963       18.36066      -0.1282004     1.005116  
1 1 1 -17 7  5  o 13.97874  0.5400222     184.6765       21.20074  210.0108       21.29163      -0.9093392     1.080044  
1 1 1 -17 7  6  o 30.85414  1.204255      984.8018       104.7025  998.2663       104.6654      -0.2193364     2.408509  
1 1 1 -17 7  7  o 3.073093  0.3399819     9.729887       2.789341  9.658902       2.933266      0.1592188E-01  0.6799638 
1 1 1 -17 7  8  o 11.91018  0.4637220     145.9023       15.54884  139.9654       15.56854      0.2501814      0.9274440 
1 1 1 -17 7  9  o 4.105079  0.3335203     22.04671       3.624559  12.14545       3.722529      1.240150       0.6670405 
1 1 1 -17 7  10 o 7.325892  0.3306538     57.20737       6.809011  50.66600       6.807608      0.4489101      0.6613076 
1 1 1 -17 7  11 o 13.82984  0.5385612     200.5529       20.97528  185.8469       20.97613      0.5336524      1.077122  
1 1 1 -17 7  12 o 19.16907  0.7389050     368.7998       39.88348  381.4754       39.92912      -0.3312066     1.477810  
1 1 1 -17 7  13 f 8.876460  0.4286678     82.92381       9.980933  75.50208       11.57121      0.4383067      0.8573356 
1 1 1 -17 7  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 7  15 o 7.277853  0.4344291     51.90893       8.691240  56.17610       9.025654      -0.2897889     0.8688582 
1 1 1 -17 7  16 o 4.003490  0.6700640     15.30740       7.239555  19.37985       7.719429      -0.4776977     1.340128  
1 1 1 -17 7  17 o 4.683025  0.6625963     18.46767       8.197927  29.08691       8.767158      -1.118134      1.325193  
1 1 1 -17 7  18 o 6.854455  0.5711972     60.23473       10.49488  39.99845       10.86045      1.534700       1.142394  
1 1 1 -17 7  19 o 2.319191  0.7314565     -5.859241      9.715614  4.238850       10.39480      -0.6024429     1.462913  
1 1 1 -17 7  20 o 4.112613  0.8991336     22.35215       11.20140  26.23725       11.87247      -0.3117690     1.798267  
1 1 1 -17 7  21 o 4.003288  0.8170431     45.15674       12.64442  2.893202       13.23686      3.107579       1.634086  
1 1 1 -17 7  22 o 2.409857  0.8057908     6.388619       14.01413  7.473052       15.02159      -0.4936515E-01 1.611582  
1 1 1 -17 9  1  o 14.91460  0.5651301     229.6126       23.74222  220.5184       23.75638      0.3059374      1.130260  
1 1 1 -17 9  2  o 10.76880  0.4107002     119.1559       12.51857  114.5400       12.40479      0.2142163      0.8214004 
1 1 1 -17 9  3  o 20.36591  0.7751544     433.7288       44.49358  411.6810       44.45892      0.5427461      1.550309  
1 1 1 -17 9  4  o 11.51288  0.4457935     125.9798       14.40767  141.0134       14.48878      -0.6549957     0.8915870 
1 1 1 -17 9  5  o 16.47997  0.6385867     273.1042       29.61625  277.2525       29.68708      -0.1257224     1.277173  
1 1 1 -17 9  6  o 19.21863  0.6957081     374.5655       37.70152  374.5417       37.68204      0.4798280E-03  1.391416  
1 1 1 -17 9  7  o 19.54375  0.7926152     385.6082       47.11973  390.8522       40.81377      -0.1847114     1.585230  
1 1 1 -17 9  8  o 15.41936  0.5890841     241.0974       25.58296  239.4988       25.60887      0.5215912E-01  1.178168  
1 1 1 -17 9  9  o 7.119577  0.3293981     54.86571       6.559772  46.95533       6.611873      0.5595261      0.6587961 
1 1 1 -17 9  10 o 8.404346  0.3631413     77.04049       8.575963  64.98482       8.572411      0.7213284      0.7262825 
1 1 1 -17 9  11 o 6.443583  0.3460956     43.41172       6.235275  40.32824       6.279716      0.2413367      0.6921912 
1 1 1 -17 9  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 9  13 o 14.17581  0.5528841     211.4381       22.04342  197.3833       22.10379      0.4982566      1.105768  
1 1 1 -17 9  14 o 2.969105  0.6538993     11.11969       6.007518  6.277709       6.475129      0.5794193      1.307799  
1 1 1 -17 9  15 o 5.491877  1.091864      ?              ?         32.65589       11.57033      ?              ?         
1 1 1 -17 9  16 f 3.964238  0.6898968     21.50762       7.630916  11.62865       8.361784      1.138239       1.379794  
1 1 1 -17 9  17 o 5.947080  0.5766208     41.05382       9.216164  34.18770       9.625685      0.6123875      1.153242  
1 1 1 -17 9  18 o 4.732563  0.7208776     37.55430       9.667850  13.49092       10.31673      2.398765       1.441755  
1 1 1 -17 9  19 o 2.599963  0.7873400     -0.5429728E-01 10.09838  8.719389       11.02085      -0.5965654     1.574680  
1 1 1 -17 9  20 o 3.895652  0.8070286     1.125542       11.66114  41.64408       12.62563      -3.062504      1.614057  
1 1 1 -17 9  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 11 1  o 10.95797  0.4258426     129.5902       13.10816  111.9752       13.14980      0.8077356      0.8516852 
1 1 1 -17 11 2  o 18.54309  0.7381818     382.6568       41.53732  319.4927       35.82827      1.660985       1.476364  
1 1 1 -17 11 3  o 23.30737  0.9001208     548.5704       59.11433  562.0541       59.10582      -0.2902340     1.800242  
1 1 1 -17 11 4  o 30.10760  1.144653      914.8531       97.05785  957.7073       97.13798      -0.7131270     2.289306  
1 1 1 -17 11 5  o 13.37048  0.5368229     192.6977       20.13459  167.6552       20.24841      0.9417725      1.073646  
1 1 1 -17 11 6  o 30.66652  1.189395      974.8663       102.8009  971.1713       102.7401      0.5979989E-01  2.378790  
1 1 1 -17 11 7  o 6.214057  0.3083110     42.38868       5.316093  35.11066       5.427400      0.5913006      0.6166219 
1 1 1 -17 11 8  o 30.23689  1.181499      943.0678       100.6242  954.6775       100.6770      -0.1919761     2.362997  
1 1 1 -17 11 9  f 5.265128  0.3431388     26.32817       4.961668  29.73752       5.133683      -0.3247614     0.6862776 
1 1 1 -17 11 10 o 2.502855  0.5341346     8.658553       4.178465  3.234611       4.479316      0.7844142      1.068269  
1 1 1 -17 11 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 11 12 o 9.844424  0.4363339     110.3909       11.97757  85.65804       12.08194      1.266132       0.8726678 
1 1 1 -17 11 13 o 16.78004  0.6533266     296.0547       30.85784  283.3923       30.90694      0.3793557      1.306653  
1 1 1 -17 11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 11 15 o 3.106684  0.7052181     14.80589       7.318024  3.169893       8.010909      1.183729       1.410436  
1 1 1 -17 11 16 o 5.174008  0.6379575     29.26785       8.645032  29.04367       9.405438      0.6019942E-01  1.275915  
1 1 1 -17 11 17 o 5.971130  0.6278997     36.51245       9.801865  42.53871       10.78442      -0.4539629     1.255799  
1 1 1 -17 11 18 o 3.076974  0.8300412     10.67316       9.615195  10.34532       10.50925      -0.2821326E-02 1.660082  
1 1 1 -17 11 19 o 2.237536  0.7380362     -4.328184      10.95395  -2.136068      12.00996      -0.1739511     1.476072  
1 1 1 -17 11 20 o 2.231336  0.7498932     -1.230027      12.30038  -4.307279      13.54636      0.2765826E-01  1.499786  
1 1 1 -17 13 1  o 13.82405  0.5375121     192.0822       20.93086  193.7406       20.94081      -0.6010502E-01 1.075024  
1 1 1 -17 13 2  o 16.61455  0.6311128     302.4336       29.56304  255.4426       29.42240      1.419598       1.262226  
1 1 1 -17 13 3  o 27.03755  1.020499      723.6894       77.70290  775.6020       77.75227      -0.9628467     2.040998  
1 1 1 -17 13 4  o 11.77511  0.4575109     140.2995       15.14647  139.1507       15.21122      0.4932166E-01  0.9150219 
1 1 1 -17 13 5  o 11.37383  0.4812784     134.3918       14.38384  125.3469       16.67947      0.4159339      0.9625567 
1 1 1 -17 13 6  o 14.31222  0.5674866     211.4412       22.82245  202.6791       22.93129      0.3079400      1.134973  
1 1 1 -17 13 7  o 20.04895  0.7255830     439.3560       40.98825  377.4011       40.90134      1.550633       1.451166  
1 1 1 -17 13 8  o 12.76822  0.5183789     173.1096       20.09432  158.0994       17.42018      0.5670614      1.036758  
1 1 1 -17 13 9  o 14.59608  0.5626955     227.1126       23.10596  204.6160       23.14279      0.7740933      1.125391  
1 1 1 -17 13 10 o 6.302316  0.3802849     40.95170       6.572329  39.46672       6.863093      0.1225305      0.7605698 
1 1 1 -17 13 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 13 12 o 2.499424  0.6367791     0.3422386E-01  6.012479  9.736481       6.502258      -1.082088      1.273558  
1 1 1 -17 13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 13 14 o 5.480691  0.5666999     37.77492       8.090237  24.33915       8.796653      1.296084       1.133400  
1 1 1 -17 13 15 o 2.394377  0.7099563     -0.5663651     7.719109  4.864834       8.788657      -0.5239577     1.419913  
1 1 1 -17 13 16 o 9.307402  0.5281041     101.5844       13.43536  82.06019       14.03901      1.088411       1.056208  
1 1 1 -17 13 17 o 2.302912  0.7330279     -2.258524      9.428252  -0.8143096E-01 10.70239      -0.2415255     1.466056  
1 1 1 -17 13 18 o 2.763775  0.8018262     14.96739       10.51411  -3.302061      11.81868      1.040070       1.603652  
1 1 1 -17 13 19 f 2.117616  0.7130831     3.646967       11.89162  -18.03471      13.07392      0.5881112      1.426166  
1 1 1 -17 13 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 15 1  o 38.44332  1.536399      1608.276       166.3358  1530.983       166.3425      1.008983       3.072799  
1 1 1 -17 15 2  o 10.30123  0.4192206     115.9841       12.26716  97.72296       12.01431      0.8888935      0.8384413 
1 1 1 -17 15 3  o 14.21356  0.6158618     205.1974       26.80933  204.5448       22.92402      -0.8459401E-02 1.231724  
1 1 1 -17 15 4  o 24.40776  0.9144946     609.7195       62.89268  613.1622       62.92146      -0.7042839E-01 1.828989  
1 1 1 -17 15 5  o 3.840679  0.4180794     15.38236       4.238946  14.91029       4.573695      0.7123716E-01  0.8361589 
1 1 1 -17 15 6  o 17.43839  0.7074563     349.5080       34.55100  270.3755       34.59655      2.282675       1.414913  
1 1 1 -17 15 7  o 14.86373  0.8447482     218.4160       34.96592  237.6252       35.42056      -0.6445627     1.689496  
1 1 1 -17 15 8  o 3.381162  0.5283689     16.27843       4.961431  6.779441       5.349933      1.325680       1.056738  
1 1 1 -17 15 9  o 6.373274  0.3985866     39.79011       6.917245  42.79138       7.313848      -0.2316828     0.7971732 
1 1 1 -17 15 10 o 18.33846  0.7033368     362.7409       36.28244  330.6043       36.35962      0.8808686      1.406674  
1 1 1 -17 15 11 o 11.67314  0.8745928     176.3014       34.48572  121.4075       23.75860      2.067137       1.749186  
1 1 1 -17 15 12 o 4.777753  0.5895780     27.29953       7.426335  20.10669       7.975204      0.7922646      1.179156  
1 1 1 -17 15 13 o 5.964019  0.5310542     37.56078       8.397947  37.01146       9.171760      0.7365666E-01  1.062108  
1 1 1 -17 15 14 f 4.554489  0.7020646     21.11397       8.224226  25.52226       9.424121      -0.4211448     1.404129  
1 1 1 -17 15 15 o 9.385376  0.5228896     95.47838       13.36802  92.23509       14.20096      0.2125068      1.045779  
1 1 1 -17 15 16 o 2.508206  0.7687565     4.170728       9.303722  -0.4905368     11.16510      0.1101965      1.537513  
1 1 1 -17 15 17 o 3.627270  0.8718411     22.74722       10.48902  12.53543       12.12569      0.9176809      1.743682  
1 1 1 -17 15 18 o 2.151280  0.7257750     -2.772973      11.61042  -8.492881      13.18874      0.7096323E-01  1.451550  
1 1 1 -17 15 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 17 1  o 24.04103  0.9192001     617.8759       62.22142  574.3908       62.26687      0.9081970      1.838400  
1 1 1 -17 17 2  o 10.18003  0.4314344     113.6417       12.47486  95.54198       12.20934      0.8912954      0.8628687 
1 1 1 -17 17 3  o 19.98347  0.9188252     440.9127       51.77679  384.7867       51.38470      1.407043       1.837650  
1 1 1 -17 17 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 17 5  o 26.98627  1.076123      801.9788       81.82224  729.2377       81.67150      1.350701       2.152246  
1 1 1 -17 17 6  o 2.552824  0.5639520     11.50651       5.253569  -1.113425      5.443742      1.491208       1.127904  
1 1 1 -17 17 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 17 8  o 12.03788  0.4791680     145.8723       16.01133  148.9795       16.49611      -0.1232821     0.9583360 
1 1 1 -17 17 9  o 3.647171  0.8208504     13.81827       8.988990  13.80581       10.17218      -0.4001666E-01 1.641701  
1 1 1 -17 17 10 o 7.646494  0.4550221     64.53113       9.513356  54.64717       9.957902      0.6626173      0.9100443 
1 1 1 -17 17 11 o 5.611522  0.5492125     37.37952       8.075235  27.60474       8.825347      0.9264135      1.098425  
1 1 1 -17 17 12 o 10.39802  0.5068322     123.7809       14.55340  100.6021       14.98036      1.136598       1.013664  
1 1 1 -17 17 13 o 7.753012  0.5369789     76.65981       11.10598  50.28854       11.69299      1.759681       1.073958  
1 1 1 -17 17 14 o 3.914969  0.7888138     21.45027       8.895655  14.11859       10.05034      0.7935978      1.577628  
1 1 1 -17 17 15 o 6.326368  0.6701415     53.37241       10.82907  37.78351       12.35903      1.420124       1.340283  
1 1 1 -17 17 16 o 3.316616  0.8601277     19.52848       10.26068  8.880841       12.31930      0.8369761      1.720255  
1 1 1 -17 17 17 o 3.144538  0.8324061     27.54363       11.58061  -4.474132      14.22267      1.854922       1.664812  
1 1 1 -17 17 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 19 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 19 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 19 3  o 10.04808  0.4661143     108.5611       13.57205  96.83333       12.77782      0.5762252      0.9322287 
1 1 1 -17 19 4  o 14.91592  0.6312623     242.0457       28.50514  216.8833       24.79751      0.7884437      1.262525  
1 1 1 -17 19 5  o 12.72897  0.5251575     176.2630       18.80782  154.0699       18.79441      0.8758449      1.050315  
1 1 1 -17 19 6  o 10.55041  0.4693995     127.0512       13.87154  99.57569       13.87986      1.311113       0.9387990 
1 1 1 -17 19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 19 8  o 10.23091  0.4800368     116.2829       13.43948  97.60273       14.14082      0.9341455      0.9600736 
1 1 1 -17 19 9  o 4.248612  0.6590564     22.21861       7.395777  16.02301       8.307575      0.7379701      1.318113  
1 1 1 -17 19 10 o 8.536628  0.4839565     79.66438       11.27734  71.27798       11.89679      0.5144681      0.9679130 
1 1 1 -17 19 11 o 6.451936  0.5463953     48.86922       9.276562  38.66887       10.21922      0.8548213      1.092791  
1 1 1 -17 19 12 o 6.878525  0.5701026     52.04344       10.29964  50.52592       11.56330      0.1832586      1.140205  
1 1 1 -17 19 13 o 5.510123  0.7111316     40.93622       10.17015  28.55378       11.46073      1.257607       1.422263  
1 1 1 -17 19 14 o 2.761301  0.7664280     16.71106       9.883740  -8.258722      11.45741      1.453018       1.532856  
1 1 1 -17 19 15 o 3.100091  0.8446478     20.67314       10.82019  2.820488       12.69982      1.179324       1.689296  
1 1 1 -17 19 16 o 2.518924  0.8130968     3.025780       11.56156  9.505110       14.40906      -0.3638021     1.626194  
1 1 1 -17 19 17 o 2.577711  0.9026731     13.27143       20.40715  0.2211482      33.70833      0.1134813      1.805346  
1 1 1 -17 21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 21 2  o 8.096189  0.9144150     99.43355       16.13143  40.24836       23.33397      3.921284       1.828830  
1 1 1 -17 21 3  o 7.068080  0.5349140     66.22703       11.81990  38.98532       9.171782      1.886059       1.069828  
1 1 1 -17 21 4  o 5.669606  0.5333725     38.43595       8.239427  27.97308       8.307994      0.9511830      1.066745  
1 1 1 -17 21 5  o 10.04617  0.4874680     124.3487       13.51468  83.88683       13.64020      2.034861       0.9749359 
1 1 1 -17 21 6  o 6.461639  0.5059986     49.32638       9.048091  37.17393       9.012030      0.9579720      1.011997  
1 1 1 -17 21 7  o 2.389443  0.6898860     -2.374109      7.552951  7.227186       8.069486      -0.8116766     1.379772  
1 1 1 -17 21 8  o 7.911448  0.5557113     86.65599       11.01912  46.19463       12.20717      2.660243       1.111423  
1 1 1 -17 21 9  o 4.931961  0.6784117     30.96296       8.496021  21.74536       10.34495      1.040085       1.356823  
1 1 1 -17 21 10 o 5.414547  0.6752008     44.41340       9.425062  20.81617       10.57403      2.279745       1.350402  
1 1 1 -17 21 11 o 4.186935  0.7968335     12.05687       9.332535  31.98000       11.01646      -1.917652      1.593667  
1 1 1 -17 21 12 o 4.500178  0.8112738     32.47199       10.14178  18.19821       12.27013      1.514669       1.622548  
1 1 1 -17 21 13 o 3.378958  0.8961062     14.02334       10.42068  20.25753       13.01838      -0.4245825     1.792212  
1 1 1 -17 21 14 o 2.265279  0.7544497     -1.624967      11.24942  -1.423444      13.90056      -0.1661374     1.508899  
1 1 1 -17 21 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 23 1  o 17.98003  0.7730530     372.8401       39.05152  333.9211       39.12403      1.090988       1.546106  
1 1 1 -17 23 2  o 4.044546  0.7464603     21.69396       8.723627  14.72952       8.747664      0.7740135      1.492921  
1 1 1 -17 23 3  o 2.271503  0.7051581     -1.532326      9.334056  -0.1635336     8.160747      0.6223417E-01  1.410316  
1 1 1 -17 23 4  o 6.767159  0.5365540     49.44582       9.972559  47.81361       10.21431      0.1326949      1.073108  
1 1 1 -17 23 5  o 2.940095  0.7215739     17.19957       8.877479  -2.190033      8.336593      1.735139       1.443148  
1 1 1 -17 23 6  o 2.207625  0.6947716     0.5171649      8.572049  -3.724698      9.031370      0.1879545      1.389543  
1 1 1 -17 23 7  o 5.594549  0.6569749     40.87523       10.02049  28.85237       9.947412      1.101980       1.313950  
1 1 1 -17 23 8  o 3.982607  0.8617884     20.36941       9.861066  19.50657       11.68558      0.1476592      1.723577  
1 1 1 -17 23 9  o 4.103990  0.7969781     27.77431       9.430550  12.38208       11.91573      1.553378       1.593956  
1 1 1 -17 23 10 o 4.672166  0.7902825     36.58844       10.05973  18.23732       12.99431      1.940012       1.580565  
1 1 1 -17 23 11 o 4.067220  0.9163213     28.62214       11.40965  21.49448       13.30317      0.7804033      1.832643  
1 1 1 -17 23 12 o 3.451278  0.9341182     22.78778       11.87704  18.64540       14.45251      0.4250929      1.868236  
1 1 1 -17 23 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 25 1  o 2.564977  0.7306356     11.06784       8.714124  -4.534355      9.479916      1.025951       1.461271  
1 1 1 -17 25 2  o 7.745781  0.7030679     93.54768       17.32414  48.32789       12.62657      2.592412       1.406136  
1 1 1 -17 25 3  o 2.360877  0.7530934     0.9067392      10.93609  -3.600153      10.46548      0.2679060      1.506187  
1 1 1 -17 25 4  o 5.519578  0.7927099     42.94477       12.84634  32.60686       11.11860      0.7663837      1.585420  
1 1 1 -17 25 5  o 4.618365  0.7896862     17.71000       10.82931  35.40371       10.57089      -1.757089      1.579372  
1 1 1 -17 25 6  o 3.048180  0.8487850     14.99508       11.28523  7.289461       10.55508      0.5876347      1.697570  
1 1 1 -17 25 7  o 4.076033  0.8627548     27.82176       10.92987  18.81264       10.93089      0.8693418      1.725510  
1 1 1 -17 25 8  o 2.445173  0.7479677     14.26405       10.95540  -12.14726      11.62908      1.229555       1.495935  
1 1 1 -17 25 9  o 1.989799  0.6858532     -3.854120      11.33802  -25.02338      14.92409      0.2403831      1.371706  
1 1 1 -17 25 10 o 2.585759  1.332265      ?              ?         -58.42106      52.16959      ?              ?         
1 1 1 -17 25 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 27 1  o 3.381469  0.8894526     16.25209       10.75308  18.63852       12.04154      -0.1453860     1.778905  
1 1 1 -17 27 2  o 7.624079  0.7620943     76.44263       17.35938  77.08840       14.86834      -0.4426677     1.524189  
1 1 1 -17 27 3  o 2.367396  0.7780391     -2.553351      13.78577  1.673865       11.61323      -0.3229804E-01 1.556078  
1 1 1 -17 27 4  o 3.322972  0.9230958     -12.92111      24.05666  29.86344       13.00389      -1.646058      1.846192  
1 1 1 -17 27 5  o 2.138808  0.7556905     -21.48067      19.46278  -22.30743      18.26932      0.7299429E-01  1.511381  
1 1 1 -17 27 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 27 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -17 29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 0  5  o 30.17842  1.881435      941.5482       112.5343  941.5482       112.5343      ?              ?         
1 1 1 -16 0  6  o 20.55738  1.125419      430.1490       45.95217  430.1490       45.95217      ?              ?         
1 1 1 -16 0  7  o 20.84674  1.142417      442.6120       47.30213  442.6120       47.30213      ?              ?         
1 1 1 -16 0  8  o 16.40433  0.8869617     272.9431       28.90435  272.9431       28.90435      ?              ?         
1 1 1 -16 0  9  o 15.20543  0.8327976     234.2971       25.15123  234.2971       25.15123      ?              ?         
1 1 1 -16 0  10 o 28.13514  1.548304      809.6633       86.51608  809.6633       86.51608      ?              ?         
1 1 1 -16 0  11 o 20.79766  1.139812      439.5546       47.08309  439.5546       47.08309      ?              ?         
1 1 1 -16 0  12 o 24.43445  1.346639      609.0375       65.34857  609.0375       65.34857      ?              ?         
1 1 1 -16 0  13 f 9.480083  0.5617930     91.02203       10.56524  91.02203       10.56524      ?              ?         
1 1 1 -16 0  14 o 4.396203  0.7536526     21.03402       6.042437  21.03402       6.042437      ?              ?         
1 1 1 -16 0  15 o 12.92421  0.7399883     169.7572       18.98289  169.7572       18.98289      ?              ?         
1 1 1 -16 0  16 f 9.733716  0.6269069     96.50658       12.08665  96.50658       12.08665      ?              ?         
1 1 1 -16 0  17 o 2.793043  1.218611      11.45772       7.070145  11.45772       7.070145      ?              ?         
1 1 1 -16 0  18 o 2.399315  1.255112      8.874678       7.905635  8.874678       7.905635      ?              ?         
1 1 1 -16 0  19 o 10.58510  0.7446594     116.7491       15.58205  116.7491       15.58205      ?              ?         
1 1 1 -16 0  20 f 4.873385  1.240138      29.95084       10.44944  29.95084       10.44944      ?              ?         
1 1 1 -16 0  21 o 2.261898  1.351412      8.635487       10.83290  8.635487       10.83290      ?              ?         
1 1 1 -16 0  22 o 1.549502  1.080353      -5.482179      12.11298  -5.482179      12.11298      ?              ?         
1 1 1 -16 2  1  o 19.65392  0.7185293     386.9555       39.79659  394.3524       39.81499      -0.1885914     1.437059  
1 1 1 -16 2  2  o 5.133752  0.2254906     25.56510       3.300736  27.31922       3.214768      -0.1723309     0.4509813 
1 1 1 -16 2  3  o 5.189736  0.2426571     28.36955       3.569359  25.76190       3.509670      0.2520265      0.4853142 
1 1 1 -16 2  4  o 13.39573  0.5973004     182.5506       19.48402  179.7678       27.60990      0.1670715      1.194601  
1 1 1 -16 2  5  o 11.96542  0.6585421     156.5857       22.09457  133.9696       22.04721      0.9526207      1.317084  
1 1 1 -16 2  6  o 13.84602  0.7695961     207.5126       29.87741  183.9252       29.84420      0.8582109      1.539192  
1 1 1 -16 2  7  o 21.22030  1.182369      504.7470       70.27953  435.6440       70.25699      1.641955       2.364739  
1 1 1 -16 2  8  o 6.563838  0.4074522     48.38421       7.456411  38.48420       7.460534      0.7633066      0.8149045 
1 1 1 -16 2  9  o 9.916781  0.5629544     96.65109       15.60991  102.7508       15.69415      -0.3089582     1.125909  
1 1 1 -16 2  10 o 18.81007  1.048462      367.1853       55.31519  362.5254       55.34341      0.1249743      2.096924  
1 1 1 -16 2  11 o 13.68295  0.7557197     180.8158       28.90121  200.1649       29.07757      -0.7106963     1.511439  
1 1 1 -16 2  12 o 12.25791  0.6938146     154.3624       23.78631  151.5938       23.92085      0.1149703      1.387629  
1 1 1 -16 2  13 o 2.352493  0.6194573     5.579510       5.248641  2.370436       6.008413      0.2651912      1.238915  
1 1 1 -16 2  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 2  15 o 12.14424  0.4945497     139.1827       16.88903  159.7993       16.89734      -0.8528443     0.9890994 
1 1 1 -16 2  16 o 9.075101  0.4321281     85.23353       11.01291  82.18150       11.03881      0.1693315      0.8642563 
1 1 1 -16 2  17 o 9.895874  0.4687123     101.9129       13.01549  98.71028       13.06889      0.1635937      0.9374245 
1 1 1 -16 2  18 o 2.931580  0.7370718     3.713652       7.927976  12.32113       8.086884      -0.8572896     1.474144  
1 1 1 -16 2  19 o 2.543855  0.6643562     -16.19817      8.698429  15.91592       9.054101      -2.111641      1.328712  
1 1 1 -16 2  20 o 2.604147  0.7643074     9.678612       9.572994  -1.688282      9.893396      0.7347790      1.528615  
1 1 1 -16 2  21 o 4.665146  0.8126432     41.87500       11.55623  16.80608       11.52732      2.321036       1.625286  
1 1 1 -16 2  22 o 3.401667  0.9244204     17.02955       12.53483  25.28199       12.82925      -0.5732972     1.848841  
1 1 1 -16 4  1  o 2.910853  0.2317182     8.300487       1.806603  8.907206       1.948986      -0.1024020     0.4634364 
1 1 1 -16 4  2  o 39.42406  1.523109      1676.665       169.1828  1594.786       169.1235      1.041198       3.046217  
1 1 1 -16 4  3  o 24.56018  1.018635      607.1210       65.87001  636.1614       76.10223      -0.4932724     2.037270  
1 1 1 -16 4  4  o 21.30177  0.8129349     455.6067       48.77161  469.8206       48.81598      -0.3342744     1.625870  
1 1 1 -16 4  5  o 5.111366  0.2403289     27.49035       3.434202  24.98844       3.470664      0.2464717      0.4806578 
1 1 1 -16 4  6  o 5.547518  0.2529487     34.56386       3.934783  27.24930       3.929507      0.6638395      0.5058974 
1 1 1 -16 4  7  o 13.97147  0.5394406     188.9086       21.20976  205.5925       21.23951      -0.5990789     1.078881  
1 1 1 -16 4  8  o 24.83529  0.9576088     619.5278       66.97561  647.6326       67.02464      -0.5671690     1.915218  
1 1 1 -16 4  9  o 8.302595  0.3404956     71.73678       7.974278  66.89081       7.942551      0.2927725      0.6809911 
1 1 1 -16 4  10 o 17.82124  0.6854981     324.4850       34.42311  319.2574       34.42138      0.1471025      1.370996  
1 1 1 -16 4  11 o 3.360301  0.3744939     11.72743       3.367663  11.45915       3.521073      0.4490339E-01  0.7489877 
1 1 1 -16 4  12 o 9.299506  0.3844231     82.73917       10.02550  91.30993       10.09461      -0.4623321     0.7688462 
1 1 1 -16 4  13 o 4.567050  0.4222396     32.14392       4.858473  11.72933       4.931289      2.300287       0.8444793 
1 1 1 -16 4  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 4  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 4  16 o 6.220609  0.6487758     39.02358       10.29582  42.67342       12.04563      -0.2491323     1.297552  
1 1 1 -16 4  17 o 11.72903  0.7458954     136.1344       23.93748  156.1809       24.96823      -0.8311669     1.491791  
1 1 1 -16 4  18 o 5.929286  0.8153028     34.11854       11.95733  46.13024       14.57413      -0.8829362     1.630606  
1 1 1 -16 4  19 o 2.774681  0.8427722     7.607498       11.20816  -5.575423      13.74487      0.4802755      1.685544  
1 1 1 -16 4  20 o 5.188155  0.9698457     42.34148       13.94679  29.34529       16.44929      1.280960       1.939691  
1 1 1 -16 4  21 o 3.057418  0.9288954     19.60208       14.18537  -0.7824512     17.30504      0.8551136      1.857791  
1 1 1 -16 4  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 6  1  o 16.48058  0.6521762     274.6063       32.68714  275.8547       28.33487      -0.7083602E-01 1.304352  
1 1 1 -16 6  2  o 29.14950  1.297583      949.4540       106.3527  827.0116       106.2208      2.110474       2.595166  
1 1 1 -16 6  3  o 18.33079  0.7070544     347.7586       36.52635  335.2983       36.50452      0.3407787      1.414109  
1 1 1 -16 6  4  o 6.108985  0.2691091     37.33701       4.507345  37.76728       4.756150      -0.3337733E-01 0.5382182 
1 1 1 -16 6  5  f 14.04753  0.5334876     191.1816       21.07704  207.5710       21.13885      -0.5849789     1.066975  
1 1 1 -16 6  6  o 22.21010  0.8504377     514.6560       53.24237  495.3110       53.19252      0.4363783      1.700875  
1 1 1 -16 6  7  o 21.24484  0.8164835     451.5528       48.85953  469.9596       48.88108      -0.4343957     1.632967  
1 1 1 -16 6  8  f 12.70618  0.4845778     157.2747       17.32934  168.2304       17.35889      -0.4324079     0.9691556 
1 1 1 -16 6  9  o 38.43802  1.525158      1556.509       165.0884  1565.090       165.2079      -0.1104164     3.050317  
1 1 1 -16 6  10 o 6.701832  0.3069878     46.40565       5.784088  43.94110       5.788413      0.1847638      0.6139755 
1 1 1 -16 6  11 o 13.23125  0.5092813     166.4487       18.93351  186.5126       19.00663      -0.7607877     1.018563  
1 1 1 -16 6  12 o 15.27580  0.5911404     235.8188       25.42133  236.9652       25.46607      -0.3728630E-01 1.182281  
1 1 1 -16 6  13 o 2.649565  0.4953125     12.62289       4.414272  0.2295259      4.524854      1.721210       0.9906250 
1 1 1 -16 6  14 o 12.82789  0.5181541     174.1648       18.70464  159.6317       18.71694      0.5689323      1.036308  
1 1 1 -16 6  15 o 10.17799  0.4415847     106.7163       12.64397  103.5749       12.65578      0.1550823      0.8831694 
1 1 1 -16 6  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 6  17 o 2.205914  0.6367108     7.710338       7.259904  -9.529906      7.695627      1.148462       1.273422  
1 1 1 -16 6  18 f 7.159817  0.5272527     60.83349       10.31723  46.68312       10.59466      1.017864       1.054505  
1 1 1 -16 6  19 o 8.704306  0.5361068     82.88007       12.91846  80.47268       13.21723      0.1552624      1.072214  
1 1 1 -16 6  20 o 2.052936  0.6836611     -3.596855      10.00776  -10.09020      10.65385      0.1835448      1.367322  
1 1 1 -16 6  21 o 3.316585  0.8907632     12.27515       11.42872  22.08894       12.10678      -0.7215068     1.781526  
1 1 1 -16 6  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 8  1  o 26.20945  0.9999991     713.9205       73.84502  703.3764       73.86530      0.2019813      1.999998  
1 1 1 -16 8  2  o 5.834820  0.2607842     37.11483       4.395092  31.40983       4.159090      0.4892710      0.5215684 
1 1 1 -16 8  3  o 15.68299  0.6028869     254.0314       26.65032  244.4361       26.62709      0.3067046      1.205774  
1 1 1 -16 8  4  o 21.65669  0.8390645     484.2467       51.17190  475.9010       51.22486      0.1938128      1.678129  
1 1 1 -16 8  5  o 8.910872  0.3579449     81.73832       8.928357  78.05389       9.038162      0.2082521      0.7158898 
1 1 1 -16 8  6  o 19.86194  0.7588478     393.2658       42.46491  409.8406       42.46616      -0.4185674     1.517696  
1 1 1 -16 8  7  o 5.582090  0.2713809     29.91085       4.206331  32.79256       4.306288      -0.2586290     0.5427617 
1 1 1 -16 8  8  o 20.20676  0.7612483     395.8510       43.28966  433.1196       43.35923      -0.9250223     1.522497  
1 1 1 -16 8  9  o 11.07351  0.4313144     125.8651       13.45485  121.0787       13.45508      0.2168285      0.8626288 
1 1 1 -16 8  10 o 4.280913  0.3346114     22.55913       3.907309  14.44278       3.923975      0.9701576      0.6692229 
1 1 1 -16 8  11 o 21.82133  0.8357980     484.7657       51.38152  488.6082       51.40361      -0.8810076E-01 1.671596  
1 1 1 -16 8  12 o 22.37335  0.8614554     523.8999       54.30669  504.6934       54.29547      0.4304709      1.722911  
1 1 1 -16 8  13 o 10.56914  0.4429273     112.0617       13.13248  113.9468       13.23032      -0.8858566E-01 0.8858546 
1 1 1 -16 8  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 8  15 o 7.211201  0.4280220     56.39534       8.528698  49.24281       8.748894      0.5045919      0.8560441 
1 1 1 -16 8  16 o 10.40016  0.4818347     122.3935       13.97731  99.08215       14.12159      1.131729       0.9636694 
1 1 1 -16 8  17 o 7.556782  0.4915656     59.90405       10.19381  59.05815       10.59476      0.6890794E-01  0.9831311 
1 1 1 -16 8  18 o 2.791722  0.7541916     11.85484       8.563550  -0.2532718     9.326205      0.9215500      1.508383  
1 1 1 -16 8  19 o 8.773422  0.5571396     89.04171       13.45368  79.65324       13.87547      0.5684391      1.114279  
1 1 1 -16 8  20 o 4.223340  0.8846686     23.13229       10.98214  27.48857       11.69693      -0.3558468     1.769337  
1 1 1 -16 8  21 o 3.323315  0.8169546     33.17406       11.97050  -3.495305      12.91914      2.353529       1.633909  
1 1 1 -16 8  22 o 3.253299  0.9438996     16.02797       14.25909  38.11115       15.29628      -1.145734      1.887799  
1 1 1 -16 10 1  o 8.564627  0.3271246     74.19298       7.843998  73.37317       7.946773      0.4867394E-01  0.6542491 
1 1 1 -16 10 2  o 14.33808  0.5368465     220.8873       21.71684  194.2415       21.62221      0.9322420      1.073693  
1 1 1 -16 10 3  o 9.585713  0.3859547     96.86197       10.48709  88.13528       10.34158      0.4559917      0.7719095 
1 1 1 -16 10 4  o 16.81412  0.6451420     281.8250       30.53721  291.3164       30.58925      -0.2827304     1.290284  
1 1 1 -16 10 5  o 3.198627  0.3283613     7.060682       2.597592  14.10180       3.053226      -1.120589      0.6567225 
1 1 1 -16 10 6  o 11.02321  0.4227136     130.5292       13.12421  113.8762       13.10332      0.7584955      0.8454272 
1 1 1 -16 10 7  o 35.97165  1.411596      1321.232       142.9940  1389.002       143.0518      -0.9445565     2.823193  
1 1 1 -16 10 8  o 6.339479  0.3033496     46.54881       5.346044  34.26726       5.389811      0.9771416      0.6066993 
1 1 1 -16 10 9  o 28.62372  1.111523      839.7904       89.60055  852.7884       89.68214      -0.2268913     2.223046  
1 1 1 -16 10 10 o 2.868290  0.4652924     11.17526       3.748341  5.473711       3.882639      0.9381920      0.9305848 
1 1 1 -16 10 11 o 19.55641  0.7473038     396.0875       41.17396  385.0636       41.18496      0.2828286      1.494608  
1 1 1 -16 10 12 o 10.37118  0.9102630     102.1501       25.33652  122.9539       26.79937      -0.9932203     1.820526  
1 1 1 -16 10 13 o 5.716836  0.5013339     36.73686       7.849489  29.95556       7.956025      0.6085761      1.002668  
1 1 1 -16 10 14 o 7.450414  0.4207701     49.22081       8.578054  63.64940       8.935475      -0.9719305     0.8415402 
1 1 1 -16 10 15 o 11.44396  0.5005374     146.3541       16.02503  121.6554       16.14112      1.087988       1.001075  
1 1 1 -16 10 16 o 6.764303  0.5003624     55.08620       9.078609  39.25983       9.586895      1.210672       1.000725  
1 1 1 -16 10 17 o 3.564003  0.7796478     11.94099       8.310255  16.87851       9.118861      -0.5377151     1.559296  
1 1 1 -16 10 18 o 3.781467  0.8042753     10.17583       9.282066  24.15462       10.18303      -1.389670      1.608551  
1 1 1 -16 10 19 o 2.486400  0.7637210     -4.646943      10.14312  9.634896       11.09171      -0.8713230     1.527442  
1 1 1 -16 10 20 o 3.345417  0.8921739     11.02245       11.40551  24.14626       12.44153      -0.9559809     1.784348  
1 1 1 -16 10 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 12 1  o 7.158524  0.3025159     54.85091       6.106897  48.08375       6.072831      0.4747705      0.6050318 
1 1 1 -16 12 2  o 1.631874  0.4210438     0.6501051E-01  2.924011  3.351345       2.483240      -0.4396393     0.8420875 
1 1 1 -16 12 3  o 24.27869  0.9016258     637.6142       61.67626  565.3652       61.59545      1.493076       1.803252  
1 1 1 -16 12 4  o 14.25270  0.5495036     209.9049       22.05269  200.2089       22.07483      0.3414127      1.099007  
1 1 1 -16 12 5  f 27.08029  1.031559      788.8549       78.70727  715.2349       78.62014      1.363716       2.063117  
1 1 1 -16 12 6  o 14.72488  0.5722432     228.1558       23.70383  209.5326       23.75265      0.6351205      1.144486  
1 1 1 -16 12 7  o 11.89331  0.4634788     146.1296       15.50423  138.9217       15.55058      0.3043559      0.9269575 
1 1 1 -16 12 8  o 22.60775  0.8645623     534.9099       55.05789  509.6176       55.07497      0.5613568      1.729125  
1 1 1 -16 12 9  f 24.10558  0.9217455     619.0654       62.58812  574.7136       62.57842      0.9231358      1.843491  
1 1 1 -16 12 10 o 3.967343  0.4321178     17.99633       4.553511  13.93952       4.818115      0.5339347      0.8642355 
1 1 1 -16 12 11 o 10.51252  0.4299652     120.0568       12.69791  103.0138       12.72157      0.8149597      0.8599303 
1 1 1 -16 12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 12 13 o 6.725901  0.4339051     55.69290       7.785026  36.22311       8.241718      1.480598       0.8678102 
1 1 1 -16 12 14 o 13.78089  1.035630      176.4597       46.21704  231.7482       33.62141      -2.536463      2.071260  
1 1 1 -16 12 15 o 4.831202  0.6067935     24.61020       7.649612  25.44922       8.378812      -0.5896984E-01 1.213587  
1 1 1 -16 12 16 o 4.788797  0.6797292     24.50997       8.452386  26.49741       9.386563      -0.1609555     1.359458  
1 1 1 -16 12 17 o 3.388195  0.8072482     12.92585       8.676882  13.44267       9.713490      -0.6589009E-01 1.614496  
1 1 1 -16 12 18 o 2.077430  0.6886374     -5.501318      9.670991  -6.905803      10.75532      -0.6081041E-01 1.377275  
1 1 1 -16 12 19 o 3.688507  0.9059641     23.42628       11.26324  16.82012       12.44883      0.6121267      1.811928  
1 1 1 -16 12 20 o 2.605097  0.7906777     21.72654       12.42017  -12.52842      13.64079      1.454312       1.581355  
1 1 1 -16 14 1  o 6.349091  0.3016320     48.18677       5.393590  33.15110       5.268867      1.192542       0.6032640 
1 1 1 -16 14 2  o 19.73637  0.8142433     408.3440       48.85150  387.4175       42.32652      0.4787089      1.628487  
1 1 1 -16 14 3  o 14.89708  0.6405115     219.5971       29.05493  228.6290       25.09101      -0.3339492     1.281023  
1 1 1 -16 14 4  o 10.90593  0.4344779     135.1355       13.28463  104.4335       13.28088      1.415486       0.8689559 
1 1 1 -16 14 5  o 25.19715  0.9762421     644.0446       69.30834  659.3074       69.30242      -0.3038742     1.952484  
1 1 1 -16 14 6  o 21.08765  0.8131099     484.0808       48.27233  422.2726       48.23206      1.471590       1.626220  
1 1 1 -16 14 7  o 6.937719  0.3299654     50.10036       6.380793  46.78210       6.489824      0.2413796      0.6599309 
1 1 1 -16 14 8  o 9.829576  0.4075475     102.7657       11.23924  91.90285       11.30304      0.5556977      0.8150949 
1 1 1 -16 14 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 14 10 o 10.69719  0.4407268     119.6597       13.20028  111.7740       13.34473      0.3715614      0.8814536 
1 1 1 -16 14 11 o 2.833052  0.6275832     9.960279       5.482386  5.692008       6.000719      0.5227342      1.255166  
1 1 1 -16 14 12 o 6.971862  0.4283752     54.89368       8.155995  43.62470       8.509821      0.8250813      0.8567504 
1 1 1 -16 14 13 o 6.795323  0.4636883     41.43621       8.468997  53.49237       9.069334      -0.8846322     0.9273766 
1 1 1 -16 14 14 o 5.386702  0.5665636     33.66024       7.932259  26.72944       8.840344      0.7001275      1.133127  
1 1 1 -16 14 15 o 7.612597  0.5056347     63.30888       10.34723  57.98469       11.20296      0.3858846      1.011269  
1 1 1 -16 14 16 o 3.065695  0.8008542     6.908878       8.597062  13.17759       10.04983      -0.6281882     1.601708  
1 1 1 -16 14 17 o 3.199309  0.8349894     14.83165       9.674994  8.468685       10.80876      0.5066659      1.669979  
1 1 1 -16 14 18 o 2.643354  0.8055752     2.074592       10.53536  9.993450       11.66798      -0.5188355     1.611150  
1 1 1 -16 14 19 o 2.099902  0.7113019     -13.17134      11.77590  3.050681       13.09733      -0.5959052     1.422604  
1 1 1 -16 16 1  o 24.46563  0.9082291     677.4648       62.49018  548.6244       62.36340      2.644228       1.816458  
1 1 1 -16 16 2  o 3.807307  0.4066448     15.23932       4.434980  14.57823       4.072799      0.7985680E-01  0.8132895 
1 1 1 -16 16 3  o 16.51743  0.7077236     285.2177       35.63758  271.9991       30.70956      0.3557964      1.415447  
1 1 1 -16 16 4  o 33.81800  1.305503      1269.552       124.3855  1140.880       124.1966      1.907330       2.611006  
1 1 1 -16 16 5  o 13.47832  0.5358517     202.8176       20.28412  164.6225       20.28291      1.424440       1.071703  
1 1 1 -16 16 6  o 5.081160  0.3847998     26.97132       5.145176  25.28899       5.793873      0.1787534      0.7695996 
1 1 1 -16 16 7  o 15.97813  1.255977      265.0084       39.81377  ?              ?             ?              ?         
1 1 1 -16 16 8  f 13.36684  0.5305794     197.0601       19.92680  165.4736       19.94769      1.187726       1.061159  
1 1 1 -16 16 9  o 4.417493  1.296090      ?              ?         20.84047       12.19514      ?              ?         
1 1 1 -16 16 10 f 17.31987  0.6621464     323.1845       32.26557  294.8715       32.32619      0.8215247      1.324293  
1 1 1 -16 16 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 16 12 o 3.126474  0.7058975     12.64976       6.900073  6.756040       7.662179      0.6315703      1.411795  
1 1 1 -16 16 13 o 13.88868  0.5787501     227.2999       22.45730  177.0745       22.58076      1.823189       1.157500  
1 1 1 -16 16 14 o 5.452551  0.6279844     21.31352       8.504682  44.21872       9.911607      -2.083546      1.255969  
1 1 1 -16 16 15 f 2.424801  0.7386792     2.098813       8.474923  1.022765       10.02262      -0.8902323E-01 1.477358  
1 1 1 -16 16 16 o 2.603445  0.7851115     4.640290       9.497588  3.549436       10.99696      -0.4273601E-01 1.570223  
1 1 1 -16 16 17 f 2.983125  0.8555756     12.33451       10.61621  9.321938       12.16229      0.1737740      1.711151  
1 1 1 -16 16 18 o 3.831513  0.9585727     28.40676       12.42693  24.54506       14.05134      0.4610735      1.917145  
1 1 1 -16 18 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 18 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 18 3  o 15.69600  0.5721479     260.6005       25.42887  239.8307       25.17490      0.6611916      1.144296  
1 1 1 -16 18 4  o 8.860445  0.3993982     80.23516       9.857455  78.46448       10.05901      0.1023565      0.7987965 
1 1 1 -16 18 5  o 9.925110  0.4314342     108.0248       12.00530  91.05344       12.05214      0.8605301      0.8628684 
1 1 1 -16 18 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 18 7  o 6.368460  0.4232223     38.18655       7.077168  44.85498       8.036259      -0.5117497     0.8464445 
1 1 1 -16 18 8  o 5.503814  0.4675892     36.86465       6.477211  24.22461       7.587811      1.213101       0.9351783 
1 1 1 -16 18 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 18 10 o 4.738133  0.5862114     22.44764       7.193984  25.38984       7.986194      -0.2875818     1.172423  
1 1 1 -16 18 11 o 9.137804  0.4752680     92.95847       11.89214  78.89436       12.47014      0.7916777      0.9505361 
1 1 1 -16 18 12 o 3.377379  0.7125485     2.398809       7.799198  21.74054       8.845089      -2.015111      1.425097  
1 1 1 -16 18 13 o 2.590497  0.7468942     5.485907       8.114866  2.901988       9.303404      0.8785661E-01  1.493788  
1 1 1 -16 18 14 o 4.067222  0.7668635     26.02332       8.953649  11.82701       10.64671      1.478923       1.533727  
1 1 1 -16 18 15 o 4.062752  0.8570018     15.99044       9.743808  29.43635       11.90109      -1.173750      1.714004  
1 1 1 -16 18 16 o 1.884748  0.6519504     -15.38334      10.51427  -9.965847      12.67190      -0.3454597     1.303901  
1 1 1 -16 18 17 o 4.621188  0.9874873     34.53611       13.16994  43.22282       14.93979      -0.4331554     1.974975  
1 1 1 -16 20 1  o 13.11418  0.5396157     183.7644       19.83447  166.7290       19.99673      0.6546673      1.079231  
1 1 1 -16 20 2  o 11.97211  0.5390350     148.4678       19.34944  144.8034       17.16160      0.1220806      1.078070  
1 1 1 -16 20 3  f 2.996144  0.6510138     12.98577       6.511339  5.134640       6.081108      0.9965545      1.302028  
1 1 1 -16 20 4  o 15.76232  0.6250716     279.2185       27.72669  231.6812       27.64823      1.514295       1.250143  
1 1 1 -16 20 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 20 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 20 7  o 9.689350  0.4885228     103.2753       12.39747  87.98051       14.31134      0.8379812      0.9770455 
1 1 1 -16 20 8  o 6.430747  0.4933940     45.67019       8.275726  39.25221       9.454691      0.5443164      0.9867879 
1 1 1 -16 20 9  o 4.778301  0.6091951     26.32986       7.555989  22.28145       8.412444      0.4709264      1.218390  
1 1 1 -16 20 10 o 6.967882  0.5076150     52.25002       9.448056  49.77519       10.32303      0.2139200      1.015230  
1 1 1 -16 20 11 o 2.906936  0.7678936     4.727362       8.059776  12.13819       9.338842      -0.7496456     1.535787  
1 1 1 -16 20 12 o 2.169621  0.6907571     -7.551102      8.542095  3.437867       10.29742      -0.7742438     1.381514  
1 1 1 -16 20 13 o 3.725066  0.8084906     7.629738       9.278522  28.51976       11.09003      -1.930145      1.616981  
1 1 1 -16 20 14 o 4.248106  0.8272387     33.11559       10.56692  14.83760       12.15985      1.791347       1.654477  
1 1 1 -16 20 15 o 3.028210  0.8288056     -1.633494      10.79326  29.46946       13.33006      -1.962454      1.657611  
1 1 1 -16 20 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 22 1  o 6.270100  0.5131272     44.75940       9.191594  36.88541       8.632834      0.6223580      1.026254  
1 1 1 -16 22 2  o 3.855741  0.6999132     19.79531       7.571924  11.39194       8.325065      0.9692627      1.399826  
1 1 1 -16 22 3  o 3.817624  0.7147276     12.23277       8.647367  18.51620       7.536939      -0.7194842     1.429455  
1 1 1 -16 22 4  o 5.839635  0.5306094     46.04592       8.175593  25.08988       8.378867      1.858078       1.061219  
1 1 1 -16 22 5  o 1.903594  0.6216818     -10.93007      8.669745  -2.107587      7.424106      -0.2440365     1.243364  
1 1 1 -16 22 6  o 5.177036  0.5893945     31.41376       8.227852  25.64127       8.414043      0.5819150      1.178789  
1 1 1 -16 22 7  o 3.987804  0.7156014     20.25998       7.961007  15.06900       8.400912      0.6084052      1.431203  
1 1 1 -16 22 8  o 2.136350  0.6742824     1.799295       7.752245  -8.612632      9.595111      0.3319831      1.348565  
1 1 1 -16 22 9  o 4.962624  0.6827396     35.27082       8.629665  18.71198       10.70113      1.766641       1.365479  
1 1 1 -16 22 10 o 3.094501  0.7892603     14.62373       8.625374  4.834188       10.23077      0.7877767      1.578521  
1 1 1 -16 22 11 o 2.602753  0.7839353     2.334546       9.402961  7.276646       11.07422      -0.4298823     1.567871  
1 1 1 -16 22 12 o 3.815849  0.8940047     15.66556       10.01818  28.40617       12.98429      -0.9682373     1.788009  
1 1 1 -16 22 13 o 2.704616  0.8054459     -3.512545      10.46286  22.24500       13.57026      -1.508331      1.610892  
1 1 1 -16 22 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 24 1  o 7.893888  0.4974235     69.43562       10.71600  61.28013       11.25036      0.5437450      0.9948471 
1 1 1 -16 24 2  o 2.991619  0.7917435     5.806261       9.873734  10.55492       8.571551      -0.3303086     1.583487  
1 1 1 -16 24 3  o 2.758930  0.7726771     4.849886       9.404599  7.040605       8.601336      -0.1122977     1.545354  
1 1 1 -16 24 4  o 4.694706  0.8030208     28.20291       10.22477  23.24338       11.08338      0.5449482      1.606042  
1 1 1 -16 24 5  o 3.694564  0.7876328     18.80074       9.071269  13.35980       8.917011      0.5793744      1.575266  
1 1 1 -16 24 6  o 4.819267  0.7022219     27.73041       8.956661  26.11392       9.611397      0.2171930      1.404444  
1 1 1 -16 24 7  o 8.937250  0.5351046     83.94510       13.29286  90.86569       13.49051      -0.3776644     1.070209  
1 1 1 -16 24 8  o 6.407537  0.6443281     46.88214       10.85383  48.80330       11.92042      -0.5223395E-01 1.288656  
1 1 1 -16 24 9  o 2.597463  0.7871315     8.296193       9.464179  -1.130555      12.25298      0.3587279      1.574263  
1 1 1 -16 24 10 o 2.728092  0.7984798     -4.506209      10.16303  21.79938       13.24439      -1.628209      1.596960  
1 1 1 -16 24 11 o 3.142591  0.8988514     15.54422       11.40261  16.53208       13.60925      -0.1586400E-01 1.797703  
1 1 1 -16 24 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 26 1  o 2.851239  0.7606170     15.64523       9.040297  -1.402818      10.00472      1.248868       1.521234  
1 1 1 -16 26 2  o 3.230343  0.8799536     20.01711       13.33461  7.539696       10.18076      0.9777484      1.759907  
1 1 1 -16 26 3  o 5.501697  0.7622670     33.88721       12.25445  40.46746       10.89727      -0.7568784     1.524534  
1 1 1 -16 26 4  o 2.992964  0.7560032     21.72760       10.01173  -4.775517      10.17124      1.931766       1.512006  
1 1 1 -16 26 5  f 3.006464  0.8150222     6.557305       10.15734  15.64153       9.928492      -0.7175215     1.630044  
1 1 1 -16 26 6  o 2.923096  0.8088648     18.60680       10.53783  1.213574       10.98319      1.194741       1.617730  
1 1 1 -16 26 7  o 2.058168  0.6789473     -18.13536      10.85437  6.703971       11.22656      -0.9322370     1.357895  
1 1 1 -16 26 8  o 2.339632  0.7584887     8.115613       11.21843  -6.391863      12.57379      0.5247390      1.516977  
1 1 1 -16 26 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 26 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 28 1  o 3.551819  1.019355      20.46548       16.00619  32.98300       16.53695      -0.6761650     2.038710  
1 1 1 -16 28 2  o 2.791168  0.9090252     9.780203       16.60213  11.21607       16.57360      -0.5072047E-01 1.818050  
1 1 1 -16 28 3  o 2.929622  1.019865      -8.226815      43.84429  23.49053       24.91753      -0.3284416     2.039730  
1 1 1 -16 28 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 28 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -16 28 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 1  1  f 1.703636  0.3507366     4.807673       1.921039  -0.9364848     2.570807      0.9435065      0.7014732 
1 1 1 -15 1  2  o 2.520886  0.3416457     6.437969       2.487430  6.686847       2.233801      -0.5666864E-01 0.6832914 
1 1 1 -15 1  3  o 15.95949  0.8835007     266.9403       39.52958  251.5522       39.57025      0.4857096      1.767001  
1 1 1 -15 1  4  o 14.73563  0.7819465     238.3226       32.31936  202.2478       32.25748      1.233490       1.563893  
1 1 1 -15 1  5  o 19.61783  1.081961      433.2598       59.46400  359.0346       59.34122      1.907727       2.163922  
1 1 1 -15 1  6  o 26.33169  1.508929      786.8589       111.3024  687.9740       111.1811      1.892335       3.017858  
1 1 1 -15 1  7  o 12.33772  0.6839219     172.1688       23.60874  137.2189       23.56511      1.429826       1.367844  
1 1 1 -15 1  8  o 20.04548  1.124104      454.0469       63.10069  381.5761       63.02416      1.823250       2.248209  
1 1 1 -15 1  9  o 7.424128  0.3924184     61.20424       9.033884  50.93078       7.455413      0.6799566      0.7848368 
1 1 1 -15 1  10 o 13.36281  0.5199108     178.6965       19.57923  181.8041       19.56894      -0.1167084     1.039822  
1 1 1 -15 1  11 o 11.11585  0.4323458     123.8389       13.53305  125.0607       13.54820      -0.5503760E-01 0.8646917 
1 1 1 -15 1  12 o 10.08742  0.4013846     102.2211       11.39961  102.7020       11.41215      -0.2383965E-01 0.8027692 
1 1 1 -15 1  13 o 10.39804  0.4179079     107.2784       12.23438  110.6646       12.24356      -0.1633226     0.8358158 
1 1 1 -15 1  14 o 4.288126  0.3940870     19.85023       4.631636  17.60665       4.688055      0.2682765      0.7881739 
1 1 1 -15 1  15 o 9.981789  0.4251603     99.29107       11.94023  102.2773       11.95330      -0.1500281     0.8503207 
1 1 1 -15 1  16 o 11.69764  0.4830056     135.5782       15.89497  142.6915       15.91972      -0.3048798     0.9660113 
1 1 1 -15 1  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 1  18 o 5.095438  0.5985004     36.50819       8.205059  18.35026       8.234491      1.833666       1.197001  
1 1 1 -15 1  19 o 9.009388  0.5082355     93.96919       12.84150  76.50262       12.76178      0.9757878      1.016471  
1 1 1 -15 1  20 o 2.379833  0.7300439     1.329645       9.034919  1.344715       9.166449      -0.1431431E-01 1.460088  
1 1 1 -15 1  21 o 2.724594  0.8030023     7.468116       10.21560  6.383909       10.33702      0.6672094E-01  1.606005  
1 1 1 -15 1  22 o 4.498709  0.8781530     22.43187       11.92872  40.88020       12.27371      -1.644001      1.756306  
1 1 1 -15 3  1  o 4.568088  0.2111207     20.64677       2.654032  21.31569       2.775139      -0.7249973E-01 0.4222413 
1 1 1 -15 3  2  o 13.63406  0.5035561     195.0271       19.37213  178.9581       19.30906      0.5910186      1.007112  
1 1 1 -15 3  3  o 27.90574  1.079751      764.8895       84.82143  828.4760       84.89042      -1.142991      2.159502  
1 1 1 -15 3  4  o 10.57273  0.4108020     110.1125       12.20933  114.8746       12.26175      -0.2256376     0.8216040 
1 1 1 -15 3  5  o 17.30157  0.6525968     297.3396       31.81141  309.1067       31.81984      -0.3410437     1.305194  
1 1 1 -15 3  6  o 9.294960  0.3636136     84.26667       9.514255  89.58984       9.524076      -0.2872931     0.7272272 
1 1 1 -15 3  7  o 11.18307  0.4320711     124.3287       13.60538  127.8659       13.62195      -0.1585298     0.8641421 
1 1 1 -15 3  8  f 20.60708  0.7876756     447.4429       45.73158  418.8846       45.71401      0.6951604      1.575351  
1 1 1 -15 3  9  o 7.864879  0.3763480     64.51069       7.177778  58.45233       10.19008      0.4158164      0.7526959 
1 1 1 -15 3  10 o 12.48814  0.6918266     157.4509       24.19081  159.8295       24.29144      -0.9493957E-01 1.383653  
1 1 1 -15 3  11 o 31.54884  1.811990      1095.317       160.2608  1052.337       160.2768      0.6862772      3.623980  
1 1 1 -15 3  12 o 17.69294  0.9764823     326.4208       48.43584  317.5979       48.51503      0.2517871      1.952965  
1 1 1 -15 3  13 o 10.31384  0.6012248     108.6180       17.23338  107.7476       17.53659      0.4561872E-01  1.202450  
1 1 1 -15 3  14 o 15.14440  0.8544219     231.9756       36.17738  241.5915       36.40234      -0.3165414     1.708844  
1 1 1 -15 3  15 o 13.24008  0.7634912     175.7813       28.11408  186.5018       28.55815      -0.4007223     1.526982  
1 1 1 -15 3  16 o 3.257355  0.7477974     5.491370       7.400909  16.31616       9.080194      -1.237726      1.495595  
1 1 1 -15 3  17 o 3.430772  0.8204482     6.821915       8.818994  17.54823       10.76366      -1.117858      1.640896  
1 1 1 -15 3  18 o 4.098889  0.8729909     11.28350       10.24939  27.21174       12.47891      -1.511473      1.745982  
1 1 1 -15 3  19 o 3.442322  0.8343692     13.44921       10.87653  12.80950       8.934135      0.1102860      1.668738  
1 1 1 -15 3  20 o 3.859538  0.7536822     27.87949       9.502162  6.408873       9.775423      2.094655       1.507364  
1 1 1 -15 3  21 o 2.140557  0.6962209     -11.99580      10.15091  4.842193       10.68368      -0.7749375     1.392442  
1 1 1 -15 3  22 o 4.492754  0.8704162     43.19615       12.23940  20.75325       12.58719      2.033463       1.740832  
1 1 1 -15 5  1  o 23.49096  0.8577105     545.1788       56.75212  576.2154       56.80870      -0.6622374     1.715421  
1 1 1 -15 5  2  o 8.956208  0.3587846     87.45288       8.503570  72.88388       9.605730      0.8261045      0.7175692 
1 1 1 -15 5  3  o 11.79987  0.4816113     135.6877       14.96601  146.1881       17.25854      -0.4312073     0.9632225 
1 1 1 -15 5  4  o 5.227625  0.2379683     24.88262       3.373919  30.13328       3.617712      -0.5026192     0.4759365 
1 1 1 -15 5  5  o 4.633316  0.2286438     20.42608       2.972118  22.71642       2.977683      -0.2486266     0.4572877 
1 1 1 -15 5  6  o 14.87847  0.5714305     219.3842       23.94653  228.7074       23.95993      -0.3142150     1.142861  
1 1 1 -15 5  7  o 9.372279  0.3663546     87.14948       9.658614  89.73685       9.687529      -0.1382774     0.7327093 
1 1 1 -15 5  8  o 3.542015  0.2708973     13.33981       2.680833  12.05880       2.655241      0.1828431      0.5417947 
1 1 1 -15 5  9  o 3.976692  0.2735618     17.97319       3.028682  13.85710       3.015730      0.5251257      0.5471236 
1 1 1 -15 5  10 f 2.014937  0.4386791     3.234423       2.674553  4.904727       2.861664      -0.3351367     0.8773582 
1 1 1 -15 5  11 o 26.99171  1.039279      722.4047       78.97785  773.5300       79.04672      -0.9497568     2.078558  
1 1 1 -15 5  12 o 21.28013  0.8174319     456.4780       49.00542  467.2486       49.02106      -0.2537114     1.634864  
1 1 1 -15 5  13 o 13.56606  0.5322923     186.2704       20.33262  186.1947       20.35597      0.2988200E-02  1.064585  
1 1 1 -15 5  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 5  15 o 12.05550  1.554326      156.3567       36.60514  ?              ?             ?              ?         
1 1 1 -15 5  16 o 2.031794  0.6078048     1.788738       5.941024  -1.108266      6.201289      0.1998185      1.215610  
1 1 1 -15 5  17 o 11.42552  0.5051934     139.8306       16.18580  128.3613       16.28350      0.5063711      1.010387  
1 1 1 -15 5  18 o 3.513126  0.6784486     22.67316       7.973111  1.511359       8.405167      2.158559       1.356897  
1 1 1 -15 5  19 o 2.980787  0.8392594     5.650463       8.568703  11.26973       13.79664      -0.7366445     1.678519  
1 1 1 -15 5  20 o 2.944633  0.8952324     3.434307       12.21391  9.854743       14.98977      -0.4953908     1.790465  
1 1 1 -15 5  21 o 3.353737  0.9846791     10.12725       14.44466  25.47911       17.01141      -0.8274943     1.969358  
1 1 1 -15 5  22 o 4.081392  1.186489      44.19432       25.03769  53.92709       21.14283      -0.8145809     2.372977  
1 1 1 -15 7  1  f 17.39135  0.6527783     308.6815       31.98565  304.2708       32.00347      0.1273052      1.305557  
1 1 1 -15 7  2  o 14.74585  0.5881886     224.4868       26.41751  216.6566       22.83114      0.2396868      1.176377  
1 1 1 -15 7  3  o 17.42511  0.6654429     322.2773       32.67736  293.4459       32.63006      0.8300496      1.330886  
1 1 1 -15 7  4  o 6.457062  0.2760987     42.04841       4.918078  41.81414       5.126152      0.1978607E-01  0.5521974 
1 1 1 -15 7  5  o 19.37648  0.7016822     398.3747       38.32554  364.5535       38.28476      0.8753577      1.403364  
1 1 1 -15 7  6  f 14.51282  0.5543316     207.6768       22.65375  218.3931       22.67603      -0.3702364     1.108663  
1 1 1 -15 7  7  o 37.57293  1.496296      1456.222       158.2589  1547.066       158.3765      -1.211552      2.992593  
1 1 1 -15 7  8  o 16.53763  0.6292054     280.6069       29.31570  273.2672       29.32630      0.2226611      1.258411  
1 1 1 -15 7  9  o 7.405421  0.3101423     60.29103       6.463964  49.84128       6.438646      0.7093123      0.6202846 
1 1 1 -15 7  10 o 14.96943  0.5740113     217.7133       24.18273  234.7346       24.22077      -0.5703196     1.148023  
1 1 1 -15 7  11 o 20.62598  0.7879548     430.8231       45.78614  435.3299       45.80857      -0.1093929     1.575910  
1 1 1 -15 7  12 o 20.23246  0.7715671     426.4473       43.99076  408.3315       43.97461      0.4489695      1.543134  
1 1 1 -15 7  13 f 7.205557  0.3543504     57.14814       7.129323  47.34931       7.189093      0.6857417      0.7087008 
1 1 1 -15 7  14 o 8.126231  0.3796781     65.44525       8.604258  68.05751       8.750519      -0.1599633     0.7593561 
1 1 1 -15 7  15 o 6.263015  0.4157555     41.91551       7.129969  37.70915       7.420768      0.3446044      0.8315109 
1 1 1 -15 7  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 7  17 o 4.472868  0.6421999     24.12587       7.634586  18.37261       8.177569      0.6647698      1.284400  
1 1 1 -15 7  18 o 14.12347  0.6166463     220.5556       24.45428  205.1867       24.54845      0.5503320      1.233293  
1 1 1 -15 7  19 o 3.313165  0.7612433     20.35873       9.097857  2.402456       9.439907      1.639324       1.522487  
1 1 1 -15 7  20 o 2.680451  0.7875167     9.760844       9.729835  1.197041       10.55402      0.5158599      1.575033  
1 1 1 -15 7  21 o 3.728062  0.9084300     19.47390       11.27506  24.71732       12.03555      -0.3986665     1.816860  
1 1 1 -15 7  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 9  1  o 1.743919  0.3668947     3.992661       2.003250  2.029435       1.987989      0.4433272      0.7337894 
1 1 1 -15 9  2  o 5.160623  0.2443463     30.39128       3.678311  23.30788       3.394377      0.6877226      0.4886927 
1 1 1 -15 9  3  o 17.93601  0.6820104     320.5961       34.45829  333.2794       34.47517      -0.3545295     1.364021  
1 1 1 -15 9  4  o 20.94723  0.8117015     464.9966       47.88190  431.3131       47.88937      0.8070372      1.623403  
1 1 1 -15 9  5  o 23.19992  0.8975237     558.4396       58.67768  545.3633       58.65665      0.2824838      1.795047  
1 1 1 -15 9  6  o 4.614989  0.2544087     21.48127       3.259684  21.44455       3.330667      0.4789838E-02  0.5088174 
1 1 1 -15 9  7  o 10.96018  0.4231454     124.4672       13.05301  117.3965       13.07500      0.3238109      0.8462908 
1 1 1 -15 9  8  o 9.895534  0.3893667     102.8904       10.84726  94.02560       10.84937      0.4497066      0.7787333 
1 1 1 -15 9  9  o 38.52507  1.523229      1560.212       165.2775  1571.747       165.3565      -0.1491581     3.046457  
1 1 1 -15 9  10 f 14.24935  0.5395193     203.2025       21.64709  206.8793       21.68175      -0.1291694     1.079039  
1 1 1 -15 9  11 o 12.19847  0.4756579     150.9242       16.31960  149.4535       16.37588      0.6086586E-01  0.9513158 
1 1 1 -15 9  12 o 14.59829  0.5581653     208.0383       22.91576  223.6416       22.98687      -0.5356773     1.116331  
1 1 1 -15 9  13 o 6.052624  0.3691502     39.33243       6.106310  34.54079       6.402731      0.4040547      0.7383004 
1 1 1 -15 9  14 o 6.043202  1.344813      ?              ?         39.66391       15.83514      ?              ?         
1 1 1 -15 9  15 f 5.421781  0.5044352     39.16463       7.048506  21.12226       7.538860      1.732797       1.008870  
1 1 1 -15 9  16 o 2.088212  0.6334404     3.324684       6.688831  -5.395859      7.407888      0.5103596      1.266881  
1 1 1 -15 9  17 o 8.313231  0.4855370     72.62320       11.11827  71.11890       11.52050      0.1032447      0.9710740 
1 1 1 -15 9  18 f 9.090598  0.5171769     92.17873       12.98650  82.77102       13.36410      0.5383607      1.034354  
1 1 1 -15 9  19 o 3.535652  0.8298927     11.42522       9.552881  19.54286       10.17185      -0.7773418     1.659785  
1 1 1 -15 9  20 o 3.289721  0.8660550     15.41145       10.34919  14.04625       11.31658      0.1226449      1.732110  
1 1 1 -15 9  21 o 7.219781  0.7384721     69.93567       14.28464  72.17007       15.02994      -0.2195374E-01 1.476944  
1 1 1 -15 9  22 o 4.886938  0.9075173     66.10499       14.47835  29.46852       15.65680      3.052318       1.815035  
1 1 1 -15 11 1  o 8.422449  0.3313908     75.52733       7.877812  67.05108       7.833440      0.5050248      0.6627815 
1 1 1 -15 11 2  o 17.28843  0.6359019     338.2446       30.92526  267.5520       30.80495      2.053197       1.271804  
1 1 1 -15 11 3  o 23.15232  0.8813274     532.7186       57.44930  564.0112       57.51914      -0.6773797     1.762655  
1 1 1 -15 11 4  o 16.50436  0.6306559     279.3539       29.31889  272.4483       29.33854      0.2099908      1.261312  
1 1 1 -15 11 5  o 19.29970  0.7432351     378.9527       40.40748  378.1262       40.42929      0.2164879E-01  1.486470  
1 1 1 -15 11 6  o 17.79089  0.6744805     329.2045       33.81555  311.9642       33.79922      0.4859928      1.348961  
1 1 1 -15 11 7  o 21.39069  0.8116595     465.8336       48.91658  465.3720       48.93773      0.1098570E-01  1.623319  
1 1 1 -15 11 8  o 26.37709  1.017825      732.0248       75.62565  695.7370       75.63420      0.6902509      2.035650  
1 1 1 -15 11 9  o 38.79193  1.520107      1584.505       166.0958  1607.378       166.1648      -0.2947730     3.040215  
1 1 1 -15 11 10 o 13.81876  0.5245537     203.5112       20.40738  182.0284       20.41154      0.7804471      1.049107  
1 1 1 -15 11 11 o 13.29204  0.5153114     190.6175       19.26897  166.4842       19.28155      0.9119472      1.030623  
1 1 1 -15 11 12 o 2.131582  0.5108390     8.573404       4.473857  -4.758183      4.923777      1.402331       1.021678  
1 1 1 -15 11 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 11 14 o 5.748359  0.4532340     26.15937       6.830781  41.75517       7.449393      -1.370519      0.9064680 
1 1 1 -15 11 15 o 6.659296  0.4550623     47.96601       8.226704  42.75267       8.700210      0.4073296      0.9101246 
1 1 1 -15 11 16 o 7.678833  0.4811890     59.33783       10.13107  63.11076       10.56028      -0.2354771     0.9623780 
1 1 1 -15 11 17 o 10.00941  0.5163494     109.0746       14.29075  101.9255       14.74164      0.3767513      1.032699  
1 1 1 -15 11 18 o 1.923901  0.6449243     -7.138368      8.953378  -10.32703      9.919786      0.2743277E-02  1.289849  
1 1 1 -15 11 19 o 2.250272  0.7230990     3.188649       9.827370  -7.865797      10.90994      0.4164698      1.446198  
1 1 1 -15 11 20 o 2.249150  0.7268310     -12.92787      11.12875  10.54675       12.08084      -1.019175      1.453662  
1 1 1 -15 11 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 13 1  o 1.423538  0.4067788     2.354006       2.944798  -0.7875894     2.444405      0.5479264      0.8135575 
1 1 1 -15 13 2  o 14.94347  0.5653435     246.9470       23.80733  203.7576       23.68983      1.451075       1.130687  
1 1 1 -15 13 3  o 29.93462  1.161455      934.2693       97.94658  918.2281       97.96933      0.2690080      2.322910  
1 1 1 -15 13 4  o 35.60646  1.407643      1352.788       141.2277  1302.400       141.1308      0.7087979      2.815286  
1 1 1 -15 13 5  o 7.889410  0.3558980     71.81715       7.685956  53.27391       7.993082      1.186920       0.7117959 
1 1 1 -15 13 6  o 12.51355  0.4877962     163.9031       17.13941  151.5988       17.24113      0.4941547      0.9755925 
1 1 1 -15 13 7  o 28.23532  1.086410      826.6380       86.42677  818.7067       86.44241      0.1410371      2.172821  
1 1 1 -15 13 8  o 27.42748  1.022673      749.4763       78.97259  801.1693       79.07823      -0.9443253     2.045345  
1 1 1 -15 13 9  o 6.610460  0.3311624     49.27959       6.033535  38.51958       6.214955      0.8230348      0.6623248 
1 1 1 -15 13 10 o 10.95660  0.4294310     118.9355       13.21297  123.5021       13.29581      -0.2083881     0.8588620 
1 1 1 -15 13 11 f 2.971198  0.5672387     9.199372       4.727754  9.313013       5.042279      -0.2228571E-01 1.134477  
1 1 1 -15 13 12 o 10.37797  0.5151839     120.4838       14.94488  98.47026       15.02035      1.070027       1.030368  
1 1 1 -15 13 13 o 12.70025  0.5135755     174.6401       18.25943  154.2803       18.44541      0.8082218      1.027151  
1 1 1 -15 13 14 o 7.221327  0.4499445     56.61748       8.822116  49.82386       9.368796      0.4875629      0.8998890 
1 1 1 -15 13 15 f 2.937499  0.7337213     7.632874       7.216676  9.310963       8.032221      -0.2281907     1.467443  
1 1 1 -15 13 16 o 11.04426  0.5143160     132.2961       15.75628  123.9156       16.19289      0.3972699      1.028632  
1 1 1 -15 13 17 o 2.903648  0.7923217     9.882274       8.791985  5.655418       9.934578      0.2792657      1.584643  
1 1 1 -15 13 18 o 2.739051  0.8049874     5.550656       9.692575  7.559649       10.93368      -0.2083155     1.609975  
1 1 1 -15 13 19 o 2.627413  0.8125859     5.339425       10.80179  6.712191       12.20388      -0.1375366     1.625172  
1 1 1 -15 13 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 15 1  f 7.358496  0.3244542     59.85131       6.742717  48.97142       6.660094      0.7431449      0.6489083 
1 1 1 -15 15 2  o 16.78619  0.6407759     302.8624       30.31923  266.9455       30.23513      1.073698       1.281552  
1 1 1 -15 15 3  o 6.199062  0.3087766     41.85181       5.442681  35.47428       5.297051      0.5165499      0.6175532 
1 1 1 -15 15 4  o 29.09566  1.128216      896.1166       92.51624  854.8138       92.42738      0.7111718      2.256433  
1 1 1 -15 15 5  o 13.35036  0.5209563     188.2630       19.56592  171.4179       19.59929      0.6336328      1.041913  
1 1 1 -15 15 6  o 28.11145  1.097882      847.6085       86.93893  791.2745       86.89989      1.005156       2.195763  
1 1 1 -15 15 7  o 8.662023  0.3679299     81.58664       8.921982  69.33755       8.991439      0.7116145      0.7358598 
1 1 1 -15 15 8  o 4.401078  0.4032381     24.28022       4.646681  14.79755       4.958529      1.119717       0.8064762 
1 1 1 -15 15 9  o 18.96829  0.7187951     376.9411       38.38300  360.1521       38.44800      0.4447687      1.437590  
1 1 1 -15 15 10 o 8.939296  0.4112071     95.45036       10.09947  66.46952       10.34008      1.637178       0.8224141 
1 1 1 -15 15 11 o 5.488873  0.4472556     37.44060       6.513001  23.73611       6.852877      1.289457       0.8945113 
1 1 1 -15 15 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 15 13 o 5.051947  0.5480278     31.26627       7.140422  21.10169       8.004272      1.072522       1.096056  
1 1 1 -15 15 14 o 3.607932  0.6906236     5.623830       7.176144  23.00518       8.508800      -1.963843      1.381247  
1 1 1 -15 15 15 o 4.994552  0.6685591     20.29465       8.500006  35.08463       9.673193      -1.439439      1.337118  
1 1 1 -15 15 16 o 4.601156  0.7500796     16.65676       9.075056  33.52390       10.42012      -1.662670      1.500159  
1 1 1 -15 15 17 o 2.072257  0.6820693     0.8099104      9.552331  -14.15149      10.83422      0.4696717      1.364139  
1 1 1 -15 15 18 o 2.674275  0.8032659     13.07990       10.65685  -1.411657      12.02841      0.7591511      1.606532  
1 1 1 -15 15 19 o 2.958828  0.9314502     19.94752       15.59132  11.07737       16.23747      0.3830356      1.862900  
1 1 1 -15 17 1  o 10.92177  0.4484149     122.1638       13.71548  118.5616       13.86857      0.1666498      0.8968298 
1 1 1 -15 17 2  o 9.642408  0.4324926     98.99476       12.84809  89.76886       10.83388      0.4629641      0.8649851 
1 1 1 -15 17 3  o 9.908533  0.4157882     107.5057       11.66234  90.38905       11.49289      0.8668977      0.8315765 
1 1 1 -15 17 4  o 18.94568  0.7343326     396.9513       39.16481  335.1679       39.08058      1.637404       1.468665  
1 1 1 -15 17 5  o 12.62239  0.5000362     174.3624       17.74671  147.6906       17.74820      1.061747       1.000072  
1 1 1 -15 17 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 17 7  o 18.19580  0.7046079     351.8694       36.04985  326.4895       36.16681      0.7015073      1.409216  
1 1 1 -15 17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 17 9  o 2.978831  0.6239454     8.936127       5.397773  9.556567       5.885411      -0.1015467     1.247891  
1 1 1 -15 17 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 17 11 o 12.39902  0.5274620     175.2839       18.28002  140.4723       18.40929      1.415157       1.054924  
1 1 1 -15 17 12 o 12.78940  0.5325155     185.5130       19.03758  153.0070       19.21255      1.282629       1.065031  
1 1 1 -15 17 13 o 3.627678  0.7213256     17.78146       7.495684  10.24678       8.615736      0.8446007      1.442651  
1 1 1 -15 17 14 o 2.259725  0.6996046     0.7039714      7.721733  -1.439491      9.502243      -0.7967527E-01 1.399209  
1 1 1 -15 17 15 o 2.486406  0.7284842     9.439905       8.507585  -7.459123      10.39639      0.8825195      1.456968  
1 1 1 -15 17 16 o 2.522729  0.7678754     -2.561238      9.708548  10.18002       11.17393      -0.8571947     1.535751  
1 1 1 -15 17 17 o 3.286123  0.8500615     24.76383       11.10309  3.703911       12.71669      1.495429       1.700123  
1 1 1 -15 17 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 19 1  o 5.309171  0.3835424     29.50348       5.545235  27.68374       5.816137      0.1779437      0.7670848 
1 1 1 -15 19 2  o 7.095432  0.3819402     51.09519       7.972598  50.85507       7.288347      0.9041800E-02  0.7638805 
1 1 1 -15 19 3  o 13.84371  0.5954387     192.5910       25.02847  197.7230       21.72518      -0.2269509     1.190877  
1 1 1 -15 19 4  o 10.73516  0.4748835     143.1968       15.35804  92.99225       13.19402      2.325546       0.9497671 
1 1 1 -15 19 5  o 14.38755  1.200137      287.6605       37.05750  155.0367       51.83608      5.162436       2.400273  
1 1 1 -15 19 6  o 5.567356  0.4219179     33.71041       6.379848  29.26343       6.685924      0.4119563      0.8438359 
1 1 1 -15 19 7  f 8.794557  0.4600055     97.13345       10.65476  60.82875       11.50306      2.102023       0.9200109 
1 1 1 -15 19 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 19 9  f 2.924726  0.6425416     14.71648       6.564482  -0.9674671E-01 7.108258      1.555240       1.285083  
1 1 1 -15 19 10 o 7.560389  0.4559297     53.99954       9.301177  64.04901       9.996845      -0.6525247     0.9118593 
1 1 1 -15 19 11 o 4.820755  0.6191021     31.16654       7.701103  17.69778       8.822466      1.467985       1.238204  
1 1 1 -15 19 12 o 4.886136  0.6601134     24.68664       8.232117  28.75154       9.434349      -0.3514291     1.320227  
1 1 1 -15 19 13 o 5.686585  0.6613407     52.78305       9.412194  20.13559       10.53951      2.980681       1.322681  
1 1 1 -15 19 14 o 2.838232  0.7929704     10.51661       8.824097  3.983815       10.67354      0.3921329      1.585941  
1 1 1 -15 19 15 o 6.254543  0.7053241     45.68898       11.20786  51.48952       13.13152      -0.2366714     1.410648  
1 1 1 -15 19 16 f 3.302186  0.7658735     31.95359       11.06055  -12.52503      13.37755      2.661449       1.531747  
1 1 1 -15 19 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 21 1  o 10.89090  0.5019952     119.3077       16.40373  122.6135       14.52253      -0.1818598     1.003990  
1 1 1 -15 21 2  o 2.289734  0.6405833     -4.008717      6.691222  7.775300       7.025393      -1.047338      1.281167  
1 1 1 -15 21 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 21 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 21 5  o 5.286267  0.4918410     25.65174       7.088435  32.01589       7.199669      -0.6130249     0.9836820 
1 1 1 -15 21 6  o 2.973505  0.6716183     5.492739       6.345547  12.56123       6.813850      -0.8709239     1.343237  
1 1 1 -15 21 7  o 3.428767  0.6939062     15.88805       6.824272  7.749875       8.258343      0.8957483      1.387812  
1 1 1 -15 21 8  o 3.988756  0.6863746     18.84282       7.163177  15.61186       8.542878      0.4096373      1.372749  
1 1 1 -15 21 9  o 3.898397  0.6922255     20.88567       7.506991  11.81806       8.383560      1.057350       1.384451  
1 1 1 -15 21 10 o 5.290623  0.6267254     40.53513       8.464252  19.96382       9.499434      2.047755       1.253451  
1 1 1 -15 21 11 o 2.864848  0.7728654     3.164027       8.189351  13.50667       10.01144      -0.9869995     1.545731  
1 1 1 -15 21 12 o 2.336975  0.7290820     1.771209       8.454192  -1.158184      10.66343      -0.4943023E-01 1.458164  
1 1 1 -15 21 13 o 2.815688  0.7749764     -2.737055      9.315660  19.58093       11.24932      -1.647037      1.549953  
1 1 1 -15 21 14 o 5.462171  0.8110279     28.92205       11.20818  53.58338       13.26474      -1.917547      1.622056  
1 1 1 -15 21 15 o 3.328867  0.9037493     25.23399       11.74128  13.04724       14.06931      0.9274887      1.807499  
1 1 1 -15 23 1  o 7.175312  0.4736784     63.17616       9.277045  43.05829       9.473381      1.430917       0.9473569 
1 1 1 -15 23 2  o 3.180336  0.7576627     12.19365       9.037440  9.176970       7.289366      0.3968624      1.515325  
1 1 1 -15 23 3  o 3.243150  0.7382391     6.019419       8.672652  14.75096       7.604917      -0.8667843     1.476478  
1 1 1 -15 23 4  o 2.856246  0.6988768     2.381664       7.088704  13.23567       7.660872      -1.159698      1.397754  
1 1 1 -15 23 5  o 7.215749  0.4837955     54.31501       9.798786  54.67831       9.713470      -0.2840654E-01 0.9675910 
1 1 1 -15 23 6  o 9.991357  0.4786917     110.3866       13.46350  98.22546       13.40262      0.6101295      0.9573835 
1 1 1 -15 23 7  o 5.250051  0.6195196     22.82978       8.592051  37.34780       9.015900      -1.398900      1.239039  
1 1 1 -15 23 8  o 3.066742  0.7429523     15.27112       7.695903  0.5268213      10.27540      1.148117       1.485905  
1 1 1 -15 23 9  o 3.410896  0.8152635     12.01482       8.503052  16.60606       10.37650      -0.4507616     1.630527  
1 1 1 -15 23 10 o 4.055236  0.6681271     37.01294       9.250200  -2.050362      10.79046      3.390407       1.336254  
1 1 1 -15 23 11 o 2.419418  0.7591186     -1.104873      9.408782  6.597809       11.74960      -0.5848863     1.518237  
1 1 1 -15 23 12 o 2.821851  0.8317328     12.79145       10.07010  4.351164       13.26005      0.4197139      1.663466  
1 1 1 -15 23 13 o 2.379009  0.7656515     -6.735035      10.76202  16.49779       14.21269      -1.116260      1.531303  
1 1 1 -15 23 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 25 1  o 3.764030  0.7562836     16.35245       8.038728  16.94544       8.879687      -0.4339917E-01 1.512567  
1 1 1 -15 25 2  o 9.063042  0.5982927     108.5366       17.26005  73.91014       13.25954      1.693795       1.196585  
1 1 1 -15 25 3  o 12.25636  0.5777509     178.2035       20.34852  149.0950       19.41036      1.142220       1.155502  
1 1 1 -15 25 4  o 5.287615  0.6634405     36.77786       9.836077  26.79289       9.217597      0.9187960      1.326881  
1 1 1 -15 25 5  o 3.107004  0.7843488     13.00693       8.670953  8.928486       8.914589      0.3845997      1.568698  
1 1 1 -15 25 6  o 8.729253  0.5718147     93.96498       14.99911  77.41433       13.01158      0.8065666      1.143629  
1 1 1 -15 25 7  o 4.240724  0.7917862     26.28150       9.530191  19.48526       10.06101      0.7544656      1.583572  
1 1 1 -15 25 8  o 4.681568  0.8081557     22.06154       10.15276  36.44053       11.33508      -1.300147      1.616311  
1 1 1 -15 25 9  o 2.736327  0.8016447     15.07574       10.11615  -3.765962      13.00129      0.9443883      1.603289  
1 1 1 -15 25 10 o 3.029351  0.8888512     10.55517       11.05714  20.19666       14.38634      -0.5489002     1.777702  
1 1 1 -15 25 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 27 1  o 2.563020  0.7706878     3.301788       9.460133  7.635470       10.18806      -0.3237427     1.541376  
1 1 1 -15 27 2  o 6.495065  0.7606896     61.60242       15.48585  48.90486       12.05347      0.5176578      1.521379  
1 1 1 -15 27 3  o 2.684062  0.8154200     12.19276       12.32964  2.213698       10.47407      0.6598679      1.630840  
1 1 1 -15 27 4  f 3.017703  0.9025590     9.173490       16.41011  13.19290       11.49588      -0.1362966     1.805118  
1 1 1 -15 27 5  o 3.185712  0.9780028     6.745342       17.94346  24.36773       16.37502      -0.7728872     1.956006  
1 1 1 -15 27 6  o 2.674922  0.8921742     6.542909       18.01650  2.146817       17.15154      0.1545557      1.784348  
1 1 1 -15 27 7  o 2.824415  0.9365193     17.44479       19.47227  6.154640       18.41422      0.3442963      1.873039  
1 1 1 -15 27 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -15 29 4  o 2.205055  0.7809805     7.822151       24.41578  -13.98975      16.81650      0.5007375      1.561961  
1 1 1 -14 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 0  5  o 2.553353  0.4141538     7.017252       1.948092  7.017252       1.948092      ?              ?         
1 1 1 -14 0  6  o 15.51670  0.8427143     243.8919       25.97483  243.8919       25.97483      ?              ?         
1 1 1 -14 0  7  o 18.25493  0.9834728     338.3526       35.66679  338.3526       35.66679      ?              ?         
1 1 1 -14 0  8  o 12.95892  0.7072412     170.0388       18.20454  170.0388       18.20454      ?              ?         
1 1 1 -14 0  9  o 10.24356  0.5745422     106.1600       11.68540  106.1600       11.68540      ?              ?         
1 1 1 -14 0  10 o 21.60439  1.183317      475.0165       50.77665  475.0165       50.77665      ?              ?         
1 1 1 -14 0  11 o 30.29286  1.656627      940.1177       99.67711  940.1177       99.67711      ?              ?         
1 1 1 -14 0  12 o 10.75800  0.6077840     117.0787       12.98087  117.0787       12.98087      ?              ?         
1 1 1 -14 0  13 o 17.84917  0.9722720     323.3563       34.47154  323.3563       34.47154      ?              ?         
1 1 1 -14 0  14 o 4.641199  0.5128514     22.36172       4.612292  22.36172       4.612292      ?              ?         
1 1 1 -14 0  15 o 17.49501  0.9604427     311.7437       33.37279  311.7437       33.37279      ?              ?         
1 1 1 -14 0  16 o 8.759342  0.5907211     78.13003       10.23893  78.13003       10.23893      ?              ?         
1 1 1 -14 0  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 0  18 o 15.19053  0.8760291     237.9193       26.41044  237.9193       26.41044      ?              ?         
1 1 1 -14 0  19 o 9.904960  0.7017943     101.5780       13.73911  101.5780       13.73911      ?              ?         
1 1 1 -14 0  20 o 6.285206  0.8436475     43.19768       10.06907  43.19768       10.06907      ?              ?         
1 1 1 -14 0  21 o 3.311979  1.457794      18.24834       10.11244  18.24834       10.11244      ?              ?         
1 1 1 -14 0  22 f 1.770533  1.172221      1.519614       10.87212  1.519614       10.87212      ?              ?         
1 1 1 -14 0  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 2  1  o 30.51760  1.129869      917.7761       97.11941  977.5197       97.18955      -0.9815964     2.259737  
1 1 1 -14 2  2  o 24.55939  0.9126849     652.7839       63.13862  568.0489       63.04993      1.731772       1.825370  
1 1 1 -14 2  3  o 27.34146  1.054342      765.4091       81.22531  757.6022       81.22717      0.1432131      2.108684  
1 1 1 -14 2  4  o 31.48446  1.400555      1036.805       107.4323  1007.696       151.8450      0.8949055      2.801110  
1 1 1 -14 2  5  o 25.88720  1.434764      773.8617       103.9493  625.5848       103.7553      2.889303       2.869528  
1 1 1 -14 2  6  o 22.54379  1.273230      554.3011       80.46399  506.9986       80.43568      1.056785       2.546459  
1 1 1 -14 2  7  f 4.712645  0.3290854     25.32184       4.334056  19.46454       4.278350      0.6300944      0.6581708 
1 1 1 -14 2  8  o 4.743071  0.3404221     25.81268       4.442983  19.48884       4.507527      0.6793131      0.6808441 
1 1 1 -14 2  9  o 15.89506  0.8861545     263.7888       39.50460  255.5059       39.52195      0.2624736      1.772309  
1 1 1 -14 2  10 o 25.91123  1.476963      738.6146       107.2791  683.1843       107.2418      1.077194       2.953926  
1 1 1 -14 2  11 o 28.24217  1.615707      880.8295       127.8984  816.2340       127.8734      1.151953       3.231413  
1 1 1 -14 2  12 o 22.88281  1.286209      560.2570       82.51923  532.0555       82.55759      0.6209738      2.572419  
1 1 1 -14 2  13 o 4.819969  0.4556156     16.82044       5.569437  30.97741       6.288018      -1.495517      0.9112312 
1 1 1 -14 2  14 o 13.69805  0.6791806     209.5108       29.00258  176.2630       23.76482      1.160590       1.358361  
1 1 1 -14 2  15 o 10.20550  0.4269329     104.8425       12.28598  105.7910       12.25099      -0.4696769E-01 0.8538658 
1 1 1 -14 2  16 o 9.460965  0.4271666     96.88193       11.36838  84.36895       11.34276      0.6647849      0.8543332 
1 1 1 -14 2  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 2  18 o 15.16747  0.6219845     238.2024       26.55248  243.7036       26.58201      -0.1811780     1.243969  
1 1 1 -14 2  19 o 2.517833  0.7188685     6.723769       8.026231  0.7711200      8.113914      0.4723692      1.437737  
1 1 1 -14 2  20 o 5.371505  0.6543642     31.11943       9.420170  34.20439       9.738516      -0.2700095     1.308728  
1 1 1 -14 2  21 o 6.929589  0.6105317     53.36672       11.65025  57.67617       11.74567      -0.3074351     1.221063  
1 1 1 -14 2  22 o 2.565974  0.7670945     -5.963845      10.93135  17.18677       11.20671      -1.275818      1.534189  
1 1 1 -14 2  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 4  1  o 26.20259  0.9685825     678.3572       71.48476  715.9266       71.54789      -0.7187626     1.937165  
1 1 1 -14 4  2  o 15.24977  0.5718375     238.4922       24.58655  230.0884       24.56120      0.2762465      1.143675  
1 1 1 -14 4  3  o 15.08380  0.6079876     233.0985       27.89142  227.0030       24.16659      0.1819889      1.215975  
1 1 1 -14 4  4  o 14.97002  0.5707663     214.9841       24.03772  236.9020       24.08470      -0.7345683     1.141533  
1 1 1 -14 4  5  o 21.43956  0.8201295     477.8625       49.55266  458.1730       49.52637      0.4604420      1.640259  
1 1 1 -14 4  6  o 14.02610  0.5356343     191.5760       21.15235  205.7790       21.17163      -0.5079481     1.071269  
1 1 1 -14 4  7  o 12.23643  0.4695158     149.0157       16.18292  153.1929       16.19266      -0.1711456     0.9390315 
1 1 1 -14 4  8  f 13.57441  0.5181733     189.7009       19.81915  182.6923       19.81783      0.2589540      1.036347  
1 1 1 -14 4  9  f 16.48246  0.6348782     274.9659       29.48379  275.8316       29.48792      -0.2631083E-01 1.269756  
1 1 1 -14 4  10 o 32.89056  1.284331      1087.704       118.9290  1165.652       119.0033      -1.188417      2.568661  
1 1 1 -14 4  11 o 13.86315  0.5367305     193.3221       20.95978  194.6703       20.97075      -0.4871016E-01 1.073461  
1 1 1 -14 4  12 o 28.52441  1.108964      834.8625       89.11987  844.4963       89.12971      -0.1692916     2.217928  
1 1 1 -14 4  13 o 7.825487  0.3442261     64.99564       7.558300  58.15532       7.590717      0.4395799      0.6884522 
1 1 1 -14 4  14 o 15.97274  0.7213491     257.3023       28.04893  267.8095       39.76992      -0.1942829     1.442698  
1 1 1 -14 4  15 o 5.091493  0.5692033     28.92447       7.407804  23.94534       8.580981      0.5327310      1.138407  
1 1 1 -14 4  16 o 5.243381  0.6385174     20.84205       8.201870  37.40268       9.962251      -1.569520      1.277035  
1 1 1 -14 4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 4  18 o 8.612245  0.6727203     61.86460       15.11244  96.66585       16.71174      -2.000416      1.345441  
1 1 1 -14 4  19 o 3.590908  0.8563219     1.851305       10.24907  27.07732       13.06694      -2.144458      1.712644  
1 1 1 -14 4  20 o 3.921980  0.9029899     28.68869       12.05979  5.847556       14.29466      1.730993       1.805980  
1 1 1 -14 4  21 o 5.138515  0.9639767     20.38795       14.14891  59.39354       16.79582      -2.841938      1.927953  
1 1 1 -14 4  22 o 6.852448  1.001865      46.04242       18.66556  115.7621       21.05518      -4.287228      2.003730  
1 1 1 -14 4  23 o 2.621245  0.8826122     2.633519       16.85363  28.65725       19.91067      -0.6902674     1.765224  
1 1 1 -14 6  1  o 24.76719  0.9109257     617.5441       63.57022  631.2095       63.60975      -0.2763752     1.821851  
1 1 1 -14 6  2  o 14.61669  0.5828596     228.9055       25.91003  204.4752       22.36190      0.8154379      1.165719  
1 1 1 -14 6  3  o 15.95370  0.6498500     242.7666       27.22101  274.9152       31.47778      -0.9798464     1.299700  
1 1 1 -14 6  4  o 6.922982  0.2789997     45.70988       5.375671  50.59850       5.498382      -0.3536227     0.5579995 
1 1 1 -14 6  5  o 7.025517  0.2842534     47.57127       5.618873  51.59603       5.625011      -0.2875462     0.5685067 
1 1 1 -14 6  6  o 27.11359  1.051815      740.9816       80.32587  779.9489       80.34192      -0.7208375     2.103629  
1 1 1 -14 6  7  o 23.50659  0.9082137     571.8885       60.14479  563.2507       60.16162      0.1844749      1.816427  
1 1 1 -14 6  8  o 9.853465  0.3858469     97.75022       10.71469  97.82104       10.70827      -0.3647895E-02 0.7716937 
1 1 1 -14 6  9  o 32.79087  1.284273      1095.838       118.6021  1147.865       118.6421      -0.7955305     2.568546  
1 1 1 -14 6  10 o 14.48067  0.5484136     205.5090       22.35221  217.7293       22.39446      -0.4230701     1.096827  
1 1 1 -14 6  11 o 27.87024  1.078099      799.3788       84.65685  799.4771       84.66642      -0.1677866E-02 2.156198  
1 1 1 -14 6  12 o 21.59633  0.8280945     479.9663       50.39670  471.7501       50.38778      0.1907229      1.656189  
1 1 1 -14 6  13 f 26.59275  1.031047      744.0823       77.25989  720.7604       77.23257      0.4395647      2.062093  
1 1 1 -14 6  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 6  15 o 3.142673  0.6948894     6.584024       6.375471  13.93161       7.689504      -0.9353366     1.389779  
1 1 1 -14 6  16 o 8.265142  0.4191478     71.01744       9.658244  67.82293       9.806331      0.1965241      0.8382957 
1 1 1 -14 6  17 o 13.86464  0.5754762     199.5024       22.41348  198.4446       22.52296      0.4066473E-01  1.150952  
1 1 1 -14 6  18 o 5.761945  0.5495496     36.98172       8.555812  33.03539       8.884020      0.3636527      1.099099  
1 1 1 -14 6  19 f 8.354800  0.5041884     65.49330       11.51847  82.33558       11.99892      -0.9974237     1.008377  
1 1 1 -14 6  20 o 5.598777  0.6824359     49.86564       10.12926  22.74760       10.51362      2.495196       1.364872  
1 1 1 -14 6  21 o 1.955280  0.6534389     1.943530       10.07949  -19.69685      10.75550      0.6908719      1.306878  
1 1 1 -14 6  22 f 3.531663  0.9321792     22.48071       12.15336  23.77969       12.87218      -0.3859940E-01 1.864358  
1 1 1 -14 6  23 o 2.603001  0.8342041     17.08688       12.97096  11.17429       13.80478      0.2692577      1.668408  
1 1 1 -14 8  1  o 15.02612  0.5499166     242.6363       23.27774  212.9816       23.25322      0.9904981      1.099833  
1 1 1 -14 8  2  o 3.719512  0.2337685     13.85456       2.754119  14.03186       2.203720      -0.3231564E-01 0.4675369 
1 1 1 -14 8  3  o 6.676173  0.2781043     45.09198       5.235632  44.54881       5.220633      0.4071684E-01  0.5562086 
1 1 1 -14 8  4  o 16.20190  0.6271886     261.0290       28.59307  271.3370       28.66267      -0.3185698     1.254377  
1 1 1 -14 8  5  o 12.00463  0.4526938     145.0422       15.31417  145.7246       15.31630      -0.2848907E-01 0.9053876 
1 1 1 -14 8  6  o 22.67741  0.8680835     527.7258       55.47453  526.2615       55.47028      0.3233895E-01  1.736167  
1 1 1 -14 8  7  o 17.71159  0.6786921     320.1331       33.86121  316.9309       33.88344      0.9085089E-01  1.357384  
1 1 1 -14 8  8  o 9.015054  0.3571838     82.56256       9.067053  80.98803       9.074670      0.8766040E-01  0.7143675 
1 1 1 -14 8  9  o 14.17303  0.5337680     206.5599       21.31665  198.8366       21.31797      0.2733068      1.067536  
1 1 1 -14 8  10 o 18.34500  0.6843523     332.5362       35.35459  349.2306       35.39773      -0.4561253     1.368705  
1 1 1 -14 8  11 o 17.13078  0.6396494     300.3954       30.86660  293.9879       30.89693      0.1877795      1.279299  
1 1 1 -14 8  12 o 13.16467  0.5087747     178.0018       18.85662  172.1712       18.88416      0.2223597      1.017549  
1 1 1 -14 8  13 o 13.97885  0.5405102     199.6932       21.26571  196.3696       21.31203      0.1196590      1.081020  
1 1 1 -14 8  14 o 6.038326  0.3749423     37.71540       6.236591  36.15185       6.443168      0.1334206      0.7498845 
1 1 1 -14 8  15 o 2.309764  0.6109033     6.553104       5.405459  0.6968526      5.846886      0.5817345      1.221807  
1 1 1 -14 8  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 8  17 o 8.837578  0.4662261     89.43205       11.46576  71.02011       11.58170      1.054232       0.9324523 
1 1 1 -14 8  18 o 3.237128  0.7589484     7.373007       7.956793  15.28872       8.659055      -0.8522567     1.517897  
1 1 1 -14 8  19 o 9.885245  0.5369641     115.3601       14.65516  94.41344       15.04379      1.090607       1.073928  
1 1 1 -14 8  20 o 3.279775  0.8291120     9.636018       9.543550  17.85683       10.31018      -0.7366516     1.658224  
1 1 1 -14 8  21 o 2.544929  0.7915927     7.462468       10.68027  2.884937       11.56931      0.2033791      1.583185  
1 1 1 -14 8  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 10 1  o 1.690750  0.3270266     5.611334       2.070345  -0.4948522     1.879631      1.268857       0.6540532 
1 1 1 -14 10 2  o 10.56044  0.4042059     122.7180       12.03978  101.7960       11.96106      0.9946908      0.8084117 
1 1 1 -14 10 3  o 25.70750  0.9950869     676.1779       72.04986  687.9356       72.10286      -0.2287803     1.990174  
1 1 1 -14 10 4  o 17.79500  0.6964998     337.1899       34.88310  306.1165       34.90711      0.8768250      1.393000  
1 1 1 -14 10 5  o 22.34330  0.8556269     506.2087       53.87146  515.1382       53.86666      -0.2004759     1.711254  
1 1 1 -14 10 6  o 17.77434  0.6743850     319.1450       33.77477  321.8448       33.78369      -0.7610034E-01 1.348770  
1 1 1 -14 10 7  o 9.021897  0.3568882     83.54220       9.064146  80.19547       9.074449      0.1861745      0.7137764 
1 1 1 -14 10 8  o 27.85342  1.074069      796.1808       84.26632  800.2870       84.32585      -0.7336371E-01 2.148137  
1 1 1 -14 10 9  f 7.167823  0.3069624     53.10031       6.182943  50.18607       6.201767      0.2042621      0.6139247 
1 1 1 -14 10 10 o 2.988071  0.3974025     14.21301       3.193571  4.119769       3.447507      1.651146       0.7948050 
1 1 1 -14 10 11 o 23.30055  0.8842523     559.9370       58.05896  553.4359       58.06371      0.1399630      1.768505  
1 1 1 -14 10 12 o 2.012328  0.4950409     -2.278264      3.910627  7.545134       4.343223      -1.286741      0.9900818 
1 1 1 -14 10 13 o 17.22955  0.6602455     312.3401       32.04525  294.0145       32.04496      0.5336214      1.320491  
1 1 1 -14 10 14 o 2.454098  0.6153061     3.809135       5.176349  7.002729       5.648334      -0.4413319     1.230612  
1 1 1 -14 10 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 10 16 o 8.692122  0.4559240     79.83028       10.92719  75.04424       11.33380      0.2857696      0.9118481 
1 1 1 -14 10 17 o 4.981806  0.6260585     34.21593       8.249123  18.46863       8.806348      1.638787       1.252117  
1 1 1 -14 10 18 o 2.828999  0.7659543     9.193565       8.365782  5.054988       8.981292      0.3174880      1.531909  
1 1 1 -14 10 19 o 4.795993  0.7662926     30.05231       9.812503  25.53241       10.66928      0.5313937      1.532585  
1 1 1 -14 10 20 o 2.741006  0.8079236     2.750328       10.18151  13.25187       11.26140      -0.7249094     1.615847  
1 1 1 -14 10 21 o 3.551024  0.9022067     29.50579       11.94944  14.32164       12.97435      1.216054       1.804413  
1 1 1 -14 10 22 o 2.332467  0.7807054     5.849204       13.04324  6.309543       14.37996      -0.3743127E-01 1.561411  
1 1 1 -14 12 1  o 1.875294  0.3784794     3.282095       2.121137  3.919874       2.102369      -0.1425761     0.7569587 
1 1 1 -14 12 2  o 17.33319  0.6636437     326.4394       32.39816  282.2894       32.33764      1.278711       1.327287  
1 1 1 -14 12 3  o 3.803638  0.2607968     15.90839       2.769326  13.23940       2.756400      0.3552754      0.5215935 
1 1 1 -14 12 4  o 3.955560  0.2615175     17.42466       2.778027  13.89988       2.991758      0.4559939      0.5230350 
1 1 1 -14 12 5  o 27.13690  1.047150      777.6342       80.08459  736.5662       80.01117      0.7585201      2.094299  
1 1 1 -14 12 6  o 7.429421  0.3110662     56.20075       6.454789  54.78277       6.560345      0.9648232E-01  0.6221324 
1 1 1 -14 12 7  f 4.631200  0.2837994     26.15435       3.601512  17.09854       3.646033      0.9924208      0.5675989 
1 1 1 -14 12 8  o 15.34160  0.5838021     243.3750       25.22835  232.2954       25.24056      0.3623352      1.167604  
1 1 1 -14 12 9  o 23.42564  0.8830263     573.5585       58.29074  548.9547       58.28029      0.5266928      1.766053  
1 1 1 -14 12 10 o 4.569403  0.3394759     21.86846       4.209340  20.37523       4.438528      0.1692915      0.6789517 
1 1 1 -14 12 11 o 21.75384  0.8250557     499.2260       50.57861  472.9144       50.55333      0.6064358      1.650111  
1 1 1 -14 12 12 o 3.967005  0.4630504     17.97854       4.808732  14.04261       5.247195      0.5227234      0.9261008 
1 1 1 -14 12 13 o 11.65464  0.4685009     148.8651       15.32313  126.4869       15.38142      0.9656460      0.9370018 
1 1 1 -14 12 14 o 13.58127  1.773163      ?              ?         207.6661       47.01455      ?              ?         
1 1 1 -14 12 15 o 6.643900  0.4677671     50.83057       8.359461  39.30637       8.905335      0.8967977      0.9355343 
1 1 1 -14 12 16 o 3.692961  0.7260489     16.68244       7.596970  13.11146       8.322852      0.4166534      1.452098  
1 1 1 -14 12 17 o 6.847180  0.5472998     43.83201       10.03238  56.42265       10.70436      -0.9030021     1.094600  
1 1 1 -14 12 18 o 4.768033  0.7499564     21.13581       9.356048  33.14894       10.44798      -1.148428      1.499913  
1 1 1 -14 12 19 o 3.543332  0.8693005     17.38355       10.21361  16.96240       11.14424      0.6602953E-01  1.738601  
1 1 1 -14 12 20 o 4.571906  0.9097863     32.63791       11.73882  33.24860       12.90332      0.1205111      1.819573  
1 1 1 -14 12 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 14 1  o 10.01414  0.3945427     105.3945       11.14605  96.31799       11.10217      0.4546861      0.7890854 
1 1 1 -14 14 2  o 13.14701  0.5358413     176.7709       18.57631  171.5194       21.40012      0.2192759      1.071683  
1 1 1 -14 14 3  f 22.82647  0.8703616     524.8657       55.97019  537.7648       55.99388      -0.2832116     1.740723  
1 1 1 -14 14 4  f 21.77472  0.8173040     489.5779       50.16553  475.4079       50.13799      0.3261304      1.634608  
1 1 1 -14 14 5  o 8.347413  0.3627204     71.59330       7.952976  68.17847       9.230207      0.2144322      0.7254408 
1 1 1 -14 14 6  o 33.75183  1.330807      1214.090       126.5623  1167.359       126.4826      0.6936268      2.661614  
1 1 1 -14 14 7  o 4.526056  0.3141868     18.75857       3.862474  22.67060       4.060266      -0.4345170     0.6283736 
1 1 1 -14 14 8  o 12.32089  0.4772312     166.3021       16.53028  139.7764       16.53679      1.081680       0.9544625 
1 1 1 -14 14 9  o 13.04883  0.5048047     176.8635       18.52303  167.4428       18.58789      0.3627585      1.009609  
1 1 1 -14 14 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 14 11 f 2.901374  0.5306166     13.44100       4.690014  2.586130       5.179499      1.478663       1.061233  
1 1 1 -14 14 12 o 16.73076  0.6450787     305.5483       30.36406  268.9371       30.38770      1.099236       1.290157  
1 1 1 -14 14 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 14 14 o 5.923551  0.4947709     29.64692       7.690331  43.16487       8.428339      -1.143087      0.9895418 
1 1 1 -14 14 15 o 7.893826  0.4750366     67.15575       10.15952  61.84225       10.87276      0.3612105      0.9500732 
1 1 1 -14 14 16 o 2.540713  0.7388613     5.135314       8.030031  1.691650       9.249771      0.1366878      1.477723  
1 1 1 -14 14 17 o 4.527096  0.7481351     15.00041       9.195094  33.95016       10.25666      -1.888403      1.496270  
1 1 1 -14 14 18 o 5.233112  0.7664487     38.29328       10.58099  29.46619       11.70425      0.9658459      1.532897  
1 1 1 -14 14 19 o 2.270041  0.7429512     2.279187       10.70886  -4.500635      12.15505      0.1778971      1.485902  
1 1 1 -14 14 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 16 1  o 3.339847  0.3662589     12.54570       3.248735  10.06789       3.441453      0.3872350      0.7325178 
1 1 1 -14 16 2  o 21.00556  0.8070444     476.9507       47.75008  421.0680       47.68376      1.335245       1.614089  
1 1 1 -14 16 3  o 7.190271  0.3271586     56.13279       6.669505  47.84870       6.544654      0.5784090      0.6543172 
1 1 1 -14 16 4  o 9.215899  0.3780463     91.60359       9.755373  79.13428       9.840823      0.6806050      0.7560925 
1 1 1 -14 16 5  o 25.47932  0.9936687     707.5906       71.32759  629.8961       71.19799      1.529654       1.987337  
1 1 1 -14 16 6  o 14.03809  0.5488148     192.2611       21.57221  206.6624       21.82321      -0.5126825     1.097630  
1 1 1 -14 16 7  o 23.90782  0.8925284     619.8463       60.12049  557.3690       60.06103      1.310891       1.785057  
1 1 1 -14 16 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 16 9  o 14.04188  0.5407849     210.8218       21.34976  189.5376       21.40972      0.7616397      1.081570  
1 1 1 -14 16 10 o 9.063473  0.4155821     93.33915       10.41160  72.75687       10.67914      1.147506       0.8311642 
1 1 1 -14 16 11 o 5.603878  0.4349141     35.17665       6.550436  28.53818       6.975224      0.6134336      0.8698283 
1 1 1 -14 16 12 o 6.439072  0.4490891     48.07137       7.765893  36.24027       8.280972      0.9473503      0.8981783 
1 1 1 -14 16 13 o 5.517960  0.5204026     32.37075       7.498063  31.24599       8.418153      0.1356616      1.040805  
1 1 1 -14 16 14 o 7.770802  0.4850880     65.22305       10.11479  60.30079       11.03474      0.3505341      0.9701759 
1 1 1 -14 16 15 o 3.953660  0.6869898     3.812424       8.206429  31.68992       9.442302      -2.832511      1.373980  
1 1 1 -14 16 16 o 4.250048  0.8008680     25.67775       9.589517  17.81002       10.54935      0.8584171      1.601736  
1 1 1 -14 16 17 o 2.481410  0.7689370     6.063906       9.914609  -1.840673      11.20860      0.3364290      1.537874  
1 1 1 -14 16 18 o 2.530193  0.7946132     1.521211       10.78704  9.067620       12.20386      -0.4520615     1.589226  
1 1 1 -14 16 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 18 1  o 8.764092  0.3786008     77.62143       9.270519  77.30473       9.411391      0.1927713E-01  0.7572016 
1 1 1 -14 18 2  o 20.04206  0.7765883     446.3210       43.83924  375.0332       43.68679      1.785257       1.553177  
1 1 1 -14 18 3  o 10.69993  0.4226685     113.9854       12.70307  117.1653       12.77693      -0.1484766     0.8453371 
1 1 1 -14 18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 18 5  o 20.70170  0.8038287     479.8613       46.85638  401.4773       46.70700      1.900360       1.607657  
1 1 1 -14 18 6  o 21.05682  0.8684181     469.1259       48.15820  447.8554       55.60473      0.6242552      1.736836  
1 1 1 -14 18 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 18 8  o 8.925174  0.4155056     95.81876       10.23346  65.97276       10.37597      1.687820       0.8310111 
1 1 1 -14 18 9  o 5.073654  0.4568443     27.96315       6.168215  24.68077       6.652415      0.3429276      0.9136887 
1 1 1 -14 18 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 18 11 o 9.364856  0.4580409     99.60115       11.79446  79.78206       12.23358      1.076791       0.9160818 
1 1 1 -14 18 12 o 8.305701  0.4643213     79.58509       10.47339  62.44400       11.07019      1.060988       0.9286425 
1 1 1 -14 18 13 o 5.424958  0.6008130     37.63176       8.274624  24.54403       9.579403      1.318321       1.201626  
1 1 1 -14 18 14 o 4.823274  0.6996654     19.31072       8.461830  34.37668       10.05823      -1.455149      1.399331  
1 1 1 -14 18 15 o 2.765913  0.7845591     9.953542       8.917879  2.698837       10.43188      0.4390866      1.569118  
1 1 1 -14 18 16 o 2.263757  0.7130316     -11.86021      9.780787  10.42604       11.52012      -1.197014      1.426063  
1 1 1 -14 18 17 o 1.891697  0.6553455     -13.47741      11.00089  -11.26069      12.66453      -0.1978999     1.310691  
1 1 1 -14 18 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 20 1  o 2.162208  0.6601591     1.550470       7.697498  -2.876048      7.237758      0.3799707      1.320318  
1 1 1 -14 20 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 20 3  o 9.498940  0.6903026     ?              ?         91.87125       13.02477      ?              ?         
1 1 1 -14 20 4  o 2.891679  0.5620211     1.422971       5.325906  14.67871       5.520470      -1.723823      1.124042  
1 1 1 -14 20 5  o 12.90240  0.5178599     196.2876       18.75132  143.7391       18.60883      2.046267       1.035720  
1 1 1 -14 20 6  o 16.08524  0.6248737     293.7939       28.25528  238.8188       28.20823      1.716748       1.249747  
1 1 1 -14 20 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 20 8  f 4.213948  0.5684251     19.04808       5.938615  18.51633       7.418727      0.1120792      1.136850  
1 1 1 -14 20 9  o 4.555616  0.6310161     22.42730       8.083290  22.31163       7.620457      -0.4931892E-02 1.262032  
1 1 1 -14 20 10 o 2.640599  0.7037807     3.212977       6.780867  8.963766       7.880533      -0.6592492     1.407561  
1 1 1 -14 20 11 o 7.043050  0.4978055     53.31598       9.211561  50.82439       10.46539      0.2289373      0.9956110 
1 1 1 -14 20 12 o 2.902379  0.7566975     10.99765       7.811212  4.572900       9.217260      0.4980156      1.513395  
1 1 1 -14 20 13 o 5.148992  0.6990600     29.65734       9.176613  32.70030       10.59253      -0.1789505     1.398120  
1 1 1 -14 20 14 o 2.619845  0.7656772     10.33934       8.926489  -1.962488      10.95747      0.6592145      1.531354  
1 1 1 -14 20 15 o 3.541540  0.8780848     11.95214       10.25250  27.11464       12.35026      -1.188816      1.756170  
1 1 1 -14 20 16 o 2.688170  0.8361077     4.977285       11.41874  15.25999       13.56137      -0.5572433     1.672215  
1 1 1 -14 20 17 o 2.612071  1.319495      ?              ?         9.955564       33.08236      ?              ?         
1 1 1 -14 22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 22 2  o 6.500598  0.4824459     49.30643       9.533668  38.44994       8.010977      0.8078609      0.9648919 
1 1 1 -14 22 3  o 4.387597  0.5686558     24.57131       6.965189  15.80472       6.595103      1.008834       1.137312  
1 1 1 -14 22 4  o 3.577252  0.6206446     17.52718       6.286835  9.110300       6.627576      1.073840       1.241289  
1 1 1 -14 22 5  o 3.383720  0.6506560     8.495889       6.453136  15.84748       6.647489      -0.9348207     1.301312  
1 1 1 -14 22 6  o 2.548993  0.6623015     0.7711903      6.549961  9.700730       6.821893      -0.9325004     1.324603  
1 1 1 -14 22 7  o 6.679681  0.4720760     49.88745       8.469264  42.28679       9.118382      0.5994776      0.9441519 
1 1 1 -14 22 8  o 2.500330  0.7079113     6.061103       7.003470  0.8548822      8.674398      0.2521354      1.415823  
1 1 1 -14 22 9  o 7.894576  0.4895427     74.77951       10.45951  55.88119       11.01611      1.237932       0.9790854 
1 1 1 -14 22 10 o 5.449869  0.6254006     33.81125       8.707855  32.17920       10.08513      0.2486779      1.250801  
1 1 1 -14 22 11 f 2.914424  0.7282336     -5.705373      8.108768  22.32556       10.76495      -2.321276      1.456467  
1 1 1 -14 22 12 o 2.715244  0.7536107     13.71015       8.635354  -5.178771      11.23276      1.094304       1.507221  
1 1 1 -14 22 13 o 3.785947  0.8748592     20.20263       9.946877  21.97287       11.84801      -0.3092488E-01 1.749718  
1 1 1 -14 22 14 o 2.771472  0.8281964     3.058471       10.76275  19.26445       12.78616      -0.9768107     1.656393  
1 1 1 -14 22 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 24 1  o 4.571455  0.6037165     14.16165       7.236670  31.15737       7.833982      -1.852952      1.207433  
1 1 1 -14 24 2  o 1.934826  0.6064711     5.498114       9.684083  -18.28024      7.436351      1.444758       1.212942  
1 1 1 -14 24 3  o 4.319616  0.7158102     24.27612       9.238873  18.07459       8.011193      0.6384599      1.431620  
1 1 1 -14 24 4  o 8.075128  0.4740781     79.13414       10.75218  57.31021       10.53730      1.359220       0.9481561 
1 1 1 -14 24 5  o 9.643275  0.5179510     107.7039       13.01550  87.56654       15.02567      1.143116       1.035902  
1 1 1 -14 24 6  o 6.176526  0.5299272     39.48317       8.941855  42.66489       9.187945      -0.2486148     1.059854  
1 1 1 -14 24 7  f 11.11038  0.5280700     144.8899       16.30169  120.1517       16.60131      1.137494       1.056140  
1 1 1 -14 24 8  o 3.060559  0.7612047     15.68426       8.031304  0.3775563      11.00330      1.116981       1.522409  
1 1 1 -14 24 9  o 2.987597  0.8014037     4.769362       8.718490  16.87061       10.82581      -1.062237      1.602807  
1 1 1 -14 24 10 o 1.996822  0.6688507     -8.600014      9.050443  -3.107352      11.35179      -0.4445885     1.337701  
1 1 1 -14 24 11 o 4.071086  0.8859168     23.85033       10.06191  26.71918       12.88483      0.1981154E-01  1.771834  
1 1 1 -14 24 12 o 3.035685  0.8796365     11.68759       10.55286  20.07051       13.95835      -0.4664233     1.759273  
1 1 1 -14 24 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 26 1  o 10.19768  0.5406846     132.7379       15.17746  94.13526       15.41877      1.928034       1.081369  
1 1 1 -14 26 2  o 8.493808  0.6121488     102.8298       17.22492  63.41475       12.13066      1.956626       1.224298  
1 1 1 -14 26 3  o 3.664138  0.8454334     19.30411       11.43156  15.47831       9.009598      0.3100420      1.690867  
1 1 1 -14 26 4  o 3.733232  0.7782654     23.91413       9.327145  10.66998       9.201488      1.355900       1.556531  
1 1 1 -14 26 5  o 5.788929  0.6796871     47.64289       11.05136  31.76755       10.27562      1.329574       1.359374  
1 1 1 -14 26 6  o 2.147987  0.6681910     8.489641       9.085157  -14.25684      9.618834      1.075922       1.336382  
1 1 1 -14 26 7  o 9.506168  0.5541365     121.2485       14.47253  86.49998       14.68258      1.872419       1.108273  
1 1 1 -14 26 8  o 2.222202  0.7238395     1.470150       9.925381  -3.296617      11.33168      0.1037641      1.447679  
1 1 1 -14 26 9  o 2.675466  0.8841841     3.882751       17.95133  7.491417       15.51685      -0.5485601E-01 1.768368  
1 1 1 -14 26 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 28 1  o 3.816698  0.9436563     38.94047       14.32663  10.13428       14.58405      1.973089       1.887313  
1 1 1 -14 28 2  o 5.443433  1.156698      75.42635       21.38906  43.63186       18.10186      1.683087       2.313397  
1 1 1 -14 28 3  f 2.731646  0.8701844     30.18935       18.42093  -16.17550      15.78760      1.616720       1.740369  
1 1 1 -14 28 4  o 3.806265  1.045110      50.16235       18.66302  15.15223       17.34197      1.806426       2.090221  
1 1 1 -14 28 5  o 2.780423  0.9480783     13.22795       19.48558  0.8802671      27.36123      0.1673796      1.896157  
1 1 1 -14 28 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -14 28 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 1  1  o 13.27544  1.021652      178.2188       26.91717  ?              ?             ?              ?         
1 1 1 -13 1  2  o 17.77224  1.136915      333.4863       48.85702  302.1429       69.04260      1.051239       2.273830  
1 1 1 -13 1  3  o 29.37780  1.634468      946.1656       134.6394  840.9459       134.4772      1.803728       3.268937  
1 1 1 -13 1  4  o 21.92850  1.175602      542.8926       72.21624  439.2620       72.05343      2.383043       2.351203  
1 1 1 -13 1  5  o 6.431298  0.3608937     44.75292       6.497908  38.44217       6.501241      0.4949461      0.7217873 
1 1 1 -13 1  6  o 36.85135  2.166416      1659.889       222.9060  1329.124       222.7041      4.534337       4.332831  
1 1 1 -13 1  7  o 22.24885  1.246252      561.8266       77.63763  470.4205       77.54919      2.072042       2.492504  
1 1 1 -13 1  8  o 20.45837  1.140978      462.6837       65.44322  408.8497       65.36216      1.325285       2.281957  
1 1 1 -13 1  9  o 20.80370  1.153477      483.9576       67.24863  417.8347       67.17565      1.601730       2.306954  
1 1 1 -13 1  10 o 17.59676  0.7271380     317.3831       38.92464  313.1941       33.70211      0.7481626E-01  1.454276  
1 1 1 -13 1  11 o 19.82428  0.7622669     391.9971       42.56661  406.7791       42.58366      -0.3738774     1.524534  
1 1 1 -13 1  12 o 10.47348  0.4082591     110.5071       12.04328  110.3660       12.05123      0.6802993E-02  0.8165182 
1 1 1 -13 1  13 o 14.27030  0.5488128     209.3308       22.06807  202.1030       22.06295      0.2540162      1.097626  
1 1 1 -13 1  14 o 8.727530  0.3697294     73.35553       9.055353  80.02976       9.103750      -0.3836731     0.7394587 
1 1 1 -13 1  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 1  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 1  17 f 6.090371  0.4479012     36.55479       7.588184  39.38489       7.608626      -0.2348061     0.8958025 
1 1 1 -13 1  18 o 6.179168  0.4796070     42.10232       8.167496  36.61100       8.290321      0.4548489      0.9592140 
1 1 1 -13 1  19 o 13.33176  0.5845671     200.2309       21.91595  174.9364       21.89164      0.9530391      1.169134  
1 1 1 -13 1  20 o 2.016489  0.6510631     -2.526496      8.235442  -4.767824      8.316415      0.1074816      1.302126  
1 1 1 -13 1  21 o 2.036934  0.6641666     -8.106342      9.017832  0.2892569      9.127631      -0.4093933     1.328333  
1 1 1 -13 1  22 o 3.615467  0.8232185     9.468198       10.36080  28.59414       10.70552      -1.686674      1.646437  
1 1 1 -13 1  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 3  1  o 32.08541  1.151553      1019.696       104.0899  1074.195       104.1871      -0.8512456     2.303106  
1 1 1 -13 3  2  o 14.44943  0.5331565     204.1820       21.71158  215.7174       21.70581      -0.4004338     1.066313  
1 1 1 -13 3  3  o 6.581271  0.2652630     43.29770       4.886902  43.69252       4.948237      -0.2975008E-01 0.5305260 
1 1 1 -13 3  4  o 7.194738  0.2830862     51.62745       5.728621  52.34425       5.747262      -0.4987153E-01 0.5661724 
1 1 1 -13 3  5  o 24.02683  0.9194713     599.7332       62.25354  575.7755       62.23253      0.5000021      1.838943  
1 1 1 -13 3  6  o 14.86361  0.5661128     215.2803       23.68996  230.7975       23.71518      -0.5236309     1.132226  
1 1 1 -13 3  7  o 15.73417  0.6038764     250.6101       26.76995  250.8979       26.77711      -0.9119807E-02 1.207753  
1 1 1 -13 3  8  o 9.822940  0.3839160     93.34811       10.61004  100.8935       10.62986      -0.3853637     0.7678319 
1 1 1 -13 3  9  o 16.73530  0.7442092     283.6682       30.34832  289.3961       42.93572      -0.4750818E-01 1.488418  
1 1 1 -13 3  10 o 14.60163  0.8014687     224.1316       32.81396  211.4631       32.84653      0.4370478      1.602937  
1 1 1 -13 3  11 o 24.30702  1.380504      638.3502       94.07379  601.1739       94.08025      0.7703372      2.761007  
1 1 1 -13 3  12 o 12.55834  0.6989116     161.0669       24.55606  159.7371       24.69521      0.5451604E-01  1.397823  
1 1 1 -13 3  13 o 19.22954  1.059482      378.4074       57.09599  386.6221       57.23837      -0.2132868     2.118964  
1 1 1 -13 3  14 o 19.09628  1.064613      379.6969       56.97572  380.2404       57.09908      -0.1257378E-01 2.129225  
1 1 1 -13 3  15 o 14.23850  0.9642932     219.8726       33.02114  197.5721       46.98140      1.063540       1.928586  
1 1 1 -13 3  16 o 5.769169  1.175528      35.66848       13.10271  ?              ?             ?              ?         
1 1 1 -13 3  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 3  18 o 5.157097  0.7441344     37.56819       10.10169  18.24103       11.80645      1.871814       1.488269  
1 1 1 -13 3  19 o 9.052273  0.5643669     94.86967       16.81609  81.59469       12.58652      0.5701792      1.128734  
1 1 1 -13 3  20 o 2.015008  0.6504674     0.5254123      8.375812  -9.016967      8.642971      0.4507695      1.300935  
1 1 1 -13 3  21 o 2.009773  0.6555501     2.600256       9.194817  -13.18986      9.464073      0.6689911      1.311100  
1 1 1 -13 3  22 o 4.188218  0.8554401     31.73576       10.93111  20.41668       11.16109      1.115397       1.710880  
1 1 1 -13 3  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 5  1  o 9.653505  0.3543611     89.08418       9.605228  97.95814       9.667165      -0.4609370     0.7087222 
1 1 1 -13 5  2  o 35.54363  1.375639      1317.112       137.7612  1285.347       137.7605      0.4482463      2.751279  
1 1 1 -13 5  3  o 8.482944  0.3243495     68.70604       7.701511  75.77347       7.794649      -0.4176137     0.6486990 
1 1 1 -13 5  4  o 26.16224  0.9412957     691.0818       69.42113  704.0412       69.42417      -0.2483138     1.882591  
1 1 1 -13 5  5  o 16.00423  0.6077851     252.2961       27.40099  265.5061       27.40950      -0.4139829     1.215570  
1 1 1 -13 5  6  o 6.495704  0.2633870     40.32100       4.797615  44.42183       4.833319      -0.3167101     0.5267740 
1 1 1 -13 5  7  o 12.01281  0.4559685     151.7717       15.43757  139.1293       15.41648      0.5279829      0.9119369 
1 1 1 -13 5  8  o 6.350168  0.2680094     39.57967       4.780642  41.50222       4.801046      -0.1518081     0.5360187 
1 1 1 -13 5  9  f 5.512021  0.2557833     29.15438       3.924334  31.95013       4.002485      -0.2541900     0.5115665 
1 1 1 -13 5  10 o 15.99865  0.6027898     258.2480       27.17588  259.5825       27.18070      -0.4179122E-01 1.205580  
1 1 1 -13 5  11 o 16.51211  0.6307250     276.0746       29.34567  275.6612       29.34946      0.1258036E-01  1.261450  
1 1 1 -13 5  12 o 8.022359  0.3314370     65.00645       7.479485  64.47655       7.495947      0.3324955E-01  0.6628740 
1 1 1 -13 5  13 o 22.18980  0.8477508     498.3956       52.99190  508.6781       53.02190      -0.2321113     1.695502  
1 1 1 -13 5  14 o 1.956323  0.4437995     -6.406795      3.822136  8.693151       4.088711      -1.751065      0.8875991 
1 1 1 -13 5  15 o 8.015472  0.3763358     65.62624       8.420462  64.20883       8.547400      0.9012513E-01  0.7526716 
1 1 1 -13 5  16 o 16.65730  0.6615343     285.6215       31.02364  285.4235       31.06083      0.6545961E-02  1.323069  
1 1 1 -13 5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 5  18 o 6.459902  0.4831495     45.24849       8.458667  41.10072       8.929641      0.3398631      0.9662989 
1 1 1 -13 5  19 o 10.10114  0.6010814     108.5592       14.55663  111.2662       21.34542      0.1778637      1.202163  
1 1 1 -13 5  20 o 3.044771  0.8765866     12.07252       11.21816  2.047137       13.49893      0.4946860      1.753173  
1 1 1 -13 5  21 o 2.296901  0.7508503     8.101232       12.49362  -30.30561      14.92454      1.017927       1.501701  
1 1 1 -13 5  22 o 4.159287  1.038511      41.34042       15.28547  25.65543       17.49997      1.272515       2.077023  
1 1 1 -13 5  23 o 2.243352  0.7827796     -7.852192      16.30473  3.693540       19.41485      -0.3085153     1.565559  
1 1 1 -13 7  1  o 17.12116  0.6446151     300.7782       31.09769  291.5992       31.10377      0.2689007      1.289230  
1 1 1 -13 7  2  o 3.359250  0.2191481     11.04647       2.313818  11.60972       1.871500      -0.9216926E-01 0.4382963 
1 1 1 -13 7  3  o 13.64329  0.5554538     182.5586       19.94192  194.8226       23.05317      -0.4298674     1.110908  
1 1 1 -13 7  4  o 7.324179  0.2881752     50.80273       5.893909  56.95338       5.988276      -0.4209486     0.5763503 
1 1 1 -13 7  5  o 19.57157  0.7417595     385.2454       40.91351  394.5239       40.90467      -0.2378272     1.483519  
1 1 1 -13 7  6  o 6.370689  0.2616057     40.03310       4.670241  41.56588       4.716021      -0.1203892     0.5232113 
1 1 1 -13 7  7  o 6.090433  0.2600302     36.30631       4.459997  38.26048       4.454802      -0.1611234     0.5200604 
1 1 1 -13 7  8  o 7.912860  0.3174193     64.39027       7.071520  61.53782       7.075854      0.1809092      0.6348386 
1 1 1 -13 7  9  o 33.44370  1.310111      1155.293       123.4376  1182.600       123.4343      -0.4096054     2.620221  
1 1 1 -13 7  10 o 15.71832  0.5966516     250.8680       26.41762  248.6617       26.43950      0.7053289E-01  1.193303  
1 1 1 -13 7  11 o 31.31742  1.217421      1008.622       107.4121  1024.403       107.4285      -0.2525649     2.434842  
1 1 1 -13 7  12 o 3.605866  0.3510376     11.25772       3.391040  15.15929       3.534350      -0.5518324     0.7020751 
1 1 1 -13 7  13 o 12.82675  0.4954476     172.3306       17.90227  159.9538       17.89451      0.4841501      0.9908952 
1 1 1 -13 7  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 7  15 o 3.329400  0.8850341     17.17174       12.66192  -2.686159      12.17764      1.434117       1.770068  
1 1 1 -13 7  16 o 7.598967  0.4157564     55.93933       8.727959  61.56675       8.995685      -0.3686245     0.8315129 
1 1 1 -13 7  17 o 7.402942  0.4478271     50.45432       9.071355  61.90368       9.452176      -0.7727020     0.8956543 
1 1 1 -13 7  18 o 11.50286  0.5206679     143.8051       16.73238  131.8073       16.95011      0.5307516      1.041336  
1 1 1 -13 7  19 o 9.739960  0.5114683     109.7075       13.83595  90.86194       14.06603      0.9860423      1.022937  
1 1 1 -13 7  20 o 3.111354  0.7655284     17.95650       8.924655  2.351852       9.513438      1.351982       1.531057  
1 1 1 -13 7  21 o 2.877475  0.7161037     -12.63982      9.793108  24.91612       10.51361      -2.465440      1.432207  
1 1 1 -13 7  22 o 5.930287  0.8995168     63.57321       15.28957  47.47142       14.01793      1.062889       1.799034  
1 1 1 -13 7  23 o 2.386732  0.7890968     7.532537       12.82906  10.47990       13.65574      -0.1109303     1.578194  
1 1 1 -13 9  1  o 10.22870  0.4234243     111.8817       11.38862  97.53825       13.11926      0.7188373      0.8468486 
1 1 1 -13 9  2  o 8.974280  0.3618622     85.06358       9.898027  77.78324       8.521876      0.3969688      0.7237244 
1 1 1 -13 9  3  o 25.88465  1.005366      684.9876       73.29910  697.1379       73.34219      -0.2349493     2.010732  
1 1 1 -13 9  4  o 15.31179  0.5951524     242.8940       25.65427  232.0325       25.68777      0.3561316      1.190305  
1 1 1 -13 9  5  o 4.615425  0.2302532     22.51313       2.944310  20.25499       3.025349      0.2471547      0.4605064 
1 1 1 -13 9  6  o 8.897393  0.3402286     82.53090       8.518894  76.64793       8.534225      0.3318861      0.6804572 
1 1 1 -13 9  7  o 15.51700  0.5861720     248.9602       25.62194  238.1906       25.63492      0.3482142      1.172344  
1 1 1 -13 9  8  o 31.26812  1.223886      1001.669       107.7804  1030.274       107.8375      -0.4582404     2.447772  
1 1 1 -13 9  9  o 15.09948  0.5704085     226.0852       24.25726  234.4567       24.28168      -0.2779049     1.140817  
1 1 1 -13 9  10 o 11.21003  0.4284299     125.7779       13.51227  127.3228       13.55470      -0.6886163E-01 0.8568599 
1 1 1 -13 9  11 o 9.277946  0.3770332     83.88891       9.809864  89.37756       9.888547      -0.2963782     0.7540663 
1 1 1 -13 9  12 o 22.47775  0.8527089     529.7045       54.01134  505.1628       53.99426      0.5474823      1.705418  
1 1 1 -13 9  13 o 6.903316  0.3482090     51.48983       6.652980  44.38472       6.838063      0.5205182      0.6964180 
1 1 1 -13 9  14 o 2.792588  0.5083933     14.20577       4.706973  -0.2240888     5.075943      1.877078       1.016787  
1 1 1 -13 9  15 o 12.47261  0.5051994     166.4724       17.68587  150.0583       17.78211      0.6622350      1.010399  
1 1 1 -13 9  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 9  17 o 7.532852  0.4654239     61.70749       9.626483  55.14162       9.994879      0.4500807      0.9308479 
1 1 1 -13 9  18 o 8.391630  0.4939893     61.13843       11.28799  86.68019       11.74763      -1.522529      0.9879785 
1 1 1 -13 9  19 o 3.262708  0.7615939     3.427969       8.628046  20.25198       9.419435      -1.613416      1.523188  
1 1 1 -13 9  20 o 3.831517  0.7837088     27.15908       9.577922  9.185459       10.41586      1.750133       1.567418  
1 1 1 -13 9  21 o 2.574485  0.7768015     13.74788       10.43496  -2.727125      11.34458      0.8856506      1.553603  
1 1 1 -13 9  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 11 1  f 4.340073  0.2284504     21.06259       2.860502  16.88531       2.694768      0.4828517      0.4569008 
1 1 1 -13 11 2  o 23.35138  0.8928149     601.3990       58.68211  516.2168       58.62630      1.831561       1.785630  
1 1 1 -13 11 3  o 16.57755  0.6347640     286.6661       29.65045  270.6691       29.63668      0.4840015      1.269528  
1 1 1 -13 11 4  o 16.37729  0.6702103     276.0678       28.91655  267.5927       33.38031      0.2980940      1.340421  
1 1 1 -13 11 5  o 5.674094  0.2606156     31.78086       4.065094  33.03608       4.260358      -0.1094406     0.5212312 
1 1 1 -13 11 6  o 7.062214  0.3127761     54.39403       6.670261  46.40894       5.805408      0.5605867      0.6255522 
1 1 1 -13 11 7  o 32.50843  1.260017      1122.498       115.3764  1074.289       115.4061      0.7442845      2.520034  
1 1 1 -13 11 8  o 7.407549  0.3085946     57.63044       6.424429  52.59348       6.441308      0.3416078      0.6171892 
1 1 1 -13 11 9  o 13.27129  0.4930548     184.3992       18.43001  170.4843       18.43817      0.5261031      0.9861096 
1 1 1 -13 11 10 o 1.570886  0.4502448     0.4828124      2.964205  1.593589       3.308064      -0.2168303     0.9004896 
1 1 1 -13 11 11 o 23.88787  0.9092925     588.2220       61.20459  584.8024       61.21490      0.7190156E-01  1.818585  
1 1 1 -13 11 12 o 16.86095  0.6388353     305.0801       30.33547  272.9565       30.32088      0.9562463      1.277671  
1 1 1 -13 11 13 o 5.063149  0.3922574     26.72783       5.344572  25.38867       5.721362      0.1409588      0.7845148 
1 1 1 -13 11 14 o 12.39203  0.4959632     159.6193       17.24701  152.7619       17.37253      0.2792704      0.9919265 
1 1 1 -13 11 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 11 16 o 6.299890  0.4877126     43.21092       8.304880  38.71918       8.788949      0.3761640      0.9754251 
1 1 1 -13 11 17 o 5.129411  0.6145276     38.01180       8.181983  18.10259       8.885451      2.016778       1.229055  
1 1 1 -13 11 18 o 2.214570  0.6915088     -3.869562      8.185537  2.620017       9.151430      -0.5049999     1.383018  
1 1 1 -13 11 19 o 3.450323  0.7939173     6.050351       9.082626  23.57783       10.25710      -1.639368      1.587835  
1 1 1 -13 11 20 o 2.041927  0.6836025     -5.507270      9.939026  -5.973986      11.09622      -0.9029248E-01 1.367205  
1 1 1 -13 11 21 o 2.883990  0.9236233     8.535442       14.66940  22.26280       18.12182      -0.5257908     1.847247  
1 1 1 -13 11 22 o 2.307194  0.7732007     0.8985327      12.79164  13.48172       14.42824      -0.4344836     1.546401  
1 1 1 -13 13 1  o 10.67330  0.4106198     126.0729       12.39278  103.2304       12.24147      1.074170       0.8212397 
1 1 1 -13 13 2  o 19.37100  0.7367005     407.3557       40.18404  354.3719       40.13947      1.373153       1.473401  
1 1 1 -13 13 3  o 7.283711  0.3014070     55.55282       6.210573  51.08049       6.147341      0.3078308      0.6028141 
1 1 1 -13 13 4  o 33.37185  1.323662      1150.766       124.4597  1174.840       124.4078      -0.3624954     2.647324  
1 1 1 -13 13 5  o 14.74298  0.5684338     226.7946       23.58334  212.0746       23.62670      0.5012780      1.136868  
1 1 1 -13 13 6  o 23.69688  0.9058856     587.9295       60.48864  558.4940       60.46495      0.6229323      1.811771  
1 1 1 -13 13 7  o 12.77453  0.4896049     171.5591       17.61947  157.2333       17.60871      0.5627448      0.9792098 
1 1 1 -13 13 8  o 14.13175  0.5339726     201.4932       21.24109  201.8545       21.29041      -0.1249416E-01 1.067945  
1 1 1 -13 13 9  o 10.20383  0.3972653     115.2239       11.39501  94.28477       11.38414      1.031146       0.7945306 
1 1 1 -13 13 10 o 7.297071  0.3338618     53.40358       6.797028  53.92833       6.911578      -0.3514927E-01 0.6677237 
1 1 1 -13 13 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 13 12 o 4.338809  0.4380655     20.21550       4.985665  18.25298       5.490073      0.2445606      0.8761309 
1 1 1 -13 13 13 o 22.24415  0.8394905     567.0299       52.56319  466.0707       52.39117      2.276824       1.678981  
1 1 1 -13 13 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 13 15 o 4.116621  0.6290619     23.27735       7.015183  11.96678       7.725862      1.339915       1.258124  
1 1 1 -13 13 16 o 5.214422  0.6113084     39.17787       8.264830  18.71990       8.917873      2.041249       1.222617  
1 1 1 -13 13 17 o 8.108821  0.5147592     72.30731       11.31282  67.28982       12.06938      0.3474264      1.029518  
1 1 1 -13 13 18 o 6.406874  0.6161607     49.42108       10.45666  42.60217       11.28642      0.6134425      1.232321  
1 1 1 -13 13 19 o 2.472332  0.7373500     -9.399121      9.786123  15.38885       11.27344      -1.470527      1.474700  
1 1 1 -13 13 20 o 2.216391  0.7358956     -3.311076      10.97241  1.487362       12.53569      -0.2781507     1.471791  
1 1 1 -13 13 21 o 2.286853  0.7734708     7.079895       12.63353  -5.204666      17.09616      0.2108798      1.546942  
1 1 1 -13 15 1  o 33.62024  1.287127      1112.373       121.7399  1235.596       121.9374      -1.837677      2.574255  
1 1 1 -13 15 2  o 15.21580  0.5765772     256.1728       24.69949  211.1023       24.62097      1.487531       1.153154  
1 1 1 -13 15 3  o 18.86780  0.7232600     369.5890       38.45398  352.5842       38.43723      0.4519763      1.446520  
1 1 1 -13 15 4  o 26.89562  1.038873      765.9561       78.74195  719.8270       78.66393      0.8597971      2.077746  
1 1 1 -13 15 5  o 25.70711  1.062459      710.0408       71.89224  643.5654       82.89247      1.416033       2.124917  
1 1 1 -13 15 6  o 3.037299  0.3922729     8.431843       2.979599  10.83071       3.544426      -0.3858911     0.7845459 
1 1 1 -13 15 7  o 26.72759  1.039813      767.7828       78.28149  707.5313       78.24174      1.130953       2.079626  
1 1 1 -13 15 8  o 11.54207  0.4484597     141.9560       14.53527  126.5956       14.60674      0.6688033      0.8969194 
1 1 1 -13 15 9  o 15.86428  0.6520670     298.6989       26.67925  212.9227       30.67460      2.768355       1.304134  
1 1 1 -13 15 10 o 19.22768  0.7195603     406.0598       38.96262  351.0981       38.91033      1.434674       1.439121  
1 1 1 -13 15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 15 12 o 5.305859  0.4585436     35.86783       6.205104  21.26224       6.907139      1.437577       0.9170871 
1 1 1 -13 15 13 o 7.655159  1.024210      85.92432       21.68152  43.28615       21.31600      2.798714       2.048420  
1 1 1 -13 15 14 f 2.683039  0.6913437     1.935092       6.678166  10.83483       7.676689      -0.9861895     1.382687  
1 1 1 -13 15 15 f 2.863058  0.7390322     7.775028       7.395236  7.809584       8.217471      -0.5954312E-01 1.478064  
1 1 1 -13 15 16 o 2.152329  0.6812987     1.196919       8.159631  -6.663551      9.331766      0.2863905      1.362597  
1 1 1 -13 15 17 o 6.288160  0.6294809     48.13847       10.36772  40.66382       11.41382      0.6984240      1.258962  
1 1 1 -13 15 18 o 4.790746  0.8256456     28.76131       10.48499  33.02790       11.76407      -0.2684921     1.651291  
1 1 1 -13 15 19 o 2.322904  0.7569157     1.366074       10.78480  1.134683       12.33813      -0.7957624E-01 1.513831  
1 1 1 -13 15 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 17 1  o 16.20099  0.6918629     258.1957       29.49815  277.2940       34.05254      -0.5522245     1.383726  
1 1 1 -13 17 2  o 14.37392  0.5566792     229.2545       22.54926  188.1967       22.42298      1.434264       1.113358  
1 1 1 -13 17 3  o 17.87520  0.6909977     331.4049       34.81075  317.9474       34.78421      0.3774291      1.381995  
1 1 1 -13 17 4  o 13.53535  0.5190989     201.5744       19.77490  168.3528       19.73540      1.232731       1.038198  
1 1 1 -13 17 5  o 26.15504  1.017090      746.5742       74.94823  669.5153       74.82405      1.477620       2.034180  
1 1 1 -13 17 6  o 20.85714  0.8300618     504.7873       48.52091  388.8037       48.50559      2.795980       1.660124  
1 1 1 -13 17 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 17 8  o 9.578609  0.4006288     105.2650       10.70742  80.06393       10.77875      1.324560       0.8012576 
1 1 1 -13 17 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 17 10 o 8.682280  0.4161276     94.06665       9.862646  59.66450       10.06080      2.002003       0.8322551 
1 1 1 -13 17 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 17 12 o 5.548631  0.4959566     23.26721       6.967340  41.11857       7.976566      -1.618256      0.9919133 
1 1 1 -13 17 13 o 13.44397  0.5610431     208.2878       21.04752  168.7618       21.28344      1.485791       1.122086  
1 1 1 -13 17 14 o 3.712474  0.7391112     17.23337       7.667460  13.27810       8.888080      0.4570673      1.478222  
1 1 1 -13 17 15 o 4.392243  0.7364838     15.92427       8.537411  29.25669       9.746281      -1.369455      1.472968  
1 1 1 -13 17 16 o 2.720956  0.7364025     15.20767       9.019088  -5.808837      9.902060      1.428896       1.472805  
1 1 1 -13 17 17 o 2.992556  0.8256556     16.27013       10.08453  4.275499       11.45974      0.8314394      1.651311  
1 1 1 -13 17 18 o 2.494566  0.7900078     -0.8187487     11.05987  12.33919       12.66580      -0.6958454     1.580016  
1 1 1 -13 17 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 19 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 19 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 19 3  o 12.31576  0.4945226     164.9895       17.13939  141.9011       17.11863      0.9417077      0.9890452 
1 1 1 -13 19 4  o 18.19613  0.7057253     378.0250       36.10117  300.0266       35.98007      2.152874       1.411451  
1 1 1 -13 19 5  o 13.85345  0.5362835     214.5736       20.89529  175.1639       20.85061      1.429000       1.072567  
1 1 1 -13 19 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 19 7  o 12.10302  0.4881854     164.0696       16.47955  133.3879       16.70078      1.277585       0.9763708 
1 1 1 -13 19 8  o 7.558712  0.3992257     68.16886       8.223135  47.71550       8.529409      1.372595       0.7984514 
1 1 1 -13 19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 19 10 o 13.74688  0.5620536     218.7841       21.58560  171.8202       21.73506      1.721700       1.124107  
1 1 1 -13 19 11 o 5.971573  0.4966720     41.29132       7.787293  32.07007       8.622601      0.8207365      0.9933440 
1 1 1 -13 19 12 o 3.298535  0.6843568     16.98175       6.952986  4.311739       8.245721      1.336468       1.368714  
1 1 1 -13 19 13 o 8.243114  0.5024533     76.78998       11.09687  66.28976       12.11865      0.6902708      1.004907  
1 1 1 -13 19 14 o 3.580657  0.7817247     7.506983       8.498083  23.90360       10.10564      -1.633195      1.563449  
1 1 1 -13 19 15 f 3.212777  0.8379488     13.09627       9.349551  12.51169       10.93681      0.3778115E-01  1.675898  
1 1 1 -13 19 16 o 3.000295  0.8526148     10.41057       10.24216  13.93777       12.00844      -0.2628829     1.705230  
1 1 1 -13 19 17 f 4.257947  0.9172576     20.63633       12.08763  42.92491       13.41569      -1.736616      1.834515  
1 1 1 -13 19 18 o 2.068632  0.7135131     2.757035       13.07825  -13.72877      14.78837      0.3223085      1.427026  
1 1 1 -13 21 1  f 2.091184  0.5828711     3.843908       5.043222  1.070472       5.225449      0.2710818      1.165742  
1 1 1 -13 21 2  o 6.863070  0.4256603     60.56304       8.790294  36.48464       7.425052      1.750899       0.8513206 
1 1 1 -13 21 3  o 16.44684  0.6527584     306.8455       30.24376  250.0607       30.06399      1.732253       1.305517  
1 1 1 -13 21 4  o 7.125199  0.4128746     52.33279       7.663265  50.80731       8.986331      0.1295690      0.8257493 
1 1 1 -13 21 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 21 6  o 4.686351  0.9578570     16.89969       14.06937  30.41784       13.56599      -1.160438      1.915714  
1 1 1 -13 21 7  o 4.076983  0.6056101     16.83230       6.042207  19.25653       7.799461      -0.2407104     1.211220  
1 1 1 -13 21 8  f 2.776791  0.6909999     7.130929       6.102019  7.704713       7.528400      -0.1666626     1.382000  
1 1 1 -13 21 9  o 6.278126  0.5312541     50.39191       9.577995  32.62168       8.692921      1.413564       1.062508  
1 1 1 -13 21 10 o 2.408611  0.6816159     7.432843       6.925238  -2.963932      8.303810      0.6712167      1.363232  
1 1 1 -13 21 11 o 2.579681  0.7247396     6.940876       7.275313  1.899837       9.027521      0.2532299      1.449479  
1 1 1 -13 21 12 o 5.083890  0.6692484     29.21585       8.670245  30.23876       10.04235      0.4487967E-02  1.338497  
1 1 1 -13 21 13 o 2.276269  0.7064783     5.768945       8.524470  -7.691370      10.22318      0.5731115      1.412957  
1 1 1 -13 21 14 o 5.214938  0.7519173     49.95097       10.61873  19.52901       12.50013      2.916978       1.503835  
1 1 1 -13 21 15 o 3.248724  0.8761897     8.736285       10.70130  27.09465       13.01638      -1.265579      1.752379  
1 1 1 -13 21 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 23 1  o 13.62022  0.5682052     203.2787       21.72035  180.9709       21.82038      0.8252910      1.136410  
1 1 1 -13 23 2  o 9.488479  0.5277755     104.4222       17.52527  86.33573       11.83827      0.8063070      1.055551  
1 1 1 -13 23 3  o 4.222545  0.5898279     23.55456       6.529562  13.34025       7.420765      1.233457       1.179656  
1 1 1 -13 23 4  o 2.753837  0.6971593     6.820783       7.159321  7.392555       6.639829      -0.2271744E-01 1.394319  
1 1 1 -13 23 5  o 5.511088  0.5094650     40.12595       7.412396  23.14071       7.677332      1.601304       1.018930  
1 1 1 -13 23 6  o 4.654057  0.5781152     29.80761       7.192995  16.04548       7.460086      1.525615       1.156230  
1 1 1 -13 23 7  o 9.991655  0.4543008     110.8240       12.54163  96.33835       12.97162      0.7437315      0.9086016 
1 1 1 -13 23 8  o 2.249850  0.6792388     3.159031       6.885415  -2.226461      8.861140      0.1332223      1.358478  
1 1 1 -13 23 9  o 4.079494  0.7257895     20.35152       7.967707  18.36666       8.937436      0.2735450      1.451579  
1 1 1 -13 23 10 o 2.199413  0.6927843     1.075387       7.822887  -3.456837      9.935396      0.2089401E-01  1.385569  
1 1 1 -13 23 11 o 2.874660  0.7987695     5.769430       8.325907  13.82413       11.24714      -0.7449785     1.597539  
1 1 1 -13 23 12 o 2.173782  0.6896005     -10.87343      8.863615  9.797323       11.47975      -1.206322      1.379201  
1 1 1 -13 23 13 o 4.879650  0.8436368     39.64747       11.14712  29.30445       13.06905      1.258825       1.687274  
1 1 1 -13 23 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 25 1  o 3.942114  0.6490390     23.80319       7.347082  10.11427       7.599503      1.604833       1.298078  
1 1 1 -13 25 2  o 7.221494  0.5378533     59.68490       12.27406  53.16013       9.768666      0.3345518      1.075707  
1 1 1 -13 25 3  o 7.323132  0.4869883     66.92608       9.764366  46.21603       9.916400      1.444561       0.9739766 
1 1 1 -13 25 4  f 2.414519  0.6977255     1.504913       7.462386  5.798624       7.813409      -0.3862837     1.395451  
1 1 1 -13 25 5  o 4.065686  0.6733352     22.29136       7.396790  14.81550       8.252528      0.9115348      1.346670  
1 1 1 -13 25 6  o 14.53999  0.6323841     265.2028       25.84131  207.4903       25.65006      1.984708       1.264768  
1 1 1 -13 25 7  o 3.034155  0.7459913     3.401050       7.943596  17.99324       9.122479      -1.412713      1.491983  
1 1 1 -13 25 8  o 2.185855  0.6991410     -8.996334      8.795218  6.617178       11.59513      -1.017697      1.398282  
1 1 1 -13 25 9  o 2.619398  0.7881961     1.989033       9.138879  11.57769       11.99639      -0.7462642     1.576392  
1 1 1 -13 25 10 o 2.259526  0.7313845     2.607443       9.431688  -4.297313      12.19590      0.1014303      1.462769  
1 1 1 -13 25 11 o 2.607742  0.8096263     7.480381       10.12749  8.189597       13.24991      -0.1183375     1.619253  
1 1 1 -13 25 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 27 1  o 5.215523  0.6833534     35.60373       9.344100  28.86830       10.20282      0.7501863      1.366707  
1 1 1 -13 27 2  o 4.564801  0.8325940     35.11594       12.50592  21.79991       9.489483      1.022520       1.665188  
1 1 1 -13 27 3  o 3.876678  0.8054442     29.18035       10.70412  11.64749       9.168572      1.655367       1.610888  
1 1 1 -13 27 4  o 4.513977  0.7876802     61.57691       15.80056  2.719488       8.896414      4.444155       1.575360  
1 1 1 -13 27 5  o 4.363097  1.029633      42.92937       16.09070  21.73786       15.23701      1.499063       2.059266  
1 1 1 -13 27 6  o 3.011241  0.9426298     7.589589       16.40675  15.58584       15.66527      -0.3368725     1.885260  
1 1 1 -13 27 7  o 2.541910  0.8507406     11.06787       16.51408  -11.62614      17.23548      0.6236413      1.701481  
1 1 1 -13 27 8  o 2.445626  0.8389205     -2.455961      17.16620  -2.173841      19.11830      -0.7278188E-01 1.677841  
1 1 1 -13 27 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -13 29 6  o 1.846444  0.6502037     -8.805028      13.03918  -17.57914      14.04314      0.1115999      1.300407  
1 1 1 -12 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 0  5  o 44.18168  3.607062      2077.265       313.6823  2077.265       313.6823      ?              ?         
1 1 1 -12 0  6  f 0.6962938 0.4438223     0.1062956      1.365343  0.1062956      1.365343      ?              ?         
1 1 1 -12 0  7  o 3.209391  0.3068027     10.58512       1.925362  10.58512       1.925362      ?              ?         
1 1 1 -12 0  8  o 14.57650  0.7939731     215.2871       22.98868  215.2871       22.98868      ?              ?         
1 1 1 -12 0  9  o 11.81921  0.6391853     141.3320       15.00768  141.3320       15.00768      ?              ?         
1 1 1 -12 0  10 o 1.070076  0.6060414     1.502389       1.998840  1.502389       1.998840      ?              ?         
1 1 1 -12 0  11 o 13.49484  0.7369162     184.3283       19.75266  184.3283       19.75266      ?              ?         
1 1 1 -12 0  12 o 15.64708  0.8411368     247.9080       26.14775  247.9080       26.14775      ?              ?         
1 1 1 -12 0  13 o 7.285659  0.4506088     53.75086       6.507766  53.75086       6.507766      ?              ?         
1 1 1 -12 0  14 o 1.010679  0.6625779     -0.5193657     3.342957  -0.5193657     3.342957      ?              ?         
1 1 1 -12 0  15 o 6.807333  0.4941882     47.17072       6.645012  47.17072       6.645012      ?              ?         
1 1 1 -12 0  16 o 1.796391  0.9755546     4.611242       4.933175  4.611242       4.933175      ?              ?         
1 1 1 -12 0  17 o 1.729887  1.008503      3.689607       5.777031  3.689607       5.777031      ?              ?         
1 1 1 -12 0  18 o 14.48792  0.8373324     215.4477       24.07537  215.4477       24.07537      ?              ?         
1 1 1 -12 0  19 o 8.190556  0.6536658     69.37346       10.54612  69.37346       10.54612      ?              ?         
1 1 1 -12 0  20 o 1.571343  1.025411      -0.8215450E-01 7.873072  -0.8215450E-01 7.873072      ?              ?         
1 1 1 -12 0  21 o 6.764481  0.8092201     50.03109       10.53417  50.03109       10.53417      ?              ?         
1 1 1 -12 0  22 o 2.447976  1.361866      11.26548       9.869003  11.26548       9.869003      ?              ?         
1 1 1 -12 0  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 2  1  o 11.28369  0.4073108     125.4465       12.94194  130.2074       12.96750      -0.2114625     0.8146216 
1 1 1 -12 2  2  o 13.56017  0.5970749     199.8517       19.32630  164.5735       27.25047      1.356876       1.194150  
1 1 1 -12 2  3  o 36.93771  1.855705      1470.974       175.6075  1349.983       215.0310      1.983077       3.711409  
1 1 1 -12 2  4  o 16.69200  0.9179501     286.5552       35.06898  273.3908       60.71439      0.5887203      1.835900  
1 1 1 -12 2  5  o 19.86576  1.091937      431.2196       60.81224  374.6374       60.74356      1.435271       2.183875  
1 1 1 -12 2  6  o 3.210696  0.2895858     12.35385       2.614717  8.534545       2.475281      0.6062789      0.5791716 
1 1 1 -12 2  7  o 5.018990  0.3190610     23.77772       4.428859  27.06186       4.521209      -0.3292660     0.6381221 
1 1 1 -12 2  8  o 10.71163  0.5886620     119.9864       17.67241  112.9390       17.70454      0.3315001      1.177324  
1 1 1 -12 2  9  o 11.33317  0.6153932     137.7596       19.54292  122.9847       19.56636      0.6569976      1.230786  
1 1 1 -12 2  10 o 4.871202  0.3459277     23.43285       4.623620  24.67043       4.781186      -0.1261530     0.6918554 
1 1 1 -12 2  11 o 13.94051  0.7642917     208.2933       29.85621  187.4024       29.88767      0.7552285      1.528583  
1 1 1 -12 2  12 o 17.91401  0.9767534     335.4045       49.07005  323.6016       49.13370      0.3321664      1.953507  
1 1 1 -12 2  13 o 24.02883  1.329797      617.2391       89.62871  592.9238       89.65633      0.5096672      2.659594  
1 1 1 -12 2  14 o 17.22913  0.8275484     320.8504       44.72852  291.6591       36.54626      0.7610055      1.655097  
1 1 1 -12 2  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 2  16 o 15.63554  0.6226481     239.2776       27.37539  260.1064       27.44353      -0.6678185     1.245296  
1 1 1 -12 2  17 o 20.93137  0.8436922     459.7425       49.72520  461.2671       49.75879      -0.3581611E-01 1.687384  
1 1 1 -12 2  18 o 14.89665  0.6086786     225.5536       25.50081  235.5824       25.56363      -0.3363870     1.217357  
1 1 1 -12 2  19 o 4.999513  0.5810158     24.47437       7.837252  28.98011       7.993320      -0.4548420     1.162032  
1 1 1 -12 2  20 o 5.862866  0.5608633     37.86112       8.976024  36.74215       9.148347      0.1071845      1.121727  
1 1 1 -12 2  21 o 6.709428  0.5699050     54.03939       10.58128  46.59371       10.56109      0.5638614      1.139810  
1 1 1 -12 2  22 o 2.200491  0.6981319     -9.203897      9.719727  8.369569       10.12021      -0.8906603     1.396264  
1 1 1 -12 2  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 4  1  o 24.19454  0.8832716     601.4338       60.23417  581.9970       60.23327      0.4028148      1.766543  
1 1 1 -12 4  2  o 9.798211  0.3600880     96.72388       9.967029  96.08656       9.923145      0.3243035E-01  0.7201760 
1 1 1 -12 4  3  o 10.72019  0.4077608     116.7525       12.30666  114.2033       12.32884      0.1193474      0.8155217 
1 1 1 -12 4  4  o 21.70098  0.8130786     488.3101       49.73309  464.6699       49.70191      0.5462252      1.626157  
1 1 1 -12 4  5  o 19.06012  0.7192301     364.3712       38.63393  370.7185       38.63055      -0.1670186     1.438460  
1 1 1 -12 4  6  o 11.61961  0.4417560     136.4010       14.46298  135.5744       14.46695      0.3569886E-01  0.8835121 
1 1 1 -12 4  7  o 20.04481  0.7732298     408.3508       43.66260  410.3812       43.68205      -0.5063163E-01 1.546460  
1 1 1 -12 4  8  o 15.37359  0.5841713     233.4939       25.29589  245.0506       25.31005      -0.3769585     1.168343  
1 1 1 -12 4  9  o 7.588360  0.3034076     57.21318       6.475227  58.61780       6.495155      -0.9272090E-01 0.6068153 
1 1 1 -12 4  10 o 19.79536  0.7602035     393.4656       42.39163  404.1330       42.41009      -0.2701190     1.520407  
1 1 1 -12 4  11 o 21.68749  0.8267685     481.9022       50.52780  476.3528       50.52617      0.1283069      1.653537  
1 1 1 -12 4  12 o 16.98212  0.6387131     287.1880       30.55303  296.4115       30.57867      -0.2722091     1.277426  
1 1 1 -12 4  13 o 9.803938  0.3833691     100.0825       10.58079  93.30271       10.58943      0.3470887      0.7667382 
1 1 1 -12 4  14 o 8.933447  0.4406874     83.60915       9.513688  75.30853       13.60741      0.5103554      0.8813747 
1 1 1 -12 4  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 4  18 o 8.353932  0.6557692     82.81300       14.56792  62.80621       15.71600      1.262836       1.311538  
1 1 1 -12 4  19 o 2.778286  0.8121306     5.841606       9.598722  1.558035       11.48690      0.1116255      1.624261  
1 1 1 -12 4  20 o 2.811290  0.8351353     0.4252484E-01  10.51736  10.28687       12.69062      -0.7946871     1.670271  
1 1 1 -12 4  21 o 3.986301  0.9085638     30.73206       12.17585  10.28595       13.92454      1.656123       1.817128  
1 1 1 -12 4  22 o 5.822844  1.032963      50.39708       16.00329  61.59392       18.08034      -0.5068855     2.065926  
1 1 1 -12 4  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 6  1  o 22.98183  0.8449371     525.9141       54.71378  543.2434       54.74400      -0.3779483     1.689874  
1 1 1 -12 6  2  f 20.04650  0.7619978     401.3524       43.03914  411.2918       43.04886      -0.2486067     1.523996  
1 1 1 -12 6  3  o 20.39558  0.7809431     421.6529       44.86847  420.8027       44.89652      0.2106629E-01  1.561886  
1 1 1 -12 6  4  o 26.75866  0.9936571     752.5156       74.94228  709.1904       74.89508      0.8117892      1.987314  
1 1 1 -12 6  5  o 17.09606  0.6450578     295.2268       31.07938  296.4857       31.07809      -0.3693510E-01 1.290116  
1 1 1 -12 6  6  o 14.33527  0.5437880     210.1583       21.96311  205.1790       21.97016      0.1742466      1.087576  
1 1 1 -12 6  7  o 26.24886  1.024895      719.8138       75.77910  703.8668       75.80475      0.3050256      2.049790  
1 1 1 -12 6  8  o 13.18032  0.4950595     168.5749       18.36995  182.0660       18.39180      -0.5134084     0.9901190 
1 1 1 -12 6  9  o 23.45652  0.8994386     557.4680       59.43904  570.1039       59.45495      -0.2700142     1.798877  
1 1 1 -12 6  10 o 20.70815  0.7825420     427.4776       45.64854  444.9899       45.67409      -0.4239435     1.565084  
1 1 1 -12 6  11 o 16.33519  0.6184923     267.6722       28.46316  272.0699       28.47920      -0.1349011     1.236985  
1 1 1 -12 6  12 o 26.53461  1.012441      720.3174       75.68687  725.6772       75.71914      -0.1009911     2.024882  
1 1 1 -12 6  13 o 29.84089  1.154544      916.4362       97.03970  935.1356       97.10281      -0.3135181     2.309088  
1 1 1 -12 6  14 o 11.74017  0.4666143     135.9692       15.40599  142.5554       15.45206      -0.2810922     0.9332286 
1 1 1 -12 6  15 o 2.085846  0.5668763     2.255919       4.539396  3.740237       4.909972      -0.2291792     1.133753  
1 1 1 -12 6  16 o 19.19243  0.7579634     388.2612       40.97427  375.6193       40.98091      0.3305566      1.515927  
1 1 1 -12 6  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 6  18 o 3.337236  0.7066243     10.88210       6.950644  13.25931       7.461837      -0.2951322     1.413249  
1 1 1 -12 6  19 o 4.607912  0.6561803     23.08293       8.022791  24.11068       8.508506      -0.8618040E-01 1.312361  
1 1 1 -12 6  20 o 6.107862  0.5906727     31.49667       9.471168  50.85118       10.06961      -1.590262      1.181345  
1 1 1 -12 6  21 o 2.342984  0.7210441     6.592457       8.985291  -3.189671      9.585032      0.5313569      1.442088  
1 1 1 -12 6  22 o 6.072011  0.7383331     53.74176       11.97104  44.46996       12.47175      0.8722776      1.476666  
1 1 1 -12 6  23 o 2.277416  0.7621735     15.58779       13.75520  -13.22497      14.94823      0.8112522      1.524347  
1 1 1 -12 8  1  o 9.272058  0.3841505     93.27058       9.366543  78.50271       10.73621      0.8112859      0.7683011 
1 1 1 -12 8  2  o 12.19141  0.4953949     155.6728       18.37464  145.2050       15.88823      0.4147717      0.9907897 
1 1 1 -12 8  3  o 3.646044  0.2080660     12.81229       1.940858  14.16428       2.370978      -0.1804149     0.4161321 
1 1 1 -12 8  4  o 7.603616  0.3060848     62.40443       6.517510  53.64353       6.573750      0.5793968      0.6121695 
1 1 1 -12 8  5  f 16.64883  0.6757003     282.0173       34.22717  281.3403       29.63618      -0.1880959E-01 1.351401  
1 1 1 -12 8  6  o 17.59197  0.6695324     320.7087       33.18195  307.9089       33.19097      0.3650244      1.339065  
1 1 1 -12 8  7  o 7.612360  0.3040272     61.78558       6.516767  54.62634       6.508374      0.4722838      0.6080545 
1 1 1 -12 8  8  o 21.69391  0.8240055     474.2357       50.36416  486.8332       50.37925      -0.2910839     1.648011  
1 1 1 -12 8  9  o 20.02956  0.7589632     402.1356       42.82766  413.6194       42.84547      -0.2873994     1.517926  
1 1 1 -12 8  10 o 13.36025  0.4956128     181.7169       18.65546  178.2024       18.66904      0.1319857      0.9912256 
1 1 1 -12 8  11 o 14.97044  0.5706908     233.1934       24.06999  219.3919       24.06553      0.4624874      1.141382  
1 1 1 -12 8  12 o 18.74529  0.6984284     364.1546       36.89757  349.2494       36.89015      0.3987222      1.396857  
1 1 1 -12 8  13 o 22.16006  0.8330958     510.8709       52.02124  495.5760       52.02777      0.3462055      1.666192  
1 1 1 -12 8  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 8  16 o 8.327171  0.4134604     68.75691       9.532707  72.29561       9.821471      -0.2093330     0.8269209 
1 1 1 -12 8  17 o 12.43099  0.5248191     164.3735       18.29765  153.9380       18.42652      0.4242400      1.049638  
1 1 1 -12 8  18 o 4.941428  0.6001776     20.12938       7.723990  32.16843       8.348800      -1.222999      1.200355  
1 1 1 -12 8  19 f 6.392939  0.5476537     40.84929       9.401464  47.30706       9.981840      -0.4828436     1.095307  
1 1 1 -12 8  20 o 4.080318  0.7627314     12.85804       8.927377  28.20209       9.705811      -1.576914      1.525463  
1 1 1 -12 8  21 o 2.308396  0.7317324     -1.386087      9.513785  4.498164       10.43126      -0.3802459     1.463465  
1 1 1 -12 8  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 8  23 o 2.313596  0.7702860     8.286678       12.55176  6.300043       13.52621      0.5861548E-01  1.540572  
1 1 1 -12 10 1  o 12.27048  0.4510085     164.3198       15.60408  138.9574       15.53580      1.037422       0.9020169 
1 1 1 -12 10 2  o 12.91100  0.5740932     184.2065       25.27464  158.4579       17.86084      0.9328737      1.148186  
1 1 1 -12 10 3  f 6.543934  0.2663006     47.60281       4.907954  38.40341       4.877672      0.7065104      0.5326012 
1 1 1 -12 10 4  o 27.58447  1.026463      814.9026       79.81197  756.6843       79.72311      1.057827       2.052927  
1 1 1 -12 10 5  o 23.81111  0.9207055     568.1741       61.75130  596.8010       61.76458      -0.6029895     1.841411  
1 1 1 -12 10 6  o 13.28352  0.5023115     189.4738       18.78900  166.4253       18.77603      0.8710833      1.004623  
1 1 1 -12 10 7  o 4.189725  0.2429650     19.51240       2.808687  15.70801       2.880503      0.4600352      0.4859300 
1 1 1 -12 10 8  o 9.396255  0.3674078     96.17300       9.712286  81.23863       9.703554      0.7984715      0.7348155 
1 1 1 -12 10 9  o 19.21876  0.7259565     377.0910       39.31705  372.4186       39.31961      0.1219310      1.451913  
1 1 1 -12 10 10 o 21.08257  0.7927711     460.1195       47.09972  443.8890       47.09552      0.3860657      1.585542  
1 1 1 -12 10 11 o 22.24524  0.8427933     508.7947       52.83323  501.8418       52.83298      0.1567381      1.685587  
1 1 1 -12 10 12 o 10.68964  0.4216218     118.4147       12.69019  111.9715       12.69722      0.3024964      0.8432436 
1 1 1 -12 10 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 10 14 o 5.602993  0.3896715     26.95583       5.854195  36.86088       6.264721      -0.8896289     0.7793429 
1 1 1 -12 10 15 o 14.01725  0.5568641     213.8589       21.93980  187.4998       21.98521      0.9452651      1.113728  
1 1 1 -12 10 16 o 4.164083  0.5906484     24.35635       6.635475  11.46587       7.160604      1.539482       1.181297  
1 1 1 -12 10 17 o 5.674315  0.5475858     43.65606       7.988889  23.55371       8.577680      1.855065       1.095172  
1 1 1 -12 10 18 o 7.052616  0.5124100     55.11232       9.790594  49.72829       10.36024      0.4112973      1.024820  
1 1 1 -12 10 19 o 6.531536  0.5705471     46.57815       9.955024  47.51720       10.72055      -0.2240793E-01 1.141094  
1 1 1 -12 10 20 o 1.948836  0.6523024     -4.799045      9.157279  -9.285706      10.05221      0.7545468E-01  1.304605  
1 1 1 -12 10 21 o 4.891193  0.8452888     38.97314       11.33211  30.70888       12.35459      0.9506087      1.690578  
1 1 1 -12 10 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 12 1  o 16.88980  0.6916426     311.3861       35.45918  271.5168       30.64955      1.139748       1.383285  
1 1 1 -12 12 2  o 8.237703  0.3723415     83.53645       10.23682  55.38770       7.203396      1.688012       0.7446830 
1 1 1 -12 12 3  o 12.25061  0.4708314     162.0961       16.25042  140.3689       16.21035      0.8904085      0.9416627 
1 1 1 -12 12 4  o 8.041939  0.3419430     67.56010       7.221037  61.85517       8.378728      0.3656001      0.6838860 
1 1 1 -12 12 5  o 12.30856  0.4780635     154.3922       16.54694  151.2287       16.61045      0.1293304      0.9561269 
1 1 1 -12 12 6  o 25.58013  0.9856545     698.1206       71.00962  643.3132       71.00325      1.075222       1.971309  
1 1 1 -12 12 7  o 28.71967  1.108324      849.4363       89.67169  850.8976       89.70732      -0.2516771E-01 2.216649  
1 1 1 -12 12 8  o 3.940523  0.2775100     14.72378       2.968314  16.70375       3.132359      -0.2514355     0.5550199 
1 1 1 -12 12 9  o 4.599835  0.2834785     21.31065       3.598024  21.41063       3.707046      -0.9617553E-02 0.5669570 
1 1 1 -12 12 10 o 12.56460  0.4811952     169.4118       17.00740  148.7547       17.02748      0.8257030      0.9623904 
1 1 1 -12 12 11 o 15.93147  0.6053599     275.4242       27.15406  238.9102       27.12733      1.150710       1.210720  
1 1 1 -12 12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 12 13 o 4.862160  0.4227461     28.65244       5.417364  19.05542       5.807274      1.025132       0.8454922 
1 1 1 -12 12 14 o 5.209255  0.4489335     27.33125       6.218117  28.49651       6.772199      -0.1010379     0.8978670 
1 1 1 -12 12 15 o 13.68606  1.861873      ?              ?         216.9158       49.64315      ?              ?         
1 1 1 -12 12 16 o 2.939156  0.6316177     16.28837       6.728647  -3.015529      7.530377      1.875354       1.263235  
1 1 1 -12 12 17 o 3.963757  0.6855754     8.182331       7.663282  26.95354       8.636521      -2.071167      1.371151  
1 1 1 -12 12 18 o 3.346935  0.7602910     5.195769       8.226799  20.58509       9.413935      -1.554987      1.520582  
1 1 1 -12 12 19 o 6.292058  0.6525641     56.80656       10.60008  34.03606       11.46154      1.956638       1.305128  
1 1 1 -12 12 20 o 4.489821  0.8168275     35.50241       10.55845  20.31986       11.62044      1.581954       1.633655  
1 1 1 -12 12 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 14 1  o 9.529128  0.3768207     100.0342       10.16706  82.59745       10.01689      0.9184062      0.7536414 
1 1 1 -12 14 2  o 11.99408  0.4754441     148.9871       17.32772  141.9861       15.03395      0.2777185      0.9508882 
1 1 1 -12 14 3  o 19.65280  0.7463350     397.1154       41.34470  387.4685       41.31833      0.2459752      1.492670  
1 1 1 -12 14 4  o 4.388980  0.2540562     19.90640       3.047555  18.86071       3.209326      0.1219968      0.5081123 
1 1 1 -12 14 5  o 31.34900  1.229052      1011.922       108.5447  1025.757       108.5537      -0.2212673     2.458103  
1 1 1 -12 14 6  o 38.51973  1.522052      1620.386       165.1238  1508.681       165.0646      1.454691       3.044103  
1 1 1 -12 14 7  o 10.49591  0.4094264     117.9535       12.08914  103.5913       12.09821      0.6872590      0.8188527 
1 1 1 -12 14 8  o 19.35758  0.7253353     395.1119       39.55756  366.1314       39.54899      0.7510816      1.450671  
1 1 1 -12 14 9  o 4.341640  0.3252566     18.43048       3.876441  19.80938       3.988591      -0.1589109     0.6505132 
1 1 1 -12 14 10 o 15.82473  0.6077717     272.5939       27.07260  235.5225       27.05110      1.176339       1.215543  
1 1 1 -12 14 11 o 17.89509  0.6874703     352.2204       34.62265  301.9862       34.59560      1.409648       1.374941  
1 1 1 -12 14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 14 13 o 6.192737  0.4158019     38.87760       6.949077  39.41238       7.470654      -0.3428626E-01 0.8316038 
1 1 1 -12 14 14 o 4.462110  0.5832356     23.53529       6.783960  17.74838       7.520288      0.6851579      1.166471  
1 1 1 -12 14 15 f 10.77261  0.4856100     129.9766       14.51974  108.9245       14.85453      0.9918827      0.9712200 
1 1 1 -12 14 16 o 6.308918  0.5263865     39.91777       8.746815  44.75224       9.733220      -0.3470173     1.052773  
1 1 1 -12 14 17 o 7.433931  0.5332810     61.91851       10.66264  56.59689       11.47243      0.4061991      1.066562  
1 1 1 -12 14 18 o 3.082262  0.8101172     7.048696       8.995927  15.72159       10.30830      -0.7820291     1.620234  
1 1 1 -12 14 19 o 3.911572  0.7265273     36.68869       10.18108  0.5914652E-01  11.44207      3.053406       1.453055  
1 1 1 -12 14 20 o 2.246472  0.7556278     -1.800791      11.47365  -0.7524462     15.07401      -0.2177218     1.511256  
1 1 1 -12 14 21 o 2.792291  0.8701599     20.20874       12.76744  15.09499       14.52611      0.3111116      1.740320  
1 1 1 -12 16 1  o 4.550706  0.2780111     21.31753       3.522946  20.45769       3.562710      0.9572963E-01  0.5560221 
1 1 1 -12 16 2  o 12.37157  0.5600165     167.4002       23.68491  146.5260       16.74021      0.7910118      1.120033  
1 1 1 -12 16 3  o 8.467319  0.3692617     79.70402       9.508641  65.38871       8.148808      0.8383755      0.7385233 
1 1 1 -12 16 4  o 9.836201  0.3917620     103.0514       10.82576  91.48388       10.86339      0.5908911      0.7835240 
1 1 1 -12 16 5  o 4.269217  0.3127646     18.39861       3.369934  18.57458       4.213315      -0.7309919E-02 0.6255292 
1 1 1 -12 16 6  o 20.77889  0.8019908     445.4240       46.92787  436.1994       46.97907      0.2231391      1.603982  
1 1 1 -12 16 7  o 6.177267  0.3367161     48.54309       6.181084  29.34472       5.374008      1.559141       0.6734321 
1 1 1 -12 16 8  o 29.78758  1.161353      951.0979       97.45567  913.7918       97.44847      0.6281613      2.322707  
1 1 1 -12 16 9  o 23.40069  0.8958659     608.6466       59.01327  524.3594       58.94904      1.808125       1.791732  
1 1 1 -12 16 10 o 4.916389  0.4199913     33.57436       5.236042  16.08218       5.578531      1.839294       0.8399825 
1 1 1 -12 16 11 o 3.804388  0.5281168     14.07942       5.144583  16.49138       5.858241      -0.3005901     1.056234  
1 1 1 -12 16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 16 13 f 4.415870  0.5781279     27.79940       6.665574  12.50959       7.486291      1.759129       1.156256  
1 1 1 -12 16 14 f 5.023823  0.5858413     34.00941       7.585464  18.69946       8.414158      1.603541       1.171683  
1 1 1 -12 16 15 o 2.927485  0.7166205     14.18191       7.645966  0.3696867      8.589842      1.225899       1.433241  
1 1 1 -12 16 16 o 5.383649  0.6576196     35.59261       9.308346  29.00096       10.05147      0.6823784      1.315239  
1 1 1 -12 16 17 o 4.789809  0.7663370     22.39164       9.488593  34.73996       10.88966      -1.121499      1.532674  
1 1 1 -12 16 18 o 3.289496  0.7708754     26.59944       10.10586  -3.471260      11.68762      2.180140       1.541751  
1 1 1 -12 16 19 o 2.381578  0.7633862     -6.606627      11.21081  15.10477       13.06247      -1.010006      1.526772  
1 1 1 -12 16 20 o 2.256602  0.7517629     14.04841       12.51453  -10.95384      14.79122      0.7088247      1.503526  
1 1 1 -12 18 1  o 13.73744  0.5629449     177.9897       21.76478  203.6288       21.74019      -0.9379384     1.125890  
1 1 1 -12 18 2  o 11.32311  0.5224152     141.8266       20.15962  121.6465       14.25364      0.8376007      1.044830  
1 1 1 -12 18 3  o 24.18390  0.9014815     646.7317       61.41296  554.9017       61.27900      1.905226       1.802963  
1 1 1 -12 18 4  o 27.23919  1.072931      818.1901       82.32595  726.0622       82.17364      1.696340       2.145863  
1 1 1 -12 18 5  o 5.643746  0.3243216     34.80320       4.975442  29.15485       5.277511      0.5096933      0.6486431 
1 1 1 -12 18 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 18 7  o 6.847769  0.3481569     55.35402       6.588304  39.31850       6.679645      1.183303       0.6963138 
1 1 1 -12 18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 18 9  o 5.667093  0.3966254     37.12107       5.951543  27.58259       6.519149      0.8688940      0.7932508 
1 1 1 -12 18 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 18 11 o 2.801564  0.6191504     12.19749       5.674453  1.331166       6.613729      1.191432       1.238301  
1 1 1 -12 18 12 o 9.248491  0.4513326     96.54762       11.41682  78.58917       11.98455      0.9925345      0.9026653 
1 1 1 -12 18 13 o 3.580123  0.7132215     17.03138       7.225178  10.08955       8.560607      0.7815051      1.426443  
1 1 1 -12 18 14 o 1.840149  0.6064788     -0.6369301     7.727875  -16.06151      8.844168      0.5142006      1.212958  
1 1 1 -12 18 15 o 3.789056  0.7695742     21.78468       8.595864  11.31075       9.858788      1.110619       1.539148  
1 1 1 -12 18 16 o 7.882838  0.5843454     70.89986       12.30164  70.76733       13.44051      0.1083931      1.168691  
1 1 1 -12 18 17 o 3.002469  0.8233146     3.214422       10.04890  22.24919       11.80827      -1.378799      1.646629  
1 1 1 -12 18 18 o 3.107168  1.458622      ?              ?         23.34582       22.99909      ?              ?         
1 1 1 -12 18 19 o 2.471218  0.8019465     19.70607       12.94413  -2.601144      15.10572      0.7934350      1.603893  
1 1 1 -12 20 1  o 6.932423  0.3617201     47.18355       7.170369  49.86816       6.917513      -0.1977353     0.7234402 
1 1 1 -12 20 2  o 11.14342  0.5745221     148.4478       19.86737  107.1159       16.19670      1.816321       1.149044  
1 1 1 -12 20 3  f 19.41301  0.7668741     408.0546       45.28493  372.5716       39.14548      0.8256725      1.533748  
1 1 1 -12 20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 20 5  f 5.173247  0.3829954     23.30150       5.336246  31.12853       5.643548      -0.7627727     0.7659908 
1 1 1 -12 20 6  o 11.45760  0.4667217     146.3578       14.96529  120.0832       15.07284      1.154432       0.9334435 
1 1 1 -12 20 7  o 6.830806  0.3892038     45.94661       7.077958  49.21424       7.892807      -0.2276725     0.7784077 
1 1 1 -12 20 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 20 9  o 2.860542  0.6645452     9.017487       5.817633  7.187869       6.804229      0.1648103      1.329090  
1 1 1 -12 20 10 o 4.236788  0.5834064     29.30406       6.527575  8.161119       7.725621      2.390538       1.166813  
1 1 1 -12 20 11 o 3.189552  0.6909782     14.28963       6.687467  6.106110       7.872299      0.8843547      1.381956  
1 1 1 -12 20 12 o 6.801345  0.5068426     50.20257       9.030026  47.48873       10.28591      0.2581481      1.013685  
1 1 1 -12 20 13 o 4.718720  0.7038981     18.65656       8.264380  33.35724       10.03506      -1.424054      1.407796  
1 1 1 -12 20 14 o 2.386787  0.7352651     2.383869       8.492465  1.008040       10.29968      -0.8220611E-01 1.470530  
1 1 1 -12 20 15 o 1.926808  0.6538042     -9.493287      9.560725  -8.004547      11.05575      -0.2051473     1.307608  
1 1 1 -12 20 16 f 3.861605  0.8254741     6.091251       10.73889  40.91237       12.65940      -2.720426      1.650948  
1 1 1 -12 20 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 22 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 22 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 22 5  o 5.383417  0.4445668     35.21548       6.317463  23.79127       6.782658      1.103105       0.8891337 
1 1 1 -12 22 6  o 3.286003  0.6342946     12.53498       5.832353  10.45714       6.403481      0.2726043      1.268589  
1 1 1 -12 22 7  o 5.017951  0.5370067     29.62165       6.617128  21.82171       8.461762      0.8781999      1.074013  
1 1 1 -12 22 8  o 9.934878  0.4689473     111.7194       12.66920  91.84055       13.47379      1.031626       0.9378945 
1 1 1 -12 22 9  f 4.038106  0.7298015     20.14849       8.527250  16.77134       8.228997      0.3758566      1.459603  
1 1 1 -12 22 10 o 3.009550  0.7155051     2.783162       6.860854  17.34615       8.882816      -1.578623      1.431010  
1 1 1 -12 22 11 o 5.164547  0.6402413     29.34432       8.271008  31.37173       10.02741      -0.6917778E-01 1.280483  
1 1 1 -12 22 12 o 6.424996  0.6010210     52.88651       9.912688  38.86591       11.26559      1.243063       1.202042  
1 1 1 -12 22 13 o 3.413282  0.8401583     13.40777       9.134899  18.74698       10.92456      -0.4470441     1.680317  
1 1 1 -12 22 14 o 2.775131  0.8140631     4.225059       9.788425  16.30977       11.95256      -0.8366677     1.628126  
1 1 1 -12 22 15 f 3.049486  1.020884      51.83054       28.39601  4.124769       20.55527      1.062927       2.041769  
1 1 1 -12 24 1  o 10.41321  0.4754710     118.9177       13.79945  104.9523       14.02905      0.6807031      0.9509420 
1 1 1 -12 24 2  o 9.366356  0.4828465     97.34111       13.90931  85.96456       11.71757      0.5469974      0.9656930 
1 1 1 -12 24 3  o 2.735922  0.6376836     -0.6795228E-01 6.383516  13.57127       6.698292      -1.495768      1.275367  
1 1 1 -12 24 4  o 6.164258  0.4702337     48.86902       8.133869  30.59374       7.727167      1.497770       0.9404674 
1 1 1 -12 24 5  o 3.098379  0.7064389     9.024203       6.476600  12.13153       7.725428      -0.3983759     1.412878  
1 1 1 -12 24 6  o 5.673049  0.5063173     35.70924       7.600703  32.38774       8.313085      0.3333704      1.012635  
1 1 1 -12 24 7  o 2.415935  0.6540070     -5.196336      7.014106  11.82997       7.868994      -1.478718      1.308014  
1 1 1 -12 24 8  o 4.941991  0.6635871     33.15106       8.230430  20.53547       10.41709      1.423612       1.327174  
1 1 1 -12 24 9  o 1.880274  0.6225669     -9.276145      7.788520  -1.830582      9.242944      -0.5221972     1.245134  
1 1 1 -12 24 10 o 3.120229  0.7791204     15.31862       8.122116  6.109600       10.50535      0.7688152      1.558241  
1 1 1 -12 24 11 o 2.817764  0.8104057     7.877462       8.883482  10.85281       11.71978      -0.2978949     1.620811  
1 1 1 -12 24 12 o 4.253277  0.8698483     27.93595       10.15072  26.92091       12.75187      0.4215289      1.739697  
1 1 1 -12 24 13 o 2.602327  0.8930913     32.12589       25.28711  -16.60494      18.98343      1.101891       1.786183  
1 1 1 -12 24 14 o 2.245715  0.7952590     1.292166       17.11184  -57.84171      35.11751      0.1611011      1.590518  
1 1 1 -12 26 1  o 3.004352  0.7087384     3.286305       7.328903  16.30384       8.038914      -1.369591      1.417477  
1 1 1 -12 26 2  o 4.195794  0.7438719     28.09315       10.01569  14.68835       7.909825      1.351155       1.487744  
1 1 1 -12 26 3  o 2.479594  0.7188315     -3.308149      8.080914  10.98305       9.654933      -1.156471      1.437663  
1 1 1 -12 26 4  o 3.802592  0.6609043     6.473594       7.732197  26.88550       8.002738      -2.242695      1.321809  
1 1 1 -12 26 5  o 8.259183  0.5264123     80.92400       12.91437  69.72368       11.48475      0.5851682      1.052825  
1 1 1 -12 26 6  o 7.768802  0.5140202     63.56790       10.74010  70.22255       11.61801      -0.3663940     1.028040  
1 1 1 -12 26 7  f 3.390284  0.8079079     13.95904       8.528410  16.71785       9.927773      -0.2325777     1.615816  
1 1 1 -12 26 8  o 4.423911  0.7878452     14.95941       9.840227  38.81422       11.15056      -2.208586      1.575690  
1 1 1 -12 26 9  o 4.058583  1.063123      33.03571       17.33784  30.50375       15.25631      -0.9422143E-02 2.126245  
1 1 1 -12 26 10 o 2.586449  0.8774916     9.602171       17.55876  -8.671496      20.58100      0.3577823      1.754983  
1 1 1 -12 26 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 28 1  o 2.831139  0.8671262     -1.731343      13.39129  17.89516       13.96062      -0.9837775     1.734252  
1 1 1 -12 28 2  o 2.750968  0.8699896     -11.76506      17.26291  16.22372       13.95249      -0.9191920     1.739979  
1 1 1 -12 28 3  o 3.304961  1.020171      7.858701       15.34917  37.93224       22.72774      -1.189225      2.040343  
1 1 1 -12 28 4  o 3.347873  0.9835396     14.06119       16.28640  24.83281       15.19396      -0.6009629     1.967079  
1 1 1 -12 28 5  o 2.958964  0.9157311     -5.768315      17.76279  27.37675       15.89439      -1.274629      1.831462  
1 1 1 -12 28 6  o 2.052520  0.7256744     -11.77610      18.05000  -29.09673      16.79688      0.3494858      1.451349  
1 1 1 -12 28 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 28 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -12 30 1  o 2.212916  0.7607617     -1.401955      11.55980  6.973294       20.01045      -0.4205148     1.521523  
1 1 1 -12 30 2  o 2.484106  0.8295426     6.172896       17.43099  12.38863       13.95672      -0.1719382     1.659085  
1 1 1 -12 30 3  o 3.196307  0.9508098     35.58020       15.57292  21.01996       14.13566      0.6548778      1.901620  
1 1 1 -11 1  1  o 50.98516  6.709475      3113.229       667.5789  ?              ?             ?              ?         
1 1 1 -11 1  2  f 39.17443  2.637102      1745.641       246.4855  1469.229       348.2069      4.645358       5.274204  
1 1 1 -11 1  3  o 43.29925  2.429784      2155.088       294.7103  1813.448       294.1360      3.976267       4.859569  
1 1 1 -11 1  4  o 24.81581  1.344941      694.0618       93.46536  564.4376       93.31144      2.634588       2.689882  
1 1 1 -11 1  5  o 23.64854  1.282511      627.5434       84.93017  516.8052       84.85689      2.361830       2.565023  
1 1 1 -11 1  6  o 13.81787  0.7522627     213.9805       29.10212  172.3174       29.05017      1.521282       1.504525  
1 1 1 -11 1  7  o 21.84257  1.203590      526.9505       73.70721  459.6846       73.61067      1.551352       2.407179  
1 1 1 -11 1  8  o 15.24020  0.8351445     251.0174       35.68967  223.9007       35.66913      0.8962482      1.670289  
1 1 1 -11 1  9  o 11.56924  0.6385073     146.1234       20.68962  125.6298       20.69436      0.8932637      1.277015  
1 1 1 -11 1  10 o 3.262839  0.2658594     12.60112       2.586112  9.122480       2.222727      0.5333952      0.5317187 
1 1 1 -11 1  11 o 15.07927  0.5773091     226.8465       24.52327  232.9752       24.53486      -0.2037582     1.154618  
1 1 1 -11 1  12 o 18.71403  0.7152762     349.6890       37.70644  360.7448       37.72604      -0.2961633     1.430552  
1 1 1 -11 1  13 o 6.486628  0.2966767     41.70271       5.399338  42.96437       5.427635      -0.9746337E-01 0.5933535 
1 1 1 -11 1  14 o 20.61304  0.8035590     429.8153       46.65544  437.5461       46.67792      -0.1879028     1.607118  
1 1 1 -11 1  15 o 8.309923  0.3662489     66.70576       8.555512  72.45371       8.565929      -0.3473870     0.7324978 
1 1 1 -11 1  16 o 14.67665  0.5786700     220.7538       23.93771  217.9902       23.91456      0.9418789E-01  1.157340  
1 1 1 -11 1  17 o 10.44896  0.4499366     111.2032       13.22155  110.7133       13.24726      0.2386304E-01  0.8998731 
1 1 1 -11 1  18 o 12.68561  0.5331665     161.4463       19.00736  169.5417       19.07190      -0.3190734     1.066333  
1 1 1 -11 1  19 f 4.381892  0.6075501     18.32630       7.226239  22.92862       7.292420      -0.5286890     1.215100  
1 1 1 -11 1  20 o 6.640830  0.5028713     50.29896       9.269352  43.04235       9.282146      0.5554413      1.005743  
1 1 1 -11 1  21 o 2.993634  0.7414633     2.365812       8.475981  16.71365       8.609612      -1.326182      1.482927  
1 1 1 -11 1  22 o 3.240526  0.7879628     20.85193       9.405768  6.669877       9.548529      1.281285       1.575926  
1 1 1 -11 1  23 o 3.448219  1.598757      ?              ?         39.47924       26.28009      ?              ?         
1 1 1 -11 3  1  o 23.51948  0.8363171     559.2692       55.44975  556.8367       55.46178      0.5189028E-01  1.672634  
1 1 1 -11 3  2  o 35.54404  1.469157      1297.764       137.5328  1287.526       158.8653      0.2689059      2.938313  
1 1 1 -11 3  3  o 2.980954  0.1733297     8.997574       1.382184  8.888782       1.525261      0.2053004E-01  0.3466594 
1 1 1 -11 3  4  o 5.233336  0.2154088     27.42046       3.176419  27.56961       3.172997      -0.1432157E-01 0.4308175 
1 1 1 -11 3  5  o 35.89554  1.379151      1300.296       139.4687  1351.043       139.4846      -0.7090183     2.758302  
1 1 1 -11 3  6  o 19.91447  0.7558607     408.9464       42.41091  394.2218       42.41653      0.3708758      1.511721  
1 1 1 -11 3  7  o 11.11984  0.4288584     122.2299       13.42918  126.7958       13.44194      -0.2058796     0.8577169 
1 1 1 -11 3  8  o 10.83563  0.4188820     119.2923       12.78826  117.3618       12.78900      0.8936218E-01  0.8377641 
1 1 1 -11 3  9  o 8.689542  0.4003296     74.65183       8.459480  79.05125       12.00369      -0.2239063     0.8006591 
1 1 1 -11 3  10 f 13.97267  0.7731674     204.5915       30.27794  194.4466       30.33185      0.3660410      1.546335  
1 1 1 -11 3  11 o 13.56568  0.7448687     187.0943       28.30974  188.0904       28.40304      -0.3606916E-01 1.489737  
1 1 1 -11 3  12 o 37.01316  2.198458      1569.558       227.9957  1479.854       227.8734      1.219109       4.396916  
1 1 1 -11 3  13 o 13.07230  0.7249784     177.4321       26.51282  170.5079       26.66094      0.2679712      1.449957  
1 1 1 -11 3  14 o 28.36196  1.655535      902.8750       131.5703  839.5068       131.5265      1.125132       3.311069  
1 1 1 -11 3  15 o 21.17032  1.226031      479.0179       72.69608  472.1267       72.84077      0.1665009      2.452061  
1 1 1 -11 3  16 o 15.80713  0.9131296     264.8735       40.32237  257.8277       40.61163      0.2297347      1.826259  
1 1 1 -11 3  17 o 16.97373  0.9957756     303.9922       47.16909  313.0613       47.57668      -0.2586374     1.991551  
1 1 1 -11 3  18 o 10.00280  0.6628841     106.9787       18.09887  102.7250       18.99594      0.2391028      1.325768  
1 1 1 -11 3  19 o 3.670853  0.7551386     19.35513       9.352116  11.32519       7.535096      0.9003255      1.510277  
1 1 1 -11 3  20 o 1.992523  0.6318659     -7.014297      7.625518  1.676427       7.699273      -0.5180817     1.263732  
1 1 1 -11 3  21 o 2.657535  0.7359365     0.6168690      8.376801  12.09369       8.790066      -0.9548252     1.471873  
1 1 1 -11 3  22 o 2.173774  0.6979254     -5.937770      9.506674  4.826999       9.794239      -0.5561984     1.395851  
1 1 1 -11 3  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 5  1  f 31.29453  1.146469      1047.350       101.0878  941.5623       101.0160      1.696064       2.292939  
1 1 1 -11 5  2  o 24.28360  0.9255173     594.4389       63.32774  599.6081       63.33859      -0.1066992     1.851035  
1 1 1 -11 5  3  o 17.55237  0.6661774     305.5331       32.93632  315.6313       32.96027      -0.2884318     1.332355  
1 1 1 -11 5  4  o 14.26793  0.5393230     211.2030       21.68816  198.5326       21.66943      0.4454044      1.078646  
1 1 1 -11 5  5  o 8.629719  0.3302142     74.43282       8.019268  75.22209       8.040624      -0.4575532E-01 0.6604285 
1 1 1 -11 5  6  o 7.952640  0.3064543     66.38303       6.869708  60.61757       6.856183      0.3637818      0.6129086 
1 1 1 -11 5  7  o 10.33730  0.3878019     108.2337       11.29253  106.9267       11.30331      0.6346777E-01  0.7756037 
1 1 1 -11 5  8  o 14.89786  0.5701931     226.6046       23.93515  222.7348       23.93736      0.1302865      1.140386  
1 1 1 -11 5  9  o 9.303800  0.3590409     82.34686       9.391796  91.73190       9.417446      -0.5062150     0.7180817 
1 1 1 -11 5  10 o 20.08614  0.7655680     406.0995       43.32202  415.3249       43.33933      -0.2301935     1.531136  
1 1 1 -11 5  11 o 29.86384  1.159134      923.2423       97.51518  921.2827       97.55225      0.3329989E-01  2.318267  
1 1 1 -11 5  12 o 27.56932  1.059804      799.2413       82.32560  763.0954       82.30236      0.6574726      2.119607  
1 1 1 -11 5  13 o 4.822360  0.3044642     27.76161       4.026329  19.06197       4.094862      0.9165091      0.6089283 
1 1 1 -11 5  14 o 8.816027  0.3742921     82.79327       9.255610  73.61280       9.306785      0.5236806      0.7485843 
1 1 1 -11 5  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 5  17 o 14.84430  1.040023      240.5280       37.19024  236.5607       52.95255      0.6386277      2.080047  
1 1 1 -11 5  18 o 5.252799  0.5166607     22.51446       7.179326  34.83499       7.567602      -1.194638      1.033321  
1 1 1 -11 5  19 o 7.094553  0.5872292     58.70829       9.537965  45.28543       14.41431      1.206490       1.174458  
1 1 1 -11 5  20 o 5.221577  0.8456584     34.80970       11.54438  30.16667       13.31956      0.5506618      1.691317  
1 1 1 -11 5  21 o 3.516620  0.8316453     29.13541       11.65014  -5.505077      13.63491      2.287197       1.663291  
1 1 1 -11 5  22 o 3.050211  0.9183170     12.33274       12.88566  14.48512       15.06004      -0.1264909     1.836634  
1 1 1 -11 5  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 7  1  o 20.73989  0.8679778     513.0787       50.27472  360.9842       50.09905      3.689569       1.735956  
1 1 1 -11 7  2  o 15.23377  0.5679909     234.3448       24.39433  233.3069       24.37932      0.3409024E-01  1.135982  
1 1 1 -11 7  3  o 20.58470  0.7739782     436.5211       44.89189  421.5269       44.89941      0.3653574      1.547956  
1 1 1 -11 7  4  o 18.00549  0.6836869     328.6393       34.69939  327.5575       34.68164      0.3002066E-01  1.367374  
1 1 1 -11 7  5  o 18.01712  0.6844417     334.8156       34.75130  323.1931       34.74286      0.3234788      1.368883  
1 1 1 -11 7  6  o 11.02007  0.4175397     128.9702       12.96074  115.4470       12.95101      0.6159340      0.8350795 
1 1 1 -11 7  7  o 12.58896  0.4715867     161.8631       16.72984  157.9924       16.73198      0.1541995      0.9431735 
1 1 1 -11 7  8  f 15.19003  0.5828588     233.8790       24.94729  233.5220       24.94877      0.1179664E-01  1.165718  
1 1 1 -11 7  9  o 16.75619  0.6375410     291.1577       30.10238  277.8832       30.09401      0.3973139      1.275082  
1 1 1 -11 7  10 o 13.55907  0.5088973     189.8721       19.44633  180.9829       19.43920      0.3287759      1.017795  
1 1 1 -11 7  11 o 34.26564  1.329859      1269.696       128.3564  1176.130       128.3036      1.369772       2.659719  
1 1 1 -11 7  12 o 13.53068  0.5172336     190.5799       19.71648  178.7273       19.71244      0.4394698      1.034467  
1 1 1 -11 7  13 o 11.89732  0.4642679     146.5062       15.54446  139.0099       15.57279      0.3163270      0.9285358 
1 1 1 -11 7  14 o 18.97497  0.7248802     374.8734       38.75604  360.4553       38.75143      0.3810751      1.449760  
1 1 1 -11 7  15 o 9.762999  0.4184873     97.68541       11.43528  95.09805       11.56778      0.1343412      0.8369746 
1 1 1 -11 7  16 o 11.05577  0.4634426     125.7950       14.35547  122.6196       14.49768      0.1459482      0.9268852 
1 1 1 -11 7  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 7  18 o 1.948438  0.6049297     -7.136400      6.650084  2.992565       7.210855      -0.7491910     1.209859  
1 1 1 -11 7  19 o 11.70444  0.5292589     149.0753       17.36533  140.0868       17.48093      0.3902205      1.058518  
1 1 1 -11 7  20 o 3.241881  0.7238377     19.55436       8.219314  2.087397       8.919911      1.656979       1.447675  
1 1 1 -11 7  21 o 2.441852  0.7440584     4.435576       9.039024  2.628079       9.669725      0.6754500E-01  1.488117  
1 1 1 -11 7  22 o 4.277225  0.8577908     21.85280       10.76059  34.87679       11.44625      -1.166367      1.715582  
1 1 1 -11 7  23 o 1.740589  0.6133301     -11.87893      11.78789  -18.13226      12.42066      0.8145639E-01  1.226660  
1 1 1 -11 9  1  o 13.41230  0.4843823     198.5778       18.30076  163.6397       18.23496      1.307724       0.9687645 
1 1 1 -11 9  2  o 17.00412  0.6903021     307.6244       35.66246  281.2186       30.87855      0.7426339      1.380604  
1 1 1 -11 9  3  o 5.101945  0.2351966     27.15426       3.130610  24.83472       3.681491      0.2340641      0.4703932 
1 1 1 -11 9  4  o 7.469665  0.2883783     55.22808       6.035230  56.94460       6.103389      -0.1148117     0.5767566 
1 1 1 -11 9  5  o 10.86178  0.4144315     124.6789       12.67593  112.8474       12.67573      0.5467488      0.8288629 
1 1 1 -11 9  6  o 12.11500  0.4643268     153.7597       15.84362  142.2501       15.84404      0.4767358      0.9286535 
1 1 1 -11 9  7  o 14.82567  0.5581488     224.9179       23.31713  219.7895       23.32181      0.1735026      1.116298  
1 1 1 -11 9  8  o 32.81944  1.292950      1146.688       119.5648  1107.946       119.4999      0.5913405      2.585899  
1 1 1 -11 9  9  o 9.040696  0.3501236     86.92262       8.897656  77.26914       8.923095      0.5363169      0.7002473 
1 1 1 -11 9  10 o 17.30969  0.6554427     308.0304       31.97117  298.5778       31.96871      0.2738576      1.310885  
1 1 1 -11 9  11 o 9.229037  0.3638928     88.86284       9.440939  82.37929       9.473256      0.3528025      0.7277856 
1 1 1 -11 9  12 o 16.31111  0.6120650     280.6183       28.12600  257.8266       28.11609      0.7010825      1.224130  
1 1 1 -11 9  13 o 15.12820  0.5784957     246.8131       24.64282  216.6593       24.62224      1.000672       1.156991  
1 1 1 -11 9  14 o 7.318412  0.3638398     59.56511       7.383080  48.28299       7.537651      0.7789256      0.7276797 
1 1 1 -11 9  15 o 8.640416  1.168083      78.65672       19.66892  ?              ?             ?              ?         
1 1 1 -11 9  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 9  17 o 4.509631  0.5802197     20.34976       6.835030  23.02997       7.439857      -0.2800262     1.160439  
1 1 1 -11 9  18 o 3.501070  0.7054782     16.83340       7.256202  9.270535       7.981621      0.8690297      1.410956  
1 1 1 -11 9  19 o 3.453541  0.7526733     10.21744       7.860884  17.40913       8.564061      -0.7939730     1.505347  
1 1 1 -11 9  20 f 3.090297  0.7815263     15.65206       8.725340  5.450186       9.637027      0.8878529      1.563053  
1 1 1 -11 9  21 o 2.995061  0.7989202     18.26442       9.666100  3.697990       10.61098      1.105800       1.597840  
1 1 1 -11 9  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 9  23 o 1.689106  0.6007244     -18.52931      12.31043  -15.61386      13.41406      -0.1140172     1.201449  
1 1 1 -11 11 1  o 11.76836  0.4789468     156.7216       17.05717  124.2570       14.74091      1.366149       0.9578937 
1 1 1 -11 11 2  o 2.828408  0.2377330     8.661752       1.927422  7.605383       1.801617      0.1864923      0.4754660 
1 1 1 -11 11 3  o 17.77591  0.6589501     311.8777       32.99763  329.5179       33.01484      -0.4975964     1.317900  
1 1 1 -11 11 4  o 8.805441  0.3560845     85.45450       8.760500  70.39185       8.856313      0.8607538      0.7121690 
1 1 1 -11 11 5  o 7.016967  0.2822047     52.31959       5.557467  46.53619       5.587718      0.4142014      0.5644093 
1 1 1 -11 11 6  o 8.717264  0.3350835     81.43069       8.227539  71.24267       8.214284      0.5867897      0.6701669 
1 1 1 -11 11 7  o 3.822223  0.2504578     18.74059       2.585587  10.87368       2.620822      1.047408       0.5009156 
1 1 1 -11 11 8  f 22.29722  0.8476505     516.6156       53.26362  496.7391       53.24382      0.4469508      1.695301  
1 1 1 -11 11 9  o 18.15009  0.6874202     344.1546       35.15657  323.1432       35.14161      0.5806639      1.374840  
1 1 1 -11 11 10 o 17.03267  0.6442760     307.3466       30.91358  279.6071       30.89666      0.8172385      1.288552  
1 1 1 -11 11 11 o 13.93082  0.5262531     211.2645       20.63364  180.3350       20.61759      1.114939       1.052506  
1 1 1 -11 11 12 o 13.56913  0.5150368     195.4420       19.66958  176.6318       19.69014      0.6959806      1.030074  
1 1 1 -11 11 13 o 6.676421  0.4630246     56.27661       9.338048  35.35559       7.818236      1.564221       0.9260491 
1 1 1 -11 11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 11 15 o 4.780089  0.4920361     26.28528       6.149022  20.24822       6.761769      0.6695628      0.9840721 
1 1 1 -11 11 16 o 7.031903  0.4446021     54.50782       8.530796  46.40222       8.945044      0.5926655      0.8892041 
1 1 1 -11 11 17 f 9.097000  0.4665349     97.65636       11.68236  73.13926       11.99303      1.369385       0.9330697 
1 1 1 -11 11 18 o 1.760656  0.5912309     -6.832988      7.553300  -10.49132      8.467387      0.1836862E-01  1.182462  
1 1 1 -11 11 19 o 3.039094  0.7649190     3.857393       8.307675  16.89351       9.385774      -1.237777      1.529838  
1 1 1 -11 11 20 o 2.476315  0.7547606     0.6406834      9.188664  7.829272       10.35448      -0.5256975     1.509521  
1 1 1 -11 11 21 o 2.640033  0.7980883     13.22504       10.51256  2.438184       11.55835      0.5958035      1.596177  
1 1 1 -11 11 22 o 2.228305  0.7469853     2.329027       12.03812  2.964078       13.23683      -0.6065566E-01 1.493971  
1 1 1 -11 13 1  o 17.75398  0.6819166     333.0133       34.12121  306.8008       34.07185      0.7405202      1.363833  
1 1 1 -11 13 2  o 5.086921  0.2510829     31.06696       3.851772  21.39749       3.309091      0.9508284      0.5021659 
1 1 1 -11 13 3  o 11.22854  0.4185530     130.0143       13.22929  123.8980       13.25721      0.2733798      0.8371060 
1 1 1 -11 13 4  o 26.10175  1.093697      713.3085       75.20044  691.7133       86.77804      0.5437782      2.187394  
1 1 1 -11 13 5  o 18.19988  0.6957811     338.2977       35.67312  333.7515       35.69265      0.1254171      1.391562  
1 1 1 -11 13 6  o 20.38237  0.7766513     444.2465       44.58474  399.4806       44.56028      1.102304       1.553303  
1 1 1 -11 13 7  o 16.47446  0.6223648     281.9146       28.88097  266.8650       28.89393      0.4583318      1.244730  
1 1 1 -11 13 8  o 11.86822  0.4507154     152.9183       15.05933  130.5071       15.03877      0.9482743      0.9014307 
1 1 1 -11 13 9  o 6.990395  0.3076065     56.78597       5.974056  41.53299       6.034742      1.099359       0.6152131 
1 1 1 -11 13 10 o 11.51743  0.4397564     144.8624       14.24072  122.3073       14.24916      0.9837944      0.8795128 
1 1 1 -11 13 11 o 26.64350  0.9883197     785.0978       74.18620  684.9258       74.05608      1.885874       1.976639  
1 1 1 -11 13 12 o 10.92732  0.4410137     132.7135       13.50347  108.4458       13.56636      1.117119       0.8820273 
1 1 1 -11 13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 13 14 f 13.07208  0.5259940     188.1406       19.27683  160.5521       19.39080      1.062375       1.051988  
1 1 1 -11 13 15 o 2.265127  0.6459814     0.3888235      6.091578  5.051241       6.943964      -0.5371414     1.291963  
1 1 1 -11 13 16 o 4.421588  0.6329807     22.13757       7.260739  20.00615       8.156558      0.2778240      1.265961  
1 1 1 -11 13 17 o 7.417368  0.5020359     62.94880       10.01571  52.29428       10.76056      0.7604393      1.004072  
1 1 1 -11 13 18 o 7.545220  0.5359104     69.26189       10.84009  53.26289       11.58267      1.125196       1.071821  
1 1 1 -11 13 19 f 3.907670  0.7957441     26.36179       9.460491  11.97814       10.71996      1.457409       1.591488  
1 1 1 -11 13 20 o 3.003093  0.7536840     25.79902       10.40581  -9.315318      11.58940      2.200046       1.507368  
1 1 1 -11 13 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 15 1  o 3.800114  0.2580729     13.38835       2.768787  15.66311       2.700705      -0.3043419     0.5161458 
1 1 1 -11 15 2  o 26.56510  1.105014      771.8184       89.15218  690.1201       77.12347      1.419218       2.210029  
1 1 1 -11 15 3  o 15.64632  0.5705746     250.3777       25.15882  244.0479       25.16835      0.2029040      1.141149  
1 1 1 -11 15 4  o 11.83655  0.4578311     151.6798       15.25315  130.2557       15.23810      0.9090386      0.9156622 
1 1 1 -11 15 5  o 32.76311  1.226789      1183.235       113.2165  1039.448       113.0717      2.201828       2.453578  
1 1 1 -11 15 6  o 12.42358  0.4746218     170.8382       16.57944  140.0227       16.56186      1.246127       0.9492435 
1 1 1 -11 15 7  o 27.56560  1.050835      812.5533       81.60831  753.1868       81.57059      1.080279       2.101670  
1 1 1 -11 15 8  o 11.47922  0.4550858     142.1786       14.67756  123.3139       14.71549      0.8258484      0.9101716 
1 1 1 -11 15 9  o 3.696618  0.3768778     10.03083       3.592403  17.96759       3.920214      -1.098556      0.7537556 
1 1 1 -11 15 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 15 11 o 6.150466  0.3606634     40.28572       6.011619  35.96347       6.431829      0.3605489      0.7213269 
1 1 1 -11 15 12 o 3.198414  0.5474001     15.48208       5.028930  4.585971       5.707644      1.457647       1.094800  
1 1 1 -11 15 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 15 14 o 12.32140  0.5193166     176.0585       17.84238  136.3401       18.00231      1.625476       1.038633  
1 1 1 -11 15 15 o 7.913039  0.4739378     76.44511       10.09463  52.91240       10.64122      1.524748       0.9478757 
1 1 1 -11 15 16 o 3.621762  0.7357470     17.54469       7.689962  11.33214       8.701402      0.6998220      1.471494  
1 1 1 -11 15 17 o 2.398432  0.6962167     9.822215       8.191855  -9.371356      9.568407      1.083323       1.392433  
1 1 1 -11 15 18 o 2.767462  0.7693051     13.84370       9.092857  -1.054716      10.43795      0.9942279      1.538610  
1 1 1 -11 15 19 o 2.279267  0.7332715     -6.687166      10.14928  8.694278       11.81886      -0.8154218     1.466543  
1 1 1 -11 15 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 17 1  o 5.500193  0.2828470     33.26446       4.419219  27.59532       4.301352      0.5180331      0.5656940 
1 1 1 -11 17 2  o 17.80317  0.7310215     350.8930       39.46051  296.3378       34.10197      1.492144       1.462043  
1 1 1 -11 17 3  o 3.257257  0.3321595     11.66043       2.867877  9.829968       3.074867      0.2943478      0.6643190 
1 1 1 -11 17 4  o 18.57868  0.7150115     380.4181       37.40137  320.4370       37.31075      1.621070       1.430023  
1 1 1 -11 17 5  o 20.06894  0.8274769     422.6289       43.73798  397.9641       50.48059      0.6862668      1.654954  
1 1 1 -11 17 6  o 3.461539  0.3820125     13.31997       3.419522  10.91725       3.852426      0.3694232      0.7640250 
1 1 1 -11 17 7  o 18.20955  0.7406080     357.8301       40.97284  323.3510       35.45404      0.8876604      1.481216  
1 1 1 -11 17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 17 9  o 3.579148  0.4698194     14.56353       4.354196  11.62366       4.894745      0.4322030      0.9396387 
1 1 1 -11 17 10 o 7.375818  0.3761513     62.63018       7.564871  47.13623       7.921379      1.065586       0.7523026 
1 1 1 -11 17 11 o 3.986636  0.5235708     25.15388       5.433279  7.645923       6.240306      2.157184       1.047142  
1 1 1 -11 17 12 f 10.78511  0.5136692     128.6408       14.25436  107.8917       17.07399      1.027485       1.027338  
1 1 1 -11 17 13 f 6.432393  0.4665344     41.70382       7.994924  44.11838       8.793271      -0.1677440     0.9330689 
1 1 1 -11 17 14 o 2.729172  0.7245083     5.863454       7.033744  7.465215       8.201927      -0.2499574     1.449017  
1 1 1 -11 17 15 o 2.950294  0.7548946     10.43539       7.631161  6.602206       8.909654      0.2975536      1.509789  
1 1 1 -11 17 16 o 1.887085  0.6306515     -3.819400      8.360191  -13.42575      9.765246      0.2021299      1.261303  
1 1 1 -11 17 17 o 6.471129  0.6884823     68.85928       11.04632  31.22654       12.13441      3.101313       1.376965  
1 1 1 -11 17 18 o 3.101896  0.8237567     22.58588       10.54655  1.208916       12.49871      1.438856       1.647513  
1 1 1 -11 17 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 19 1  o 29.93520  1.278880      959.3963       116.3825  942.3802       100.8350      0.2405222E-01  2.557760  
1 1 1 -11 19 2  o 22.78772  1.026083      580.2425       65.72756  498.8167       65.63326      1.795936       2.052167  
1 1 1 -11 19 3  o 21.73333  0.8149973     499.8071       49.91130  470.0575       49.89571      0.6864902      1.629995  
1 1 1 -11 19 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 19 5  o 5.138228  0.3410959     29.66274       4.705272  23.35668       5.062312      0.6292081      0.6821917 
1 1 1 -11 19 6  o 25.17643  1.000166      789.5112       70.15387  544.7303       69.97673      4.887263       2.000332  
1 1 1 -11 19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 19 8  o 13.24575  0.5165228     188.4673       19.19081  168.5634       19.32882      0.7564101      1.033046  
1 1 1 -11 19 9  o 6.130822  0.4111688     41.51355       6.694711  34.44218       7.400403      0.5996073      0.8223376 
1 1 1 -11 19 10 o 6.360217  0.4291495     47.39972       7.226713  34.63100       7.906221      1.037617       0.8582990 
1 1 1 -11 19 11 o 7.882366  0.4243364     65.76001       9.050097  61.22867       9.759477      0.3051035      0.8486728 
1 1 1 -11 19 12 o 5.201986  0.5496585     29.42687       7.331139  27.80007       8.478086      0.2096874      1.099317  
1 1 1 -11 19 13 f 5.556588  0.5783226     39.47583       8.203711  25.66346       9.309508      1.347142       1.156645  
1 1 1 -11 19 14 o 1.906298  0.6195186     -13.35400      7.936906  1.803889       9.109058      -0.8667579     1.239037  
1 1 1 -11 19 15 o 3.819208  0.7884260     10.84882       8.813568  26.18195       10.14453      -1.524032      1.576852  
1 1 1 -11 19 16 o 2.770174  0.7937148     11.99094       9.308167  2.937743       10.98941      0.5569742      1.587430  
1 1 1 -11 19 17 o 5.417515  0.8364424     45.91969       11.90886  38.44874       13.56383      0.9708975      1.672885  
1 1 1 -11 19 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 21 2  o 11.93578  0.8163915     164.2277       33.20667  139.7143       23.45033      0.8280063      1.632783  
1 1 1 -11 21 3  o 17.91717  0.6828887     340.4747       34.45906  320.1164       34.47651      0.5703303      1.365777  
1 1 1 -11 21 4  o 2.049090  0.5387455     0.4716340E-01  4.170368  6.154284       4.758576      -0.8328936     1.077491  
1 1 1 -11 21 5  o 10.71437  0.4369172     130.0003       13.09567  102.9514       13.16695      1.270592       0.8738344 
1 1 1 -11 21 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 21 7  o 3.883631  0.8105306     25.88867       10.63253  3.387885       10.91941      2.018224       1.621061  
1 1 1 -11 21 8  o 4.220581  0.5564306     18.75646       6.044871  19.09460       6.833663      -0.1268494E-01 1.112861  
1 1 1 -11 21 9  o 4.306560  0.5718964     20.55786       6.253036  18.76211       7.351345      0.2543372      1.143793  
1 1 1 -11 21 10 f 5.328056  0.5268601     31.79520       7.112077  27.41369       8.499615      0.4837391      1.053720  
1 1 1 -11 21 11 o 2.510406  0.6925983     7.555013       6.823007  0.6768540      8.025964      0.4855010      1.385197  
1 1 1 -11 21 12 o 3.115011  0.7215223     1.848100       7.453360  19.58457       9.067379      -1.809260      1.443045  
1 1 1 -11 21 13 o 2.341221  0.7050911     6.341430       7.894766  -4.660969      9.571350      0.5342315      1.410182  
1 1 1 -11 21 14 o 3.039895  0.7745531     0.6873500      8.884639  21.83398       10.60376      -1.762534      1.549106  
1 1 1 -11 21 15 o 2.265452  0.6949646     12.32788       9.707145  -18.79332      11.37000      1.266490       1.389929  
1 1 1 -11 21 16 o 3.301884  0.8709790     41.39750       14.86255  -5.301851      13.99144      2.490657       1.741958  
1 1 1 -11 23 1  o 3.159121  0.6107895     8.368625       5.753797  12.58792       5.632592      -0.5765220     1.221579  
1 1 1 -11 23 2  o 6.196846  0.4593115     41.19567       9.192558  38.56961       7.075052      0.1613189      0.9186231 
1 1 1 -11 23 3  o 6.617715  0.4020097     49.73704       7.307487  39.36717       7.536142      0.7983507      0.8040195 
1 1 1 -11 23 4  o 5.912300  0.4518647     43.43090       7.813503  29.01070       6.939254      1.216009       0.9037294 
1 1 1 -11 23 5  o 11.53038  0.4768904     159.2509       15.34304  115.0204       15.35388      1.930462       0.9537807 
1 1 1 -11 23 6  o 2.136001  0.6150630     2.738181       5.387951  1.547256       6.401625      -0.2725879E-01 1.230126  
1 1 1 -11 23 7  o 5.581277  0.5704898     43.35157       7.464640  21.83058       9.422153      2.080096       1.140980  
1 1 1 -11 23 8  o 4.693563  0.6038837     26.30831       7.084172  20.51247       8.797077      0.7178361      1.207767  
1 1 1 -11 23 9  o 6.800940  0.5523947     56.18574       10.67829  43.27823       10.08178      0.9351904      1.104789  
1 1 1 -11 23 10 o 3.926614  0.7475752     13.78129       7.471958  24.10883       9.807580      -1.051516      1.495150  
1 1 1 -11 23 11 o 4.384733  0.7513602     19.07710       8.247815  29.00994       10.38544      -0.8969322     1.502720  
1 1 1 -11 23 12 o 3.693874  0.7462620     4.468240       8.695501  31.12944       10.34320      -2.495125      1.492524  
1 1 1 -11 23 13 o 7.135182  0.6506397     68.66307       11.91114  54.57033       13.64327      1.253140       1.301279  
1 1 1 -11 23 14 o 3.171102  0.8651708     10.25276       10.36508  25.16750       12.49238      -1.016759      1.730342  
1 1 1 -11 23 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 25 1  o 4.794980  0.5572538     27.20695       7.174278  21.80759       7.393456      0.5903306      1.114508  
1 1 1 -11 25 2  o 7.072678  0.5085233     57.42120       12.18446  50.26992       8.699525      0.3625089      1.017047  
1 1 1 -11 25 3  o 3.905728  0.6422415     14.41542       7.025169  19.31073       6.975230      -0.6053586     1.284483  
1 1 1 -11 25 4  o 3.583279  0.6707845     15.26851       6.419144  13.39678       7.684396      0.2612213      1.341569  
1 1 1 -11 25 5  o 2.437294  0.6685952     6.959413       6.416344  2.031949       7.116751      0.4008079      1.337190  
1 1 1 -11 25 6  o 3.971989  0.6578361     20.32177       6.878510  14.82519       8.112403      0.7133371      1.315672  
1 1 1 -11 25 7  o 4.361702  0.6786012     27.51507       7.980803  15.48977       8.989137      1.380978       1.357202  
1 1 1 -11 25 8  o 3.774821  0.7121599     25.11885       7.876506  4.076747       11.46823      1.970179       1.424320  
1 1 1 -11 25 9  o 2.744192  0.7413066     11.79863       7.497646  0.8337014      10.37732      0.7073216      1.482613  
1 1 1 -11 25 10 o 2.307446  0.7024450     -8.050503      8.483615  13.23532       11.01359      -1.379838      1.404890  
1 1 1 -11 25 11 o 3.944610  0.8076386     6.989312       9.552726  42.30044       12.68975      -2.849324      1.615277  
1 1 1 -11 25 12 o 2.286005  0.7840965     -6.911126      15.03940  -1.680396      16.56765      -0.1975473     1.568193  
1 1 1 -11 25 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 27 1  o 6.351202  0.5497651     49.38434       9.166378  39.26366       10.11394      0.8934783      1.099530  
1 1 1 -11 27 2  o 3.269140  0.7759162     10.33732       9.357575  15.20535       8.077477      -0.4917753     1.551832  
1 1 1 -11 27 3  o 2.508165  0.7074419     7.730307       7.803923  3.806787       7.448527      0.3639750      1.414884  
1 1 1 -11 27 4  o 3.130714  0.7668175     12.63980       8.399611  11.81733       8.158726      0.8322829E-01  1.533635  
1 1 1 -11 27 5  o 7.957354  0.8992641     87.86145       19.78279  83.91776       19.33368      0.1871433      1.798528  
1 1 1 -11 27 6  o 4.445872  1.003317      41.96568       14.75389  21.02629       16.36966      1.684967       2.006635  
1 1 1 -11 27 7  o 3.063914  0.9433135     5.932255       15.25504  20.83040       16.13199      -0.7035450     1.886627  
1 1 1 -11 27 8  o 4.179500  1.115135      43.89329       17.91600  32.67591       19.01383      0.7884751      2.230269  
1 1 1 -11 27 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 27 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -11 29 7  o 2.143310  0.7225496     3.290720       10.82989  -1.216624      14.02959      0.2905107E-01  1.445099  
1 1 1 -10 0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 0  5  o 38.43223  2.995823      1539.820       226.9651  1539.820       226.9651      ?              ?         
1 1 1 -10 0  6  o 1.402221  0.5198875     2.637967       1.353051  2.637967       1.353051      ?              ?         
1 1 1 -10 0  7  o 33.20472  1.778433      1127.821       117.3258  1127.821       117.3258      ?              ?         
1 1 1 -10 0  8  o 4.981587  0.3124202     25.12236       3.084304  25.12236       3.084304      ?              ?         
1 1 1 -10 0  9  o 24.02864  1.291276      589.2014       61.64315  589.2014       61.64315      ?              ?         
1 1 1 -10 0  10 o 13.31858  0.7221990     179.6141       19.10721  179.6141       19.10721      ?              ?         
1 1 1 -10 0  11 o 11.08972  0.6114721     124.3960       13.46719  124.3960       13.46719      ?              ?         
1 1 1 -10 0  12 o 3.808453  0.3775867     14.93872       2.806418  14.93872       2.806418      ?              ?         
1 1 1 -10 0  13 o 16.21984  0.8944395     266.6546       28.81220  266.6546       28.81220      ?              ?         
1 1 1 -10 0  14 o 15.28739  0.8433909     236.9094       25.60580  236.9094       25.60580      ?              ?         
1 1 1 -10 0  15 o 24.75446  1.370898      627.9058       67.39233  627.9058       67.39233      ?              ?         
1 1 1 -10 0  16 o 1.050750  0.7109076     -2.163690      4.405043  -2.163690      4.405043      ?              ?         
1 1 1 -10 0  17 o 15.49215  0.8737872     244.9594       26.87518  244.9594       26.87518      ?              ?         
1 1 1 -10 0  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 0  19 o 3.191253  1.137981      13.78567       6.623189  13.78567       6.623189      ?              ?         
1 1 1 -10 0  20 o 4.399747  1.025986      22.98606       7.849175  22.98606       7.849175      ?              ?         
1 1 1 -10 0  21 o 6.921439  0.7592759     51.55083       10.18899  51.55083       10.18899      ?              ?         
1 1 1 -10 0  22 o 6.572841  0.8430230     48.51125       10.58299  48.51125       10.58299      ?              ?         
1 1 1 -10 0  23 o 2.078361  1.276457      7.910215       10.24146  7.910215       10.24146      ?              ?         
1 1 1 -10 0  24 o 2.392843  1.423955      15.00826       11.93680  15.00826       11.93680      ?              ?         
1 1 1 -10 2  1  f 35.94918  1.305484      1313.566       132.2885  1312.739       132.3045      0.1161625E-01  2.610969  
1 1 1 -10 2  2  f 44.45831  1.719262      2054.498       215.3619  2006.282       215.3519      0.5438943      3.438524  
1 1 1 -10 2  3  o 21.45835  1.181256      462.6823       71.11530  475.0304       71.13382      -0.2894585     2.362512  
1 1 1 -10 2  4  o 16.21883  1.257564      266.6852       40.47383  ?              ?             ?              ?         
1 1 1 -10 2  5  o 31.14202  1.690797      1164.409       146.7095  846.4383       146.4557      5.156823       3.381594  
1 1 1 -10 2  6  o 16.99617  0.9142870     315.8129       43.57486  270.7026       43.51302      1.337426       1.828574  
1 1 1 -10 2  7  o 24.31143  1.321747      679.5050       89.94922  545.4326       89.77504      2.781524       2.643495  
1 1 1 -10 2  8  o 13.35106  0.7332044     200.2265       27.39540  162.0546       27.36724      1.442773       1.466409  
1 1 1 -10 2  9  o 21.07261  1.170596      506.7581       69.05342  418.6097       68.97758      2.110094       2.341192  
1 1 1 -10 2  10 o 3.545638  0.3281036     14.94975       3.091349  10.31382       3.268317      0.6784897      0.6562073 
1 1 1 -10 2  11 o 4.964250  0.3481297     25.40659       4.683817  24.44095       4.974733      0.1023706      0.6962593 
1 1 1 -10 2  12 o 28.32248  1.616097      895.6037       128.2966  811.0198       128.1872      1.503610       3.232194  
1 1 1 -10 2  13 f 15.14078  0.8464700     242.8164       35.90329  225.4359       35.96871      0.5787458      1.692940  
1 1 1 -10 2  14 o 28.85730  1.450478      952.6492       131.1810  829.6680       106.9675      1.769242       2.900956  
1 1 1 -10 2  15 o 16.93268  0.6638570     278.0102       31.63675  305.1283       31.66075      -0.8037126     1.327714  
1 1 1 -10 2  16 o 23.42869  0.9222302     560.5852       60.84190  581.6996       60.88480      -0.4514352     1.844460  
1 1 1 -10 2  17 o 4.905231  0.4389311     21.59165       5.836578  27.58817       6.010557      -0.6208581     0.8778622 
1 1 1 -10 2  18 o 7.014058  0.4599113     49.58966       9.577987  51.18916       8.546260      -0.1369130     0.9198226 
1 1 1 -10 2  19 o 5.314017  0.5082659     26.10689       7.317351  32.88438       7.501224      -0.6465541     1.016532  
1 1 1 -10 2  20 f 3.914675  0.6996213     18.64206       7.705202  16.07808       7.828998      0.3079944      1.399243  
1 1 1 -10 2  21 o 2.445774  0.7085494     8.284473       8.170043  -0.7853897     8.187101      0.6879618      1.417099  
1 1 1 -10 2  22 o 2.295305  0.7133183     5.818373       9.044969  -2.214431      9.271999      0.4523454      1.426637  
1 1 1 -10 2  23 o 2.173603  0.7214887     -0.9771554     10.42531  -0.4698116     12.15955      -0.1253313     1.442977  
1 1 1 -10 2  24 o 2.066847  0.6867710     14.62791       11.77382  -15.38293      12.02010      0.9594620      1.373542  
1 1 1 -10 4  1  o 23.03571  0.8251079     566.2031       53.55808  502.8955       53.50941      1.378989       1.650216  
1 1 1 -10 4  2  o 10.19376  0.4110650     99.06938       11.00939  110.6299       12.72817      -0.5607471     0.8221300 
1 1 1 -10 4  3  o 18.17552  0.6539000     333.7508       33.50456  331.4858       33.50570      0.6247520E-01  1.307800  
1 1 1 -10 4  4  o 30.73117  1.156015      970.6744       100.1417  951.8149       100.0911      0.3074679      2.312030  
1 1 1 -10 4  5  o 22.97627  0.8631366     549.5380       55.87481  519.2310       55.87656      0.6616793      1.726273  
1 1 1 -10 4  6  f 13.81061  0.5280730     195.1650       20.55062  189.1441       20.54757      0.2186384      1.056146  
1 1 1 -10 4  7  o 28.31915  1.081451      841.4608       86.31352  808.9786       86.26361      0.5748349      2.162902  
1 1 1 -10 4  8  o 6.761227  0.2704080     46.54637       5.142982  45.34283       5.156561      0.8939642E-01  0.5408159 
1 1 1 -10 4  9  o 24.25728  0.9218876     628.5361       63.00745  579.8682       62.96392      1.006317       1.843775  
1 1 1 -10 4  10 o 23.44178  0.8889534     573.9714       58.71619  552.0542       58.71692      0.4689491      1.777907  
1 1 1 -10 4  11 o 20.04088  0.7679105     416.4121       43.36539  400.5696       43.35384      0.3964150      1.535821  
1 1 1 -10 4  12 f 18.23797  0.7001360     343.5015       35.98232  330.8323       35.96997      0.3483454      1.400272  
1 1 1 -10 4  13 o 7.509067  0.3235673     59.87176       6.810486  53.39582       6.856112      0.4337371      0.6471347 
1 1 1 -10 4  14 o 25.55532  1.177455      686.4321       73.26706  671.2929       103.6295      0.7182801      2.354910  
1 1 1 -10 4  15 o 14.30421  0.8100514     215.6518       32.39057  205.5689       32.59369      0.3576485      1.620103  
1 1 1 -10 4  16 o 13.12812  0.7582700     181.2473       27.72716  174.8584       28.08972      0.2509008      1.516540  
1 1 1 -10 4  17 o 6.841035  0.5665702     47.84391       10.29205  49.02087       11.28715      -0.6517512E-01 1.133140  
1 1 1 -10 4  18 o 9.289729  0.6364475     86.75417       16.01301  94.04413       17.04090      -0.3689880     1.272895  
1 1 1 -10 4  19 o 3.062424  0.8125689     7.604233       8.680213  9.685110       10.53902      -0.3063544     1.625138  
1 1 1 -10 4  20 o 3.977491  0.8269833     26.59154       10.31005  7.676913       11.89183      1.695644       1.653967  
1 1 1 -10 4  21 o 2.734321  0.8175276     10.95183       10.73155  -4.512270      12.66496      0.7327021      1.635055  
1 1 1 -10 4  22 o 3.729176  0.9094208     5.825389       12.68474  37.46566       14.27167      -2.202697      1.818842  
1 1 1 -10 4  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 4  24 o 3.957602  1.041803      53.03247       18.19876  39.87772       13.85865      -0.5044746E-01 2.083606  
1 1 1 -10 6  1  o 29.30121  1.190858      960.4346       91.13245  776.9668       105.0861      3.235620       2.381716  
1 1 1 -10 6  2  o 52.13915  2.064633      2853.619       303.2218  2863.223       303.2946      -0.9174560E-01 4.129266  
1 1 1 -10 6  3  f 36.59798  1.420807      1332.242       146.4341  1420.123       146.4828      -1.204544      2.841614  
1 1 1 -10 6  4  o 6.024757  0.2393987     34.16931       4.052982  38.61755       4.064789      -0.3707138     0.4787974 
1 1 1 -10 6  5  o 8.309255  0.3215896     68.73612       7.526835  70.00581       7.531106      -0.7661563E-01 0.6431793 
1 1 1 -10 6  6  o 13.58736  0.5155761     188.0074       19.73755  184.4499       19.74394      0.1313403      1.031152  
1 1 1 -10 6  7  o 6.811353  0.2671440     47.17765       5.113401  46.05788       5.139072      0.8263631E-01  0.5342880 
1 1 1 -10 6  8  o 3.398628  0.2157703     13.15701       2.025295  10.03887       2.056136      0.4655956      0.4315406 
1 1 1 -10 6  9  f 3.740298  0.2243604     14.21649       2.331039  13.99931       2.371673      0.2982653E-01  0.4487208 
1 1 1 -10 6  10 o 17.52631  0.6653528     320.9054       32.85132  301.8290       32.85157      0.5460522      1.330706  
1 1 1 -10 6  11 o 16.60168  0.6339061     285.2990       29.65250  272.4447       29.64750      0.3883516      1.267812  
1 1 1 -10 6  12 o 15.76916  0.6004443     256.2867       26.67564  246.3736       26.68106      0.3153434      1.200889  
1 1 1 -10 6  13 o 15.78389  0.6083161     250.4597       27.03880  253.9198       27.06968      -0.1097200     1.216632  
1 1 1 -10 6  14 o 1.865245  0.4935426     3.722223       3.481013  1.180055       3.692180      0.3203347      0.9870853 
1 1 1 -10 6  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 6  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 6  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 6  18 o 6.413629  0.4474496     42.62072       7.861871  42.14814       8.169060      0.4492545E-01  0.8948992 
1 1 1 -10 6  19 o 1.784635  0.5857605     -2.475250      6.881240  -9.463624      7.568748      0.2448620      1.171521  
1 1 1 -10 6  20 f 2.416972  0.6972981     7.662948       7.712714  -1.814488      8.188718      0.6800724      1.394596  
1 1 1 -10 6  21 o 3.272398  0.7805736     16.73457       8.565469  9.343966       9.143816      0.7331071      1.561147  
1 1 1 -10 6  22 o 7.149275  0.6244222     50.40512       11.92815  73.94111       12.41983      -1.623056      1.248844  
1 1 1 -10 6  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 6  24 f 4.355335  0.9824722     62.22466       14.39945  50.16618       20.87117      2.293625       1.964944  
1 1 1 -10 8  1  o 14.03846  0.5609217     213.7133       23.89275  185.2589       20.66251      0.9989253      1.121843  
1 1 1 -10 8  2  o 23.67153  0.8419375     535.7715       56.10681  599.1700       56.17517      -1.343497      1.683875  
1 1 1 -10 8  3  o 8.528318  0.3424462     79.43823       8.185619  66.53159       8.232300      0.7609349      0.6848924 
1 1 1 -10 8  4  o 13.59274  0.5112877     185.7952       19.58776  186.8213       19.58467      -0.3787206E-01 1.022575  
1 1 1 -10 8  5  o 14.73180  0.5551981     226.0144       23.04273  212.2659       23.04285      0.4681809      1.110396  
1 1 1 -10 8  6  o 23.43061  0.9022184     582.7233       59.54989  542.4830       59.53155      0.8616083      1.804437  
1 1 1 -10 8  7  o 9.438193  0.3637017     91.58386       9.666646  87.72900       9.674932      0.2049368      0.7274033 
1 1 1 -10 8  8  o 25.00158  0.9571635     662.7272       67.43002  623.1652       67.39255      0.7934896      1.914327  
1 1 1 -10 8  9  o 26.46705  1.018108      747.3566       75.91488  694.4306       75.87474      1.003029       2.036217  
1 1 1 -10 8  10 o 17.24162  0.6559435     311.7674       31.86183  290.0252       31.85216      0.6326577      1.311887  
1 1 1 -10 8  11 o 13.36831  0.5084659     183.8607       19.14338  176.5510       19.16085      0.2743685      1.016932  
1 1 1 -10 8  12 o 14.70939  0.5638819     216.6611       23.35168  220.6354       23.39136      -0.1352369     1.127764  
1 1 1 -10 8  13 o 12.16613  0.4779404     150.5068       16.35458  148.3636       16.40839      0.8875246E-01  0.9558808 
1 1 1 -10 8  14 o 13.71454  0.5314786     198.9498       20.51967  181.8136       20.53031      0.6272596      1.062957  
1 1 1 -10 8  15 o 15.05091  0.5848001     239.5806       24.77928  221.6715       24.79580      0.5973623      1.169600  
1 1 1 -10 8  16 o 15.12017  0.6016944     238.2039       25.59545  230.6863       25.65624      0.2503636      1.203389  
1 1 1 -10 8  17 o 14.67427  0.5961756     235.4403       24.60141  209.2775       24.62870      0.8961385      1.192351  
1 1 1 -10 8  18 o 9.872110  0.4711819     106.7782       12.96426  94.11052       13.16541      0.6509181      0.9423639 
1 1 1 -10 8  19 o 5.044289  0.6052994     30.64514       8.040831  24.17659       8.649292      0.6940440      1.210599  
1 1 1 -10 8  20 o 3.410075  0.7340702     20.44858       8.259899  5.151784       8.959222      1.534065       1.468140  
1 1 1 -10 8  21 o 3.964728  0.8106450     20.14008       9.207933  22.30785       10.03698      -0.1601359     1.621290  
1 1 1 -10 8  22 o 2.393166  0.7540017     4.405585       9.984699  4.634273       10.68032      -0.4513289E-01 1.508003  
1 1 1 -10 8  23 o 2.641253  0.8213892     13.35875       11.43243  12.94321       12.36698      0.4019970E-01  1.642778  
1 1 1 -10 10 1  o 17.26369  0.6552612     325.5243       31.84480  277.4867       31.80274      1.397241       1.310522  
1 1 1 -10 10 2  o 24.04277  0.9891723     618.0087       72.29133  574.6688       62.59877      0.8058875      1.978345  
1 1 1 -10 10 3  o 9.753119  0.3769252     99.88715       10.34450  91.44143       10.36010      0.4347361      0.7538503 
1 1 1 -10 10 4  o 7.930141  0.3141913     66.47392       6.986934  59.85014       7.040664      0.4198123      0.6283826 
1 1 1 -10 10 5  o 5.318712  0.2293765     31.48146       3.438163  25.31820       3.408400      0.5826373      0.4587530 
1 1 1 -10 10 6  o 6.531593  0.2645304     43.75133       4.853538  41.99295       4.878110      0.1352685      0.5290608 
1 1 1 -10 10 7  o 18.35487  0.7045080     353.6651       36.43240  330.9273       36.41617      0.6214172      1.409016  
1 1 1 -10 10 8  o 14.70146  0.5590381     225.1539       23.15598  211.4982       23.14970      0.4659604      1.118076  
1 1 1 -10 10 9  o 26.21952  1.006616      727.1671       74.36368  683.1307       74.32751      0.8423225      2.013233  
1 1 1 -10 10 10 o 7.623133  0.3105569     66.49151       6.627905  50.34775       6.630306      1.065208       0.6211139 
1 1 1 -10 10 11 o 18.64070  0.6953789     364.0189       36.52316  340.4481       36.51674      0.6342947      1.390758  
1 1 1 -10 10 12 o 13.80139  0.5283008     198.9455       20.52413  185.8331       20.55232      0.4769155      1.056602  
1 1 1 -10 10 13 o 13.49281  0.5203599     192.7522       19.75872  175.4594       19.78258      0.6435186      1.040720  
1 1 1 -10 10 14 o 4.156869  0.4385318     21.48476       4.738972  13.35891       5.166397      1.023786       0.8770637 
1 1 1 -10 10 15 o 23.66195  0.9306108     608.8357       62.03915  569.1246       61.98418      0.8411152      1.861222  
1 1 1 -10 10 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 10 17 o 7.883499  0.4385267     63.79062       9.470239  63.93752       9.946262      0.1394638E-02  0.8770533 
1 1 1 -10 10 18 o 5.103439  0.5766861     28.64284       7.718628  27.29332       8.419431      0.1699678      1.153372  
1 1 1 -10 10 19 o 6.879428  0.5277120     56.30387       9.829797  44.78208       10.28476      0.8792459      1.055424  
1 1 1 -10 10 20 o 2.595429  0.7528849     2.349333       8.518531  9.385890       9.526401      -0.5903425     1.505770  
1 1 1 -10 10 21 o 3.081073  0.8078368     19.09426       9.643554  5.903703       10.68534      1.051663       1.615674  
1 1 1 -10 10 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 10 23 o 2.260885  0.7516520     -2.499285      12.32293  20.35315       13.74069      -0.7891655     1.503304  
1 1 1 -10 12 1  o 5.968865  0.2470053     41.01476       4.180351  30.67627       4.077223      0.8702240      0.4940105 
1 1 1 -10 12 2  o 21.96958  0.9772102     542.7682       73.39406  469.1717       51.85580      1.413497       1.954420  
1 1 1 -10 12 3  o 11.78774  0.4551159     146.6650       15.10655  133.4460       15.10626      0.5628887      0.9102317 
1 1 1 -10 12 4  o 6.764830  0.2913788     51.14634       5.446559  40.68905       5.607857      0.7794906      0.5827576 
1 1 1 -10 12 5  o 14.22693  0.5364904     217.4357       21.49750  191.1419       21.47444      0.9277384      1.072981  
1 1 1 -10 12 6  o 9.274500  0.3632737     90.64363       9.472066  82.27621       9.499592      0.4531066      0.7265473 
1 1 1 -10 12 7  o 31.33294  1.223120      1047.853       107.9645  989.7117       107.9234      0.9305850      2.446241  
1 1 1 -10 12 8  o 7.672051  0.3059903     60.67022       6.589113  57.59920       6.634075      0.2011521      0.6119807 
1 1 1 -10 12 9  o 15.98723  0.5967700     270.8510       26.87464  245.2928       26.86660      0.8022556      1.193540  
1 1 1 -10 12 10 o 9.282775  0.3633942     95.11912       9.459618  78.05049       9.496679      0.9243531      0.7267883 
1 1 1 -10 12 11 o 7.262115  0.3224500     56.31878       6.521444  49.62692       6.645218      0.4644017      0.6448999 
1 1 1 -10 12 12 o 5.425068  0.3375684     33.09264       4.969008  26.01631       5.246418      0.6650636      0.6751367 
1 1 1 -10 12 13 o 16.15636  0.6130258     289.0681       27.86021  242.3712       27.84196      1.451681       1.226052  
1 1 1 -10 12 14 o 15.92630  0.6193438     264.9650       27.73262  254.6244       27.84287      0.3272804      1.238688  
1 1 1 -10 12 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 12 16 o 5.123543  0.5182749     28.41850       6.951290  26.24258       7.691942      0.2429432      1.036550  
1 1 1 -10 12 17 o 4.955031  0.5823326     32.29755       7.509950  19.24475       8.219284      1.390545       1.164665  
1 1 1 -10 12 18 o 7.270558  0.5102817     47.57447       9.798975  65.28098       10.81029      -1.186044      1.020563  
1 1 1 -10 12 19 o 4.174691  0.7458704     27.48297       8.905990  13.72440       9.816141      1.488298       1.491741  
1 1 1 -10 12 20 o 4.684398  0.7965447     23.61316       9.912385  35.29507       11.07133      -1.037919      1.593089  
1 1 1 -10 12 21 o 3.767105  0.9066727     21.18368       11.00861  28.62746       12.25009      -0.5136572     1.813345  
1 1 1 -10 12 22 o 2.572351  0.7536754     28.49211       11.91323  -15.61311      13.36815      1.850677       1.507351  
1 1 1 -10 14 1  o 10.76864  0.4111190     125.2377       12.47038  108.0456       12.44446      0.8015962      0.8222379 
1 1 1 -10 14 2  o 21.85037  0.8954910     494.7092       59.52168  484.1798       51.54503      0.1660713      1.790982  
1 1 1 -10 14 3  o 13.33832  0.4994684     188.4164       18.76797  170.1784       18.75629      0.6861714      0.9989368 
1 1 1 -10 14 4  f 23.00229  0.9438673     559.0658       57.18040  519.5541       65.97033      0.9466457      1.887735  
1 1 1 -10 14 5  o 17.21412  0.6548000     317.3298       31.73697  282.0473       31.73011      1.028952       1.309600  
1 1 1 -10 14 6  o 11.85371  0.4505282     150.0358       15.03985  132.6885       15.02822      0.7346712      0.9010563 
1 1 1 -10 14 7  o 18.82342  0.7195001     369.2598       38.15413  349.3709       38.15403      0.5300630      1.439000  
1 1 1 -10 14 8  o 19.42511  0.7296728     404.8930       39.92667  360.6725       39.89119      1.142467       1.459346  
1 1 1 -10 14 9  o 13.03632  0.4908563     177.9949       18.01407  164.7944       18.03681      0.5082386      0.9817126 
1 1 1 -10 14 10 o 3.794014  0.3632087     16.44809       3.600948  12.45547       3.979610      0.5520814      0.7264175 
1 1 1 -10 14 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 14 12 o 6.570534  0.3649131     50.17833       6.534361  36.83477       6.813920      1.031117       0.7298262 
1 1 1 -10 14 13 o 12.36484  0.4981561     161.7311       17.25532  149.1173       17.42811      0.5144190      0.9963122 
1 1 1 -10 14 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 14 15 o 7.962354  0.4445801     74.34339       9.579226  55.14518       10.13062      1.232786       0.8891602 
1 1 1 -10 14 16 o 2.014115  0.6341525     -3.890462      6.798315  0.3610369      8.039918      -0.4486638     1.268305  
1 1 1 -10 14 17 f 5.790117  0.5734087     39.15315       8.649538  32.66674       9.650301      0.6342820      1.146817  
1 1 1 -10 14 18 o 6.231352  0.6243566     55.99234       9.852310  30.69938       10.82662      2.177458       1.248713  
1 1 1 -10 14 19 o 3.753362  0.8434722     15.50607       9.548347  24.06141       10.83141      -0.7622762     1.686944  
1 1 1 -10 14 20 o 2.268414  0.7359027     -4.229049      10.31046  7.633027       11.76256      -0.6131957     1.471805  
1 1 1 -10 14 21 o 2.780072  0.9634745     22.01077       23.42069  22.84740       28.75061      0.4037975E-01  1.926949  
1 1 1 -10 16 1  o 28.33486  1.095836      872.3127       87.43008  779.0273       87.38613      1.652543       2.191671  
1 1 1 -10 16 2  o 8.678562  0.3586725     84.17815       9.445471  68.09644       8.127918      0.9206640      0.7173451 
1 1 1 -10 16 3  o 20.86232  0.8464514     462.5218       53.70081  428.2868       46.46020      0.7625162      1.692903  
1 1 1 -10 16 4  o 13.58445  0.5244352     200.2450       20.04769  171.6853       20.03606      1.055930       1.048870  
1 1 1 -10 16 5  o 11.61945  0.4899866     161.0347       15.81091  112.0649       15.89759      2.122108       0.9799731 
1 1 1 -10 16 6  o 26.74977  1.036354      748.5906       78.10798  725.9415       78.09873      0.4246052      2.072708  
1 1 1 -10 16 7  o 13.04558  0.4878296     183.6237       17.90918  159.5062       17.91557      0.9283040      0.9756592 
1 1 1 -10 16 8  o 18.04837  0.6783551     359.9735       34.46297  302.1339       34.40118      1.609066       1.356710  
1 1 1 -10 16 9  o 20.98999  1.502996      541.8547       72.79229  398.7697       102.4455      4.203800       3.005991  
1 1 1 -10 16 10 o 16.73474  0.6273794     299.6243       29.55605  271.0647       29.58009      0.8568172      1.254759  
1 1 1 -10 16 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 16 12 o 12.89436  0.5088186     189.6386       18.34755  149.2518       18.45744      1.576341       1.017637  
1 1 1 -10 16 13 o 6.240180  0.7057818     55.99270       11.27887  25.94437       12.27946      2.507219       1.411564  
1 1 1 -10 16 14 o 4.931875  0.5558395     30.77665       7.037284  19.36094       7.942289      1.231913       1.111679  
1 1 1 -10 16 15 o 5.101066  0.5901110     34.27689       7.732511  20.41305       8.692115      1.448132       1.180222  
1 1 1 -10 16 16 o 6.586866  0.5360665     46.19515       9.301687  47.23604       10.40060      -0.2304151E-01 1.072133  
1 1 1 -10 16 17 o 4.119962  0.7763655     12.96683       8.731796  29.52498       10.37453      -1.645478      1.552731  
1 1 1 -10 16 18 o 1.823106  0.6267532     -13.05248      9.386311  -10.16580      11.12913      -0.2748868     1.253506  
1 1 1 -10 16 19 o 3.133846  0.8578935     18.93006       10.45183  10.91596       12.19080      0.6238996      1.715787  
1 1 1 -10 16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 18 1  o 15.78924  0.6112681     250.9350       27.19431  254.1772       27.19337      -0.1029947     1.222536  
1 1 1 -10 18 2  o 18.69351  0.7735119     380.9027       43.87882  335.1120       37.96798      1.172474       1.547024  
1 1 1 -10 18 3  f 9.721818  0.3824216     98.85372       10.43431  91.34666       10.50439      0.3880863      0.7648432 
1 1 1 -10 18 4  o 31.55558  1.248482      1099.995       110.9909  989.8171       110.7900      1.750251       2.496964  
1 1 1 -10 18 5  o 27.72931  1.084643      839.6487       84.71155  760.7436       84.63590      1.427507       2.169287  
1 1 1 -10 18 6  o 14.11780  0.5429644     215.8735       21.53864  187.5471       21.60270      1.008294       1.085929  
1 1 1 -10 18 7  o 3.600641  0.7517942     6.200774       7.640280  21.21457       9.713413      -1.683394      1.503588  
1 1 1 -10 18 8  o 1.793431  0.4900044     -3.272564      3.832813  5.547105       4.470432      -1.080887      0.9800088 
1 1 1 -10 18 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 18 10 o 10.07204  0.4217571     114.3640       11.79341  91.11993       12.03530      1.164363       0.8435143 
1 1 1 -10 18 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 18 12 o 5.592141  0.4837734     33.19317       7.120086  31.51323       7.921619      0.1768703      0.9675468 
1 1 1 -10 18 13 o 2.524457  0.6875634     4.977383       6.460597  4.902424       7.474186      -0.9472720E-01 1.375127  
1 1 1 -10 18 14 o 6.355567  0.5216686     46.45503       8.779099  38.33158       9.608437      0.6909888      1.043337  
1 1 1 -10 18 15 o 3.098233  0.7358230     2.577940       7.717107  18.61577       9.109580      -1.611763      1.471646  
1 1 1 -10 18 16 o 5.176004  0.6955602     39.79331       9.389254  22.32989       10.71124      1.808142       1.391120  
1 1 1 -10 18 17 o 4.769554  0.7397668     45.22971       10.28592  13.23934       11.80960      3.036356       1.479534  
1 1 1 -10 18 18 o 3.301647  0.8849373     10.85513       10.93799  27.76969       12.90619      -1.158001      1.769875  
1 1 1 -10 18 19 o 2.664022  1.342731      ?              ?         14.93250       33.17860      ?              ?         
1 1 1 -10 20 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 20 2  o 16.22023  0.6772969     296.9607       33.24600  243.3821       28.77552      1.603121       1.354594  
1 1 1 -10 20 3  o 8.480204  0.3673568     82.90989       8.710654  62.22223       8.718077      1.228071       0.7347137 
1 1 1 -10 20 4  o 12.72388  0.4934632     183.9375       17.64445  144.2596       17.58599      1.566759       0.9869264 
1 1 1 -10 20 5  o 5.223939  0.3604653     36.03594       4.940700  19.64119       5.168751      1.604701       0.7209305 
1 1 1 -10 20 6  o 19.07199  0.7863032     409.9699       39.22542  339.5446       45.22420      1.964655       1.572606  
1 1 1 -10 20 7  o 15.81163  0.5992730     300.9705       26.49362  212.9382       26.38282      2.797077       1.198546  
1 1 1 -10 20 8  o 5.268937  0.7083535     48.14018       9.168080  7.778286       13.20122      3.479024       1.416707  
1 1 1 -10 20 9  o 5.752036  0.4271212     32.09782       6.442254  36.11712       7.309504      -0.3332286     0.8542423 
1 1 1 -10 20 10 o 2.839675  0.6489579     9.713332       5.663254  6.147537       6.530325      0.3920366      1.297916  
1 1 1 -10 20 11 o 3.778251  0.6052342     22.82928       6.402139  6.070000       7.682975      1.946037       1.210468  
1 1 1 -10 20 12 o 4.911286  0.5933273     29.74840       7.430414  21.13789       8.667981      0.9653069      1.186655  
1 1 1 -10 20 13 o 6.492933  0.5394531     48.75738       9.188455  40.97681       10.26299      0.6716107      1.078906  
1 1 1 -10 20 14 o 2.762239  0.7316669     12.81073       7.908824  -0.5747659     9.296823      1.012241       1.463334  
1 1 1 -10 20 15 o 2.453963  0.6899249     -13.90196      8.781015  17.11512       10.33572      -1.948886      1.379850  
1 1 1 -10 20 16 o 6.710690  0.6994079     66.16718       11.96404  45.89912       13.50808      1.791036       1.398816  
1 1 1 -10 20 17 o 2.766051  0.9548689     19.92631       28.21328  1.986207       21.08437      0.3908824      1.909738  
1 1 1 -10 20 18 f 2.941067  0.8930817     24.66354       12.90057  15.26896       15.02370      0.5831747      1.786163  
1 1 1 -10 22 1  o 2.805737  0.5495097     5.704215       4.610370  10.46426       4.633411      -0.7183704     1.099019  
1 1 1 -10 22 2  o 13.52285  0.5644698     197.7252       23.12796  178.5807       20.10310      0.6620104      1.128940  
1 1 1 -10 22 3  o 6.273996  0.3682272     39.54475       6.254770  40.52180       6.720855      -0.7094765E-01 0.7364543 
1 1 1 -10 22 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 22 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 22 6  o 10.93598  0.4558379     140.4436       13.89501  104.1458       13.97495      1.671676       0.9116758 
1 1 1 -10 22 7  f 4.636128  0.5160638     25.70287       5.914439  17.91949       7.415278      0.9228352      1.032128  
1 1 1 -10 22 8  o 13.95344  0.5573060     216.7604       21.74731  188.4341       22.00262      1.027109       1.114612  
1 1 1 -10 22 9  o 4.607333  0.5618632     25.76683       6.519941  18.39251       7.876810      0.8837457      1.123726  
1 1 1 -10 22 10 o 2.826001  0.7126204     6.215842       6.480496  10.40797       8.118614      -0.5403009     1.425241  
1 1 1 -10 22 11 o 6.440764  0.5243901     49.20187       8.867117  38.78051       9.837054      0.8823119      1.048780  
1 1 1 -10 22 12 o 2.469865  0.7215778     5.993770       7.562774  0.9378074      9.269510      0.2201797      1.443156  
1 1 1 -10 22 13 o 2.580242  0.7578139     3.661216       8.218832  8.053978       10.23184      -0.4467323     1.515628  
1 1 1 -10 22 14 o 4.059202  0.7838521     31.73418       9.775122  11.70966       11.30637      1.978702       1.567704  
1 1 1 -10 22 15 o 2.807685  0.8337688     9.473629       10.39669  13.38043       12.11482      -0.2526993     1.667538  
1 1 1 -10 22 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 24 1  o 7.357606  0.4356126     67.62326       9.194164  44.20464       8.568091      1.594385       0.8712251 
1 1 1 -10 24 2  o 9.769958  0.4899162     109.5685       12.87086  86.66517       13.92521      1.211040       0.9798324 
1 1 1 -10 24 3  o 10.55210  0.4550121     138.3022       13.40444  92.10131       13.25653      2.200847       0.9100242 
1 1 1 -10 24 4  o 4.256304  0.5195383     20.57687       5.724926  17.46200       6.410094      0.4049677      1.039077  
1 1 1 -10 24 5  o 3.996001  0.5511982     10.52656       5.404637  24.45127       6.681682      -1.697032      1.102396  
1 1 1 -10 24 6  o 7.220006  0.4180477     61.14188       8.297088  46.43137       8.522652      1.038440       0.8360954 
1 1 1 -10 24 7  o 4.438053  0.6052652     23.66037       6.879406  18.83023       8.021331      0.6124111      1.210530  
1 1 1 -10 24 8  o 10.21551  0.5090520     123.6291       13.97221  97.37280       15.11006      1.350936       1.018104  
1 1 1 -10 24 9  o 7.031250  0.5757741     54.51731       11.66093  54.55139       10.85902      -0.5537749E-01 1.151548  
1 1 1 -10 24 10 o 7.109312  0.5560994     60.63700       10.03384  50.20293       12.06714      0.9110864      1.112199  
1 1 1 -10 24 11 o 2.081868  0.6739193     0.2446606      8.265384  -5.902035      9.922313      0.1249597      1.347839  
1 1 1 -10 24 12 o 4.423338  0.7683179     34.03654       9.609038  17.71533       11.06322      1.765811       1.536636  
1 1 1 -10 24 13 o 2.881991  0.8343616     10.47137       9.815610  14.94813       12.02500      -0.2897473     1.668723  
1 1 1 -10 24 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 26 1  o 2.877044  0.7256207     9.086058       7.340826  8.156427       7.577547      0.8595976E-01  1.451241  
1 1 1 -10 26 2  o 3.437256  0.6651149     4.178851       8.405411  19.83415       6.958695      -1.675120      1.330230  
1 1 1 -10 26 3  o 2.672384  0.6590016     3.157913       6.807762  10.56248       6.172063      -0.7700885     1.318003  
1 1 1 -10 26 4  o 4.689163  0.5993550     22.44041       7.931955  26.36859       7.422516      -0.4645961     1.198710  
1 1 1 -10 26 5  f 4.090263  0.6407062     14.98073       6.702569  23.86478       7.798173      -0.9882869     1.281412  
1 1 1 -10 26 6  o 2.172131  0.6575716     -4.112612      7.082278  7.029390       8.514460      -0.9155021     1.315143  
1 1 1 -10 26 7  o 2.990431  0.7599281     8.437775       7.660528  13.36694       8.883600      -0.5037705     1.519856  
1 1 1 -10 26 8  o 2.365045  0.7408900     4.017279       8.293397  -3.282038      12.50005      0.4003858E-01  1.481780  
1 1 1 -10 26 9  o 1.907048  0.6687976     -23.34169      15.15923  -18.09395      12.33944      0.1251345      1.337595  
1 1 1 -10 26 10 o 3.065653  0.9195972     30.92760       15.63284  -12.55817      19.51510      1.611437       1.839194  
1 1 1 -10 26 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 28 1  o 3.404889  0.9145743     8.526816       12.61799  24.41474       13.03062      -1.113836      1.829149  
1 1 1 -10 28 2  o 5.971996  0.9536448     75.10550       17.89657  31.53261       14.80408      2.980755       1.907290  
1 1 1 -10 28 3  o 3.475560  0.9760912     19.80391       14.36349  17.85533       14.30903      0.1235791      1.952182  
1 1 1 -10 28 4  o 3.657606  0.9785005     30.48072       14.52570  13.93851       14.68411      1.103268       1.957001  
1 1 1 -10 28 5  o 3.649141  0.9719308     38.11223       15.74787  9.296322       14.78753      1.745293       1.943862  
1 1 1 -10 28 6  o 5.213361  1.103788      48.42886       16.78050  55.38264       18.38662      -0.2378712     2.207575  
1 1 1 -10 28 7  o 2.725266  0.8971284     17.42475       16.69837  -0.9920495     18.06606      0.5625408      1.794257  
1 1 1 -10 28 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 28 9  o 2.485487  0.8395087     8.882572       14.02257  6.767265       20.66362      -0.7767609E-02 1.679017  
1 1 1 -10 30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -10 30 3  o 2.599013  0.7932727     2.566946       9.382443  26.82901       14.00220      -1.250915      1.586545  
1 1 1 -10 30 4  f 2.428031  0.7388493     -2.531945      8.683826  26.07645       12.87750      -1.534091      1.477699  
1 1 1 -9  1  1  o 3.183573  0.2963606     10.22611       1.865298  ?              ?             ?              ?         
1 1 1 -9  1  2  o 23.01721  1.601328      708.8787       78.82275  373.7092       110.8614      7.683449       3.202655  
1 1 1 -9  1  3  o 55.98907  3.163219      3878.341       493.7879  2906.544       492.6161      8.763808       6.326438  
1 1 1 -9  1  4  f 16.47927  0.8799391     308.9566       40.55942  239.4921       40.48227      2.127264       1.759878  
1 1 1 -9  1  5  o 71.48255  4.590401      6892.035       913.9384  5528.368       912.2701      9.637828       9.180801  
1 1 1 -9  1  6  o 13.57401  0.7347208     213.5102       27.84723  158.7939       27.77606      2.035538       1.469442  
1 1 1 -9  1  7  o 28.14782  1.543974      950.7880       121.1719  700.6317       120.9241      4.488219       3.087948  
1 1 1 -9  1  8  o 3.105860  0.2816296     10.96805       2.342229  8.427719       2.469512      0.4233970      0.5632591 
1 1 1 -9  1  9  f 7.304935  0.4100000     55.80398       8.362961  51.96453       8.432920      0.2654087      0.8199999 
1 1 1 -9  1  10 o 19.23163  0.7932451     382.5809       46.41085  374.4578       40.18052      0.1500059      1.586490  
1 1 1 -9  1  11 o 21.28155  0.8175366     464.2820       49.02868  460.3634       49.02138      0.9227488E-01  1.635073  
1 1 1 -9  1  12 o 34.37347  1.359788      1258.444       131.6822  1213.443       131.6334      0.6561965      2.719575  
1 1 1 -9  1  13 o 11.66430  0.4584671     138.0628       15.06276  136.1607       15.06875      0.8183143E-01  0.9169342 
1 1 1 -9  1  14 o 32.38229  1.276949      1101.992       116.4995  1088.137       116.4838      0.2144160      2.553898  
1 1 1 -9  1  15 o 4.167303  0.3512157     17.95952       4.027818  17.38180       4.088416      0.7159602E-01  0.7024314 
1 1 1 -9  1  16 o 12.67416  0.5039628     163.5228       17.98056  162.1606       18.00565      0.5415691E-01  1.007926  
1 1 1 -9  1  17 o 4.517614  0.4487480     22.44060       5.550389  19.43963       5.579727      0.3408400      0.8974960 
1 1 1 -9  1  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  1  19 o 7.974247  0.4377004     63.61655       9.787570  67.16035       9.796332      -0.2234717     0.8754007 
1 1 1 -9  1  20 o 6.181101  0.4969997     39.68137       8.508600  41.09440       8.558691      -0.1138066     0.9939993 
1 1 1 -9  1  21 o 9.705893  0.5075517     103.3882       13.82205  99.63080       13.84342      0.1958813      1.015103  
1 1 1 -9  1  22 o 3.205245  0.7235230     22.33823       8.760582  1.848410       8.694330      1.901720       1.447046  
1 1 1 -9  1  23 f 1.805980  0.6156827     -15.26802      9.646110  -1.004004      9.770011      -0.4810728     1.231365  
1 1 1 -9  1  24 o 2.310999  0.7481226     3.305393       11.10211  10.23916       11.10651      -0.3102318     1.496245  
1 1 1 -9  3  1  o 18.74394  0.6591657     372.5449       34.82754  333.4207       34.78745      1.047152       1.318331  
1 1 1 -9  3  2  o 6.323193  0.2497422     39.09670       4.435640  41.13352       4.460022      -0.1614842     0.4994843 
1 1 1 -9  3  3  o 33.91410  1.275019      1208.844       121.8662  1128.608       121.7692      1.186470       2.550038  
1 1 1 -9  3  4  o 41.70108  1.588323      1795.753       186.7034  1776.667       186.5899      0.2288247      3.176647  
1 1 1 -9  3  5  o 35.47083  1.329200      1383.849       132.7116  1185.637       132.6089      2.805613       2.658400  
1 1 1 -9  3  6  o 24.94154  0.9384387     638.0947       65.96931  624.6265       65.95299      0.2706930      1.876877  
1 1 1 -9  3  7  o 7.967000  0.3069941     65.84788       6.889194  61.60989       6.889192      0.2669050      0.6139882 
1 1 1 -9  3  8  o 8.136671  0.3169214     73.06008       7.255906  59.91234       7.236190      0.8118449      0.6338429 
1 1 1 -9  3  9  o 3.569963  0.2413488     12.14240       2.039411  14.16178       3.025608      -0.2664358     0.4826975 
1 1 1 -9  3  10 o 4.396354  0.3075687     18.88090       3.627553  20.33211       3.936072      -0.1620090     0.6151373 
1 1 1 -9  3  11 o 17.00046  0.9414849     323.1540       44.82117  269.7451       44.77777      1.584615       1.882970  
1 1 1 -9  3  12 o 27.21896  1.546962      839.2748       117.9485  728.5961       117.8345      2.049465       3.093923  
1 1 1 -9  3  13 o 1.229555  0.4113036     -4.048355      3.477280  -4.843892      4.121939      -0.1018164     0.8226072 
1 1 1 -9  3  14 o 5.066052  0.4293737     26.07203       5.760600  26.25219       6.341321      -0.8305378E-02 0.8587474 
1 1 1 -9  3  15 o 2.679095  0.6053377     5.790048       4.757640  8.724298       5.713518      -0.4656846     1.210675  
1 1 1 -9  3  16 f 21.53243  1.258180      503.6625       75.85214  493.0994       76.02581      0.2507866      2.516361  
1 1 1 -9  3  17 o 20.74066  1.235639      483.7746       71.70492  458.5992       71.87247      0.6164130      2.471278  
1 1 1 -9  3  18 o 10.04911  1.401343      110.8326       27.39953  ?              ?             ?              ?         
1 1 1 -9  3  19 o 9.658456  0.5430441     103.7814       17.49212  93.49068       12.91114      0.3982810      1.086088  
1 1 1 -9  3  20 o 5.279505  0.5597566     31.20900       8.077481  28.89867       8.114966      0.2259455      1.119513  
1 1 1 -9  3  21 f 3.239103  0.7572455     12.32119       7.955675  12.47136       8.181250      -0.1662296E-01 1.514491  
1 1 1 -9  3  22 o 2.856508  0.7608539     14.90359       8.825787  4.234134       8.877349      0.9100555      1.521708  
1 1 1 -9  3  23 o 2.885952  0.8175535     10.82494       10.06077  14.80956       10.30892      -0.2919070     1.635107  
1 1 1 -9  3  24 o 2.194941  0.7241287     8.385649       11.03549  0.5890668      11.31158      0.3027642      1.448257  
1 1 1 -9  5  1  o 33.28536  1.327982      1248.025       115.2798  995.6865       132.9166      3.911550       2.655964  
1 1 1 -9  5  2  o 27.39418  1.123936      764.0372       81.09199  758.7107       93.68326      0.1585239      2.247872  
1 1 1 -9  5  3  f 16.92617  0.6228197     300.2643       29.71228  276.0098       29.68527      0.7188355      1.245639  
1 1 1 -9  5  4  o 24.97800  0.9416339     647.2913       66.29369  616.1187       66.24669      0.6257504      1.883268  
1 1 1 -9  5  5  o 12.92776  0.4831914     180.1293       17.58942  155.6448       17.57122      0.9509098      0.9663827 
1 1 1 -9  5  6  o 10.85379  0.4143596     118.3356       12.67081  118.6501       12.67579      -0.1450539E-01 0.8287191 
1 1 1 -9  5  7  o 4.275559  0.1980545     17.85087       2.367471  18.89012       2.395145      -0.1218368     0.3961090 
1 1 1 -9  5  8  o 7.307622  0.2871192     54.01744       5.907308  53.35327       5.914822      0.4563763E-01  0.5742384 
1 1 1 -9  5  9  o 7.321056  0.2851821     56.03920       5.875963  51.63388       5.882939      0.3020573      0.5703642 
1 1 1 -9  5  10 o 13.12350  0.5006004     177.2781       18.50973  170.4759       18.51088      0.2599837      1.001201  
1 1 1 -9  5  11 o 8.537355  0.3358828     74.71571       8.068460  71.86316       8.086676      0.1677384      0.6717656 
1 1 1 -9  5  12 o 4.088225  0.2729800     19.56026       3.056540  14.02418       3.125597      0.6892415      0.5459599 
1 1 1 -9  5  13 o 6.414075  0.2969380     41.97202       5.334714  40.80959       5.379387      0.9137382E-01  0.5938761 
1 1 1 -9  5  14 o 28.56468  1.128653      872.8232       90.82928  821.9851       90.76116      0.8922442      2.257306  
1 1 1 -9  5  15 o 8.698967  0.3761700     79.27870       9.181988  73.23743       9.231221      0.3492577      0.7523400 
1 1 1 -9  5  16 o 3.096966  0.5410619     9.925257       4.581373  10.30140       4.851517      -0.5673829E-01 1.082124  
1 1 1 -9  5  17 o 11.36479  0.4758705     131.0803       15.18410  131.9267       15.27237      -0.3616909E-01 0.9517409 
1 1 1 -9  5  18 o 7.780872  0.4237031     62.87578       9.150528  60.86019       9.356483      0.1343064      0.8474063 
1 1 1 -9  5  19 o 7.843848  0.5257334     63.75273       9.793151  66.06030       14.68211      0.2307971E-01  1.051467  
1 1 1 -9  5  20 o 4.869399  0.8145753     31.86461       10.63297  22.70605       12.06819      0.9603008      1.629151  
1 1 1 -9  5  21 o 4.748601  0.8944404     21.33677       11.75586  38.21551       13.22304      -1.445783      1.788881  
1 1 1 -9  5  22 o 2.903302  0.8746091     13.05758       12.31897  5.865853       13.33527      0.3723583      1.749218  
1 1 1 -9  5  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  5  24 o 2.253746  0.7756537     17.29698       16.03556  -6.945674      16.66404      0.5504852      1.551307  
1 1 1 -9  7  1  f 6.169148  0.2575481     41.41348       4.852643  35.40078       4.139832      0.4840304      0.5150961 
1 1 1 -9  7  2  o 33.45044  1.287132      1165.180       121.3012  1123.019       121.3061      0.6322447      2.574265  
1 1 1 -9  7  3  o 10.85136  0.4147294     118.6617       12.67591  118.0623       12.68739      0.2775287E-01  0.8294588 
1 1 1 -9  7  4  o 6.499299  0.2520811     45.42744       4.609324  39.26006       4.610021      0.4766228      0.5041621 
1 1 1 -9  7  5  o 21.03435  0.7974327     461.4774       47.24961  436.0093       47.26236      0.6074759      1.594865  
1 1 1 -9  7  6  o 11.73849  0.4420423     142.2477       14.62060  135.2521       14.61996      0.2989234      0.8840846 
1 1 1 -9  7  7  o 12.66174  0.4809582     160.9791       17.15580  162.6184       17.16634      -0.6485371E-01 0.9619164 
1 1 1 -9  7  8  o 14.23100  0.5419933     212.6749       21.72851  196.6630       21.72153      0.5645378      1.083987  
1 1 1 -9  7  9  o 12.54840  0.4793452     162.2050       16.94350  155.5862       16.95085      0.2646218      0.9586903 
1 1 1 -9  7  10 o 10.61001  0.4012531     119.6088       11.99004  106.8080       11.98401      0.6056031      0.8025063 
1 1 1 -9  7  11 o 11.67647  0.4474866     140.0775       14.71343  134.5668       14.72920      0.2368221      0.8949732 
1 1 1 -9  7  12 o 4.967096  0.2771724     27.51820       3.788890  21.96893       3.909097      0.5659441      0.5543448 
1 1 1 -9  7  13 o 24.07434  0.9342846     622.0438       63.35978  565.3074       63.30017      1.182423       1.868569  
1 1 1 -9  7  14 o 7.168488  0.3345607     56.35437       6.696957  46.95440       6.763270      0.6607941      0.6691213 
1 1 1 -9  7  15 o 11.38252  0.4624778     135.7941       14.78206  126.2145       14.85864      0.4232217      0.9249555 
1 1 1 -9  7  16 o 17.81016  0.8258357     351.7673       41.32104  307.5610       41.30887      1.248338       1.651671  
1 1 1 -9  7  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  7  18 o 6.904254  0.4469058     57.70429       8.330736  39.91689       8.712571      1.319181       0.8938116 
1 1 1 -9  7  19 o 3.537693  0.5879859     26.06840       7.173084  -1.971437      7.603583      2.891652       1.175972  
1 1 1 -9  7  20 o 5.643636  0.5714992     39.07552       8.607499  29.88036       9.035758      0.8680924      1.142998  
1 1 1 -9  7  21 f 2.044541  0.6599062     1.446715       8.450282  -7.340105      8.957905      0.3859923      1.319812  
1 1 1 -9  7  22 o 3.361060  0.8362377     13.55524       9.662669  20.65767       10.32099      -0.6134772     1.672475  
1 1 1 -9  7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  7  24 o 2.690893  0.8317206     11.63897       12.27192  29.66839       13.01243      -0.8522134     1.663441  
1 1 1 -9  9  1  o 19.17670  0.7472522     389.9979       37.71015  349.9479       43.52221      1.086518       1.494504  
1 1 1 -9  9  2  o 24.47737  0.7729009     541.7957       53.14573  671.8153       53.24136      -2.664700      1.545802  
1 1 1 -9  9  3  f 18.40002  0.6522403     369.4836       33.79819  314.4143       33.75620      1.502183       1.304481  
1 1 1 -9  9  4  o 10.17555  0.3888572     105.1986       11.14302  103.1978       11.15626      0.9869213E-01  0.7777144 
1 1 1 -9  9  5  o 21.74044  0.8374523     499.3113       51.28155  465.4585       51.27965      0.7813307      1.674905  
1 1 1 -9  9  6  o 16.58423  0.6241471     287.8268       29.16567  269.5618       29.15680      0.5524511      1.248294  
1 1 1 -9  9  7  o 13.81894  0.5230049     198.2311       20.36631  187.6764       20.35839      0.3830809      1.046010  
1 1 1 -9  9  8  o 18.95888  0.7188814     374.6005       38.40103  356.4143       38.39829      0.4811482      1.437763  
1 1 1 -9  9  9  o 16.18112  0.6149946     275.2821       28.03338  254.4135       28.02557      0.6470982      1.229989  
1 1 1 -9  9  10 o 8.095785  0.3177065     72.17865       7.227061  59.42506       7.228416      0.7916844      0.6354130 
1 1 1 -9  9  11 o 13.59097  0.5159651     195.2730       19.74650  177.0066       19.74907      0.6745924      1.031930  
1 1 1 -9  9  12 o 10.85766  0.4212445     121.6395       12.86202  115.7697       12.90632      0.2715031      0.8424889 
1 1 1 -9  9  13 f 22.24835  0.8623461     517.6888       54.05191  497.1116       54.04726      0.4639079      1.724692  
1 1 1 -9  9  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  9  15 o 8.144684  0.3831698     72.08511       8.670292  61.70509       8.856194      0.6437140      0.7663397 
1 1 1 -9  9  16 o 17.57575  0.6864528     330.2904       33.96842  308.0121       33.98783      0.6364508      1.372906  
1 1 1 -9  9  17 f 6.438653  0.4362782     41.25843       7.629814  43.93696       8.079630      -0.1999976     0.8725564 
1 1 1 -9  9  18 o 2.400909  0.6744322     4.585264       6.563711  2.698370       7.198371      0.1007474      1.348864  
1 1 1 -9  9  19 o 2.262282  0.6656473     6.342149       7.227093  -4.406643      7.922102      0.7044430      1.331295  
1 1 1 -9  9  20 o 5.184772  0.6487139     29.01424       8.792822  33.02485       9.558169      -0.3297448     1.297428  
1 1 1 -9  9  21 o 3.326239  0.8147868     13.66920       8.987828  16.53209       9.744705      -0.2534752     1.629574  
1 1 1 -9  9  22 o 2.949594  0.7915814     0.9295652      10.02672  25.64617       11.27073      -1.723285      1.583163  
1 1 1 -9  9  23 o 2.018737  0.6882324     -2.544434      11.29742  -0.2415512     12.15696      -0.1096651     1.376465  
1 1 1 -9  11 1  o 20.97283  0.8552644     486.9532       54.37569  416.6636       47.05698      1.609775       1.710529  
1 1 1 -9  11 2  o 27.01954  0.8726283     683.9101       66.34607  808.3813       66.41940      -2.310635      1.745257  
1 1 1 -9  11 3  o 7.541392  0.3131309     56.44635       6.198109  58.25365       7.215301      -0.1128539     0.6262618 
1 1 1 -9  11 4  o 15.33873  0.5906824     240.0714       25.51942  236.6048       25.53894      0.1134982      1.181365  
1 1 1 -9  11 5  o 3.734996  0.2042201     14.62693       2.145128  13.44745       2.133509      0.1588447      0.4084401 
1 1 1 -9  11 6  o 15.24679  0.5765815     246.9850       24.76254  223.1209       24.74927      0.7854962      1.153163  
1 1 1 -9  11 7  o 10.82236  0.4137729     126.8300       12.60181  108.8100       12.59583      0.8362401      0.8275458 
1 1 1 -9  11 8  o 24.65229  0.9482150     646.1523       65.85563  598.1830       65.81596      0.9760962      1.896430  
1 1 1 -9  11 9  o 10.82848  0.4153425     125.7924       12.65860  109.9773       12.65726      0.7334076      0.8306850 
1 1 1 -9  11 10 o 9.408048  0.3626520     91.12080       9.587138  86.86362       9.636532      0.2273017      0.7253041 
1 1 1 -9  11 11 o 2.300813  0.4144137     1.866434       2.758805  8.956225       3.154603      -1.314220      0.8288274 
1 1 1 -9  11 12 o 11.41393  0.4497035     141.9151       14.41413  120.5802       14.45531      0.9394813      0.8994069 
1 1 1 -9  11 13 o 8.194177  0.6148408     73.24368       11.96755  60.70473       17.25562      0.8763373      1.229682  
1 1 1 -9  11 14 o 11.82717  0.4767083     151.7219       15.80922  131.4078       15.90820      0.8640944      0.9534166 
1 1 1 -9  11 15 o 1.629959  0.5030665     -9.714013      5.009554  2.997154       5.630296      -0.9802498     1.006133  
1 1 1 -9  11 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  11 17 o 6.596137  0.4861387     56.79465       8.330211  33.23885       8.956820      1.846541       0.9722773 
1 1 1 -9  11 18 o 5.403127  0.5587494     31.21415       7.888509  31.56848       8.755994      0.9860324E-02  1.117499  
1 1 1 -9  11 19 o 4.741385  0.6385071     42.71806       8.465073  8.977570       9.114101      3.350159       1.277014  
1 1 1 -9  11 20 o 2.007021  0.6586895     -6.668531      8.560799  -0.9621568     9.537677      -0.3726776     1.317379  
1 1 1 -9  11 21 o 2.541764  0.7741880     5.187304       9.564103  7.853087       10.67327      -0.2091080     1.548376  
1 1 1 -9  11 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  13 1  o 18.29889  0.6884068     346.5266       35.48782  334.1408       35.50667      0.3396245      1.376814  
1 1 1 -9  13 2  o 13.94704  0.5691456     202.4695       24.14815  192.6533       20.89997      0.3267778      1.138291  
1 1 1 -9  13 3  o 12.37894  0.4777932     162.8479       16.65125  146.1093       16.65206      0.6788471      0.9555865 
1 1 1 -9  13 4  o 6.551068  0.2791502     45.97525       5.044737  40.06199       5.244043      0.4555389      0.5583004 
1 1 1 -9  13 5  o 1.096055  0.3212464     1.028414       1.672487  -0.7684160     1.723739      0.2758853      0.6424929 
1 1 1 -9  13 6  o 11.40728  0.4379739     135.8146       14.06640  126.1853       14.07768      0.4236539      0.8759479 
1 1 1 -9  13 7  o 13.81793  0.5159369     201.4804       20.08166  183.3568       20.07819      0.6581817      1.031874  
1 1 1 -9  13 8  o 5.813665  0.2582410     37.03300       4.180558  30.74485       4.249630      0.5449067      0.5164820 
1 1 1 -9  13 9  f 13.23210  0.4896504     192.4234       18.23327  160.2689       18.20770      1.220308       0.9793007 
1 1 1 -9  13 10 o 13.44982  0.4998677     200.9837       18.91001  163.8609       18.87840      1.386268       0.9997354 
1 1 1 -9  13 11 o 13.26376  0.5054621     188.9718       18.86179  166.2402       18.88132      0.8606913      1.010924  
1 1 1 -9  13 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  13 13 o 14.73402  0.5710954     236.8735       23.65893  204.7331       23.68982      1.096042       1.142191  
1 1 1 -9  13 14 o 4.807621  0.4598187     18.35709       5.679906  29.30818       6.358647      -1.151861      0.9196373 
1 1 1 -9  13 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  13 16 o 2.758577  0.6614178     11.63660       6.348913  0.8317204      7.301482      1.055850       1.322836  
1 1 1 -9  13 17 f 8.231233  0.4843971     82.78191       10.75855  58.30771       11.32157      1.527155       0.9687941 
1 1 1 -9  13 18 o 11.85187  0.5607190     172.4426       18.43442  130.6047       18.67738      1.792231       1.121438  
1 1 1 -9  13 19 o 5.389899  0.6731821     38.45600       9.491268  28.91113       10.40505      0.9991092      1.346364  
1 1 1 -9  13 20 o 2.569379  0.7427048     14.96739       9.520030  -6.139453      10.61169      1.226344       1.485410  
1 1 1 -9  13 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  13 22 o 2.380366  0.7814408     11.05744       12.04196  8.110450       13.38985      0.1134439      1.562882  
1 1 1 -9  15 1  o 23.68151  0.9109834     612.2586       60.72958  533.2650       60.68846      1.674811       1.821967  
1 1 1 -9  15 2  o 11.66103  0.4782293     149.8664       16.89478  125.6497       14.61543      1.025795       0.9564585 
1 1 1 -9  15 3  o 21.27458  0.8837786     485.8683       49.45113  432.5708       57.03714      1.329023       1.767557  
1 1 1 -9  15 4  o 11.72002  0.4484707     136.4201       14.78665  140.3224       14.83334      -0.1667139     0.8969414 
1 1 1 -9  15 5  o 7.256208  0.3044844     57.38137       6.161908  48.25410       6.255333      0.6332172      0.6089689 
1 1 1 -9  15 6  o 31.69827  1.236405      1086.377       110.3846  996.4780       110.3276      1.422914       2.472810  
1 1 1 -9  15 7  o 28.71544  1.102176      887.7817       89.15413  812.4421       89.10174      1.316260       2.204353  
1 1 1 -9  15 8  f 13.25428  0.4947329     197.5610       18.42682  156.8280       18.39420      1.543831       0.9894659 
1 1 1 -9  15 9  f 9.321116  0.3738646     95.48720       9.748614  79.23489       9.836698      0.8771413      0.7477291 
1 1 1 -9  15 10 o 12.46111  0.4710307     171.0134       16.49308  142.4538       16.51377      1.151510       0.9420614 
1 1 1 -9  15 11 o 8.374930  0.3662664     73.01362       8.533555  68.41294       8.731018      0.2778241      0.7325329 
1 1 1 -9  15 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  15 13 o 4.587707  0.4948922     28.27704       5.787360  14.66876       6.404253      1.551092       0.9897845 
1 1 1 -9  15 14 o 17.05350  0.6798137     337.2953       32.52759  269.0763       32.53169      2.011268       1.359627  
1 1 1 -9  15 15 o 6.948575  0.4511909     49.39501       8.410849  50.44490       9.175865      -0.5583550E-01 0.9023818 
1 1 1 -9  15 16 o 5.844831  0.5344906     35.79519       8.123015  37.07271       9.245497      -0.6081994E-01 1.068981  
1 1 1 -9  15 17 o 3.246852  0.7771218     12.32328       7.967874  11.42234       9.161827      0.6912886E-01  1.554244  
1 1 1 -9  15 18 o 2.383156  0.7202375     7.878526       8.623576  -6.159504      10.06987      0.7104470      1.440475  
1 1 1 -9  15 19 o 2.296328  0.7272414     6.697122       9.604254  -6.959972      11.01894      0.5608000      1.454483  
1 1 1 -9  15 20 o 2.608960  0.8591004     4.150208       13.18990  11.87560       18.18045      -0.3642612     1.718201  
1 1 1 -9  15 21 o 3.970448  0.9476841     43.19189       13.02026  28.08706       14.37113      1.402565       1.895368  
1 1 1 -9  17 1  o 27.75763  1.072520      822.1760       83.85313  762.6077       83.83696      1.076777       2.145040  
1 1 1 -9  17 2  o 25.89366  1.066297      713.9628       83.96452  671.7870       72.68782      0.7031940      2.132594  
1 1 1 -9  17 3  o 10.30837  0.4327228     106.2547       11.73306  108.2469       13.58965      -0.8457889E-01 0.8654456 
1 1 1 -9  17 4  o 13.93950  0.5357364     204.0121       21.03074  188.1714       21.03399      0.5703092      1.071473  
1 1 1 -9  17 5  o 8.364533  0.3621308     75.99223       7.924166  63.79987       9.178578      0.7446606      0.7242616 
1 1 1 -9  17 6  o 9.317060  0.3639396     94.52367       9.516783  79.98663       9.554387      0.7841995      0.7278791 
1 1 1 -9  17 7  f 11.49737  0.4420107     147.6034       14.25183  118.9140       14.29234      1.254332       0.8840215 
1 1 1 -9  17 8  o 10.78947  0.4207433     132.9090       12.70971  102.0710       12.73583      1.437129       0.8414866 
1 1 1 -9  17 9  o 13.89790  0.5162241     212.0499       20.16045  179.1279       20.20322      1.190140       1.032448  
1 1 1 -9  17 10 o 3.142886  0.6285063     7.062900       6.060558  13.04280       5.932669      -0.7828777     1.257013  
1 1 1 -9  17 11 o 8.751933  0.4056252     81.38361       9.827227  73.60590       10.13598      0.4509846      0.8112503 
1 1 1 -9  17 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  17 13 o 5.007359  0.5216389     31.91559       6.649938  19.38455       7.532744      1.327829       1.043278  
1 1 1 -9  17 14 o 4.392873  0.6069344     21.67399       6.799163  19.70732       7.934595      0.2732091      1.213869  
1 1 1 -9  17 15 o 1.639965  0.5582686     -13.89418      7.158369  -6.535638      8.581400      -0.4942632     1.116537  
1 1 1 -9  17 16 o 7.079449  0.5402065     59.77701       10.06295  47.62251       11.17231      0.9434322      1.080413  
1 1 1 -9  17 17 o 4.598763  0.7680126     26.46713       9.176762  26.46046       10.73829      0.1469232      1.536025  
1 1 1 -9  17 18 o 2.825775  0.8182109     10.17229       9.726788  8.842851       11.28107      0.5418906E-01  1.636422  
1 1 1 -9  17 19 o 2.926476  0.9502209     20.36026       16.10023  5.836832       22.59561      0.4493850      1.900442  
1 1 1 -9  17 20 o 2.526237  0.8103916     18.59226       12.42450  2.809566       14.27736      0.6472852      1.620783  
1 1 1 -9  19 1  o 14.32211  0.5521204     218.5582       22.28058  196.3167       22.24528      0.7793106      1.104241  
1 1 1 -9  19 2  o 19.22670  0.7769299     420.7911       45.23426  338.6360       39.08156      2.078086       1.553860  
1 1 1 -9  19 3  o 16.15997  0.6645571     277.3454       32.65154  256.5283       28.25164      0.6021259      1.329114  
1 1 1 -9  19 4  o 10.71838  0.4257633     127.5076       12.79565  104.1116       12.84154      1.097591       0.8515266 
1 1 1 -9  19 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  19 6  o 23.03709  0.8673967     601.6868       56.22326  495.1866       56.09737      2.320629       1.734793  
1 1 1 -9  19 7  o 8.365200  0.3591450     77.83376       8.348432  63.12862       8.513485      0.8863031      0.7182899 
1 1 1 -9  19 8  o 6.683187  0.6135803     45.48997       9.519944  48.26283       14.89694      -0.8445241E-01 1.227161  
1 1 1 -9  19 9  o 14.52882  0.5569583     241.8992       22.70174  189.6212       22.69810      1.808416       1.113917  
1 1 1 -9  19 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  19 11 o 14.43645  0.5770540     231.5348       23.32373  199.1792       23.53429      1.130918       1.154108  
1 1 1 -9  19 12 o 2.043504  0.5959280     6.193718       6.146709  -9.893590      7.212718      0.9824461      1.191856  
1 1 1 -9  19 13 o 5.403796  0.5589466     37.95498       7.588632  23.03890       8.800827      1.489105       1.117893  
1 1 1 -9  19 14 o 2.317809  0.6909879     4.465987       7.340939  -1.651082      8.562336      0.2996744      1.381976  
1 1 1 -9  19 15 o 3.065735  0.7740777     4.948274       8.152000  16.94659       9.720966      -1.161640      1.548155  
1 1 1 -9  19 16 o 3.601096  0.8119456     22.23358       9.273230  10.20141       11.00034      1.156776       1.623891  
1 1 1 -9  19 17 o 2.283249  0.7416788     0.6209730      10.10468  -0.3200117     11.90183      -0.8234195E-01 1.483358  
1 1 1 -9  19 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  19 19 o 2.407503  0.7975534     9.282527       12.76685  9.768796       14.64625      -0.2191648E-01 1.595107  
1 1 1 -9  21 1  o 14.15116  0.5603515     218.1492       22.34844  189.0542       22.26635      1.031799       1.120703  
1 1 1 -9  21 2  o 15.29907  0.6334026     250.9451       29.42001  229.9965       25.50703      0.6345653      1.266805  
1 1 1 -9  21 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  21 4  o 18.61956  0.7052490     361.6436       36.97904  352.6196       37.02772      0.2437995      1.410498  
1 1 1 -9  21 5  o 1.494346  0.4707987     -2.906281      3.907307  -0.2152537     4.274501      -0.3056826     0.9415973 
1 1 1 -9  21 6  o 14.31116  0.6097083     233.6812       22.68116  184.6868       26.25720      1.787387       1.219417  
1 1 1 -9  21 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  21 8  o 2.177854  0.6005443     3.718053       4.905282  2.280534       5.902582      0.2000235E-01  1.201089  
1 1 1 -9  21 9  o 6.640407  0.4165260     37.55368       7.266031  53.27575       8.144164      -1.176063      0.8330520 
1 1 1 -9  21 10 o 3.287842  0.6645213     9.609804       6.067490  14.19792       7.016068      -0.5930070     1.329043  
1 1 1 -9  21 11 o 5.017486  0.5789154     35.60591       7.302841  17.57396       8.393587      1.896036       1.157831  
1 1 1 -9  21 12 o 2.727859  0.7134663     9.495828       6.882644  3.235959       8.400292      0.4801448      1.426933  
1 1 1 -9  21 13 o 5.237307  0.6263366     30.66600       8.336959  31.44955       9.743431      0.3095330E-01  1.252673  
1 1 1 -9  21 14 o 6.571730  0.6075276     57.66490       10.25794  39.51186       11.45814      1.538048       1.215055  
1 1 1 -9  21 15 o 6.037070  0.7001573     42.00287       10.82040  49.80477       12.36175      -0.4537462     1.400315  
1 1 1 -9  21 16 o 2.509571  0.7881932     9.444862       10.67144  0.8928771      12.36508      0.3573217      1.576386  
1 1 1 -9  21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  23 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  23 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  23 3  o 7.782360  0.4001916     66.55236       9.333699  57.41245       8.219894      0.5703503      0.8003832 
1 1 1 -9  23 4  o 1.841995  0.5380070     -1.231574      4.572361  3.137476       4.838886      -0.4815162     1.076014  
1 1 1 -9  23 5  o 10.09450  0.4197745     121.9241       11.79815  86.64735       11.83346      1.759367       0.8395491 
1 1 1 -9  23 6  o 10.76457  0.4609452     137.9352       13.77903  100.5503       13.91932      1.751673       0.9218904 
1 1 1 -9  23 7  o 9.403291  0.4757808     98.48923       11.39493  82.69524       13.94238      0.9225589      0.9515617 
1 1 1 -9  23 8  o 7.619690  0.4331775     59.66518       8.823550  60.86038       9.761269      -0.5004254E-01 0.8663550 
1 1 1 -9  23 9  f 12.20669  0.5127253     166.6057       17.31857  146.8685       17.89530      0.8352333      1.025451  
1 1 1 -9  23 10 o 7.599279  0.4830898     57.73711       9.816129  65.34992       10.76189      -0.4601862     0.9661795 
1 1 1 -9  23 11 o 2.291829  0.6914059     2.339982       7.277667  1.730018       8.640354      -0.9944177E-01 1.382812  
1 1 1 -9  23 12 f 4.327650  0.7448759     24.73566       8.397235  21.27024       10.22527      0.5264318      1.489752  
1 1 1 -9  23 13 o 3.424796  0.7673041     24.52594       9.133599  3.005377       11.11142      1.838460       1.534608  
1 1 1 -9  23 14 o 2.727099  0.7972921     14.71560       9.928687  2.390979       11.52333      0.7402467      1.594584  
1 1 1 -9  23 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  25 1  o 5.245810  0.4889985     32.32852       7.021154  25.14109       7.058132      0.7044124      0.9779969 
1 1 1 -9  25 2  o 3.947369  0.5713263     15.28200       6.293582  18.29695       6.063717      -0.3932649     1.142653  
1 1 1 -9  25 3  o 7.633040  0.4092547     69.75593       8.783704  50.63787       8.622245      1.259794       0.8185095 
1 1 1 -9  25 4  o 4.413979  0.5160175     21.66502       6.013380  19.93738       6.444912      0.2226280      1.032035  
1 1 1 -9  25 5  o 4.600517  0.5629311     23.93294       6.849477  21.94559       7.295558      0.2461939      1.125862  
1 1 1 -9  25 6  o 2.415785  0.6629260     5.649109       5.968254  3.458076       7.204372      0.9488550E-01  1.325852  
1 1 1 -9  25 7  o 8.325339  0.4741438     75.30978       10.69264  71.89358       11.48348      0.2455153      0.9482876 
1 1 1 -9  25 8  o 5.592062  0.6002666     36.23559       8.204582  33.29538       10.74503      0.4752992      1.200533  
1 1 1 -9  25 9  o 9.995098  0.5905880     132.2060       17.31005  94.44745       15.60539      1.770357       1.181176  
1 1 1 -9  25 10 o 3.296564  0.7302932     21.10362       7.996581  1.042881       10.93201      1.699975       1.460586  
1 1 1 -9  25 11 o 3.110861  0.8150649     16.10661       8.973276  9.613315       11.03872      0.5564761      1.630130  
1 1 1 -9  25 12 o 5.536822  0.7665118     39.92727       10.78736  46.35015       12.53982      -0.2596869     1.533024  
1 1 1 -9  25 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  27 1  o 3.756807  0.7569013     12.40333       9.811066  20.43385       8.077134      -0.8996455     1.513803  
1 1 1 -9  27 2  f 3.119173  0.6948966     15.89208       7.198073  6.169670       7.329517      1.088670       1.389793  
1 1 1 -9  27 3  o 2.890891  0.6202583     1.528701       5.833795  17.25476       6.875340      -1.836601      1.240517  
1 1 1 -9  27 4  o 3.952435  0.6199896     18.65028       6.419981  17.82566       7.180328      0.1639939      1.239979  
1 1 1 -9  27 5  o 3.805868  0.9337376     25.57997       12.17095  13.96885       13.62624      0.9517354      1.867475  
1 1 1 -9  27 6  o 3.793120  0.9557045     9.595416       13.56749  33.86432       14.66935      -1.692428      1.911409  
1 1 1 -9  27 7  o 2.304647  0.7770104     -11.90564      13.11226  0.6720961      15.38247      -0.5417015     1.554021  
1 1 1 -9  27 8  o 2.644813  0.8752397     5.220338       15.24888  -1.422795      17.85961      0.1114591      1.750479  
1 1 1 -9  27 9  o 2.928193  0.9526226     12.89081       16.63297  13.54731       20.00096      -0.3690592E-01 1.905245  
1 1 1 -9  27 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  29 4  o 1.852616  0.8560898     -1.470992      7.442221  ?              ?             ?              ?         
1 1 1 -9  29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  29 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -9  29 7  o 2.311530  1.144875      -2.991108      19.80917  ?              ?             ?              ?         
1 1 1 -8  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  5  o 42.42331  3.368630      1880.702       281.5482  1880.702       281.5482      ?              ?         
1 1 1 -8  0  6  o 27.91559  2.162787      803.3552       119.0390  803.3552       119.0390      ?              ?         
1 1 1 -8  0  7  o 61.09172  3.293906      3912.260       399.7700  3912.260       399.7700      ?              ?         
1 1 1 -8  0  8  o 7.461939  0.4153293     56.24571       6.154094  56.24571       6.154094      ?              ?         
1 1 1 -8  0  9  o 8.499187  0.4543345     72.95269       7.672213  72.95269       7.672213      ?              ?         
1 1 1 -8  0  10 o 6.164999  0.3667116     38.44617       4.484573  38.44617       4.484573      ?              ?         
1 1 1 -8  0  11 o 5.721563  0.3609182     33.15454       4.091905  33.15454       4.091905      ?              ?         
1 1 1 -8  0  12 o 12.65808  0.6935303     162.1241       17.43622  162.1241       17.43622      ?              ?         
1 1 1 -8  0  13 o 19.80707  1.091671      398.4767       42.94318  398.4767       42.94318      ?              ?         
1 1 1 -8  0  14 o 9.422119  0.5376753     89.79666       10.05599  89.79666       10.05599      ?              ?         
1 1 1 -8  0  15 o 2.268338  0.8321909     6.892122       3.485976  6.892122       3.485976      ?              ?         
1 1 1 -8  0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  0  19 o 1.303275  0.8709373     -1.951300      6.242157  -1.951300      6.242157      ?              ?         
1 1 1 -8  0  20 o 5.034379  0.8349891     27.99932       7.712817  27.99932       7.712817      ?              ?         
1 1 1 -8  0  21 o 2.156241  1.201460      7.290431       7.695510  7.290431       7.695510      ?              ?         
1 1 1 -8  0  22 o 5.781495  0.8684045     37.91555       9.373313  37.91555       9.373313      ?              ?         
1 1 1 -8  0  23 o 2.180155  1.277689      8.995047       9.353388  8.995047       9.353388      ?              ?         
1 1 1 -8  0  24 f 2.459361  1.396254      14.43052       10.64450  14.43052       10.64450      ?              ?         
1 1 1 -8  2  1  o 11.79602  0.4266553     141.8859       14.18950  137.4369       14.18323      0.1890850      0.8533106 
1 1 1 -8  2  2  o 11.84304  0.4425346     146.4356       14.76520  135.0124       14.76212      0.4839555      0.8850692 
1 1 1 -8  2  3  o 6.767509  0.3744252     44.86372       7.111022  47.34243       7.104920      -0.1844136     0.7488504 
1 1 1 -8  2  4  o 42.46724  2.406194      1837.660       286.2541  1965.672       286.6843      -1.514613      4.812388  
1 1 1 -8  2  5  o 14.09080  0.7543852     225.0431       29.74187  175.4280       29.67776      1.776872       1.508770  
1 1 1 -8  2  6  o 9.104595  0.5015143     98.23470       12.70681  68.88831       12.66987      1.629103       1.003029  
1 1 1 -8  2  7  o 36.69215  2.004072      1659.188       204.8271  1208.481       204.3878      6.202104       4.008144  
1 1 1 -8  2  8  o 10.52959  0.5806125     125.0555       17.09322  98.93811       17.08158      1.252291       1.161225  
1 1 1 -8  2  9  o 14.62889  0.8080800     233.7575       33.13131  203.4154       33.10773      1.045377       1.616160  
1 1 1 -8  2  10 o 6.265941  0.3748731     42.97937       6.507565  36.08646       6.626549      0.5573065      0.7497463 
1 1 1 -8  2  11 o 18.89819  1.052642      407.4625       55.67417  330.1818       55.57775      2.063284       2.105283  
1 1 1 -8  2  12 o 8.795698  0.4998580     77.95777       12.26653  78.68130       12.39585      -0.4025176E-01 0.9997159 
1 1 1 -8  2  13 o 36.19511  2.165708      1531.124       219.4471  1373.613       219.2892      2.192690       4.331417  
1 1 1 -8  2  14 o 10.47869  0.5326271     114.2146       17.42085  108.9616       14.37008      0.2261986      1.065254  
1 1 1 -8  2  15 o 17.78978  0.7447073     321.3302       40.27050  324.3221       34.90691      -0.1383270     1.489415  
1 1 1 -8  2  16 o 8.308713  0.4309610     69.90942       10.01673  69.94307       10.09849      -0.1153760E-02 0.8619220 
1 1 1 -8  2  17 o 12.12292  0.4979777     155.8715       16.99131  142.7289       16.99107      0.5443581      0.9959555 
1 1 1 -8  2  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  2  19 o 5.917320  0.4586329     36.52394       7.553332  36.01612       7.547046      0.4329016E-01  0.9172658 
1 1 1 -8  2  20 o 5.972878  0.4923119     38.93256       8.089406  36.27035       8.223959      0.2320789      0.9846238 
1 1 1 -8  2  21 o 8.286025  0.4896305     74.21726       11.32215  72.99655       11.41824      0.7931086E-01  0.9792609 
1 1 1 -8  2  22 o 4.367575  0.7036601     15.05324       8.707227  32.09655       8.967931      -1.806428      1.407320  
1 1 1 -8  2  23 o 2.463876  0.7206679     -3.439111      9.221355  15.17839       9.499941      -1.200413      1.441336  
1 1 1 -8  2  24 o 3.330672  0.8064439     7.944993       10.70996  34.29422       11.06396      -2.010630      1.612888  
1 1 1 -8  4  1  o 22.15693  0.8838146     552.7070       51.00486  432.4183       58.78432      2.765934       1.767629  
1 1 1 -8  4  2  o 19.65960  0.7275419     406.6246       40.29842  370.9698       40.28151      0.9099823      1.455084  
1 1 1 -8  4  3  o 48.52449  1.828490      2575.739       249.9504  2275.400       249.6059      3.105265       3.656980  
1 1 1 -8  4  4  o 51.51179  1.956014      2939.364       283.6476  2569.249       283.5013      3.606913       3.912028  
1 1 1 -8  4  5  o 18.00970  0.6796917     339.0810       34.49257  314.2832       34.47122      0.6907702      1.359383  
1 1 1 -8  4  6  o 16.86128  0.6264826     304.7711       29.75953  267.7154       29.71855      1.103076       1.252965  
1 1 1 -8  4  7  o 23.63106  0.8799105     588.6707       58.58833  546.2137       58.56916      0.9012613      1.759821  
1 1 1 -8  4  8  o 7.995526  0.3135592     64.98440       7.056123  63.55638       7.069795      0.8967332E-01  0.6271184 
1 1 1 -8  4  9  f 16.26670  0.6235997     275.2744       28.58217  261.1310       28.57182      0.4360956      1.247199  
1 1 1 -8  4  10 o 5.873902  0.2498718     33.75018       4.119480  35.60592       4.142759      -0.1584110     0.4997436 
1 1 1 -8  4  11 o 8.811540  0.3476297     78.91082       8.622788  77.32990       8.635630      0.9007994E-01  0.6952593 
1 1 1 -8  4  12 o 13.25907  0.5134325     179.7521       19.17882  174.9898       19.18132      0.1801677      1.026865  
1 1 1 -8  4  13 o 20.75429  0.8046616     462.3294       47.04244  413.1958       46.98180      1.188117       1.609323  
1 1 1 -8  4  14 o 5.903732  0.3598055     38.24667       5.002465  30.41612       7.276929      0.7073348      0.7196110 
1 1 1 -8  4  15 o 8.644353  0.5297978     83.89121       12.62251  67.23418       12.93757      0.9791843      1.059596  
1 1 1 -8  4  16 o 16.79794  0.9574689     304.6111       44.98598  285.0923       45.18521      0.5887662      1.914938  
1 1 1 -8  4  17 o 14.09964  0.8296608     213.9978       32.59571  201.8667       32.95707      0.4409764      1.659322  
1 1 1 -8  4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  4  19 o 14.62178  0.9271181     250.2709       37.68813  225.5011       38.09503      0.8741359      1.854236  
1 1 1 -8  4  20 o 8.928690  0.6825303     92.60355       16.59071  81.83876       17.29178      0.6504638      1.365061  
1 1 1 -8  4  21 o 6.875502  0.7614955     54.45705       13.85030  57.93056       14.84139      -0.1677223     1.522991  
1 1 1 -8  4  22 o 6.265847  0.8617629     44.70142       14.17865  61.04655       15.23422      -1.167175      1.723526  
1 1 1 -8  4  23 o 2.496836  0.7709922     22.38328       13.22490  -20.46394      13.74975      1.605507       1.541984  
1 1 1 -8  4  24 o 2.669549  0.8137382     1.377184       15.06719  23.26382       11.40519      -1.051407      1.627476  
1 1 1 -8  6  1  o 14.38678  0.5384386     223.9936       21.81174  191.6529       21.78208      1.128740       1.076877  
1 1 1 -8  6  2  o 33.70493  1.397012      1142.652       123.9885  1185.439       143.2466      -0.5263968     2.794023  
1 1 1 -8  6  3  o 27.72796  1.050401      793.3195       82.10795  766.2035       82.03050      0.4900852      2.100803  
1 1 1 -8  6  4  o 8.567471  0.3234772     77.80188       7.805257  69.41441       7.801246      0.4914202      0.6469545 
1 1 1 -8  6  5  o 10.07009  0.3829314     105.0693       10.86428  98.62549       10.86197      0.3210190      0.7658628 
1 1 1 -8  6  6  o 8.373502  0.3239159     72.33944       7.635720  68.50301       7.645087      0.2299122      0.6478318 
1 1 1 -8  6  7  o 16.76923  0.6274822     303.3924       29.63271  264.9871       29.60575      1.149683       1.254964  
1 1 1 -8  6  8  o 16.63683  0.6308652     288.9106       29.57073  272.0936       29.56610      0.5070671      1.261730  
1 1 1 -8  6  9  o 11.49994  0.4423280     141.7121       14.32351  124.7150       14.31127      0.7420747      0.8846560 
1 1 1 -8  6  10 o 18.64495  0.7181013     358.0646       37.72458  349.0064       37.72398      0.2436605      1.436203  
1 1 1 -8  6  11 o 7.930727  0.3221746     67.95309       7.180887  58.34991       7.189572      0.6085318      0.6443492 
1 1 1 -8  6  12 o 25.14090  0.9751449     680.3831       69.05771  612.7828       68.98347      1.349217       1.950290  
1 1 1 -8  6  13 o 19.39904  0.7492010     400.0721       40.94699  364.0670       40.90184      0.9312579      1.498402  
1 1 1 -8  6  14 o 21.09274  0.8222343     468.9865       48.86263  440.2934       48.83207      0.6822829      1.644469  
1 1 1 -8  6  15 o 23.45166  0.9082992     573.3839       60.01496  563.4089       60.01836      0.2133764      1.816598  
1 1 1 -8  6  16 o 7.701326  0.3722452     67.88287       7.983562  51.83256       8.047859      1.051415       0.7444903 
1 1 1 -8  6  17 o 13.60242  0.5574608     210.2672       21.28820  168.1292       21.26767      1.557471       1.114922  
1 1 1 -8  6  18 o 10.74494  0.4789003     127.3038       14.40565  109.0077       14.50587      0.8584973      0.9578007 
1 1 1 -8  6  19 o 3.531487  0.6774234     15.06504       6.782247  12.18368       7.202621      0.3614302      1.354847  
1 1 1 -8  6  20 o 4.488005  0.6306429     28.12143       7.658814  15.86987       8.036653      1.385996       1.261286  
1 1 1 -8  6  21 o 5.155474  0.6421542     39.69477       8.747210  20.90106       9.307117      1.906758       1.284308  
1 1 1 -8  6  22 o 4.593759  0.7532121     24.26560       9.355800  31.47962       9.880238      -0.6894516     1.506424  
1 1 1 -8  6  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  6  24 o 2.122210  0.7267856     -1.190438      11.34201  10.87302       15.83752      -0.4220476     1.453571  
1 1 1 -8  8  1  o 21.60155  0.8056932     520.3988       48.93156  422.0211       48.87071      2.287583       1.611386  
1 1 1 -8  8  2  o 39.68292  1.551021      1598.656       173.3590  1658.686       173.4144      -0.7584215     3.102043  
1 1 1 -8  8  3  o 13.86794  0.5320002     194.1158       20.78819  193.2323       20.79026      0.3196243E-01  1.064000  
1 1 1 -8  8  4  o 7.622508  0.2924757     61.28263       6.278811  55.29506       6.275877      0.3942876      0.5849513 
1 1 1 -8  8  5  f 20.59566  0.7800297     445.1240       45.26480  415.8504       45.24784      0.7129873      1.560059  
1 1 1 -8  8  6  o 19.64184  0.7536400     400.2247       41.71898  384.3156       41.69221      0.4060596      1.507280  
1 1 1 -8  8  7  o 7.321089  0.2839889     60.26605       5.837478  47.42690       5.830521      0.8814185      0.5679777 
1 1 1 -8  8  8  o 11.08200  0.4174174     134.4491       13.01872  112.7988       13.00040      0.9811556      0.8348349 
1 1 1 -8  8  9  o 8.607100  0.3347417     76.93464       8.107356  72.03013       8.122409      0.2860324      0.6694835 
1 1 1 -8  8  10 f 7.012775  0.2877925     50.87650       5.656018  47.93115       5.708696      0.2111899      0.5755850 
1 1 1 -8  8  11 o 19.80298  0.7510663     417.3752       41.90372  378.2798       41.86548      0.9905896      1.502133  
1 1 1 -8  8  12 o 26.84488  1.047325      759.6587       79.20840  721.4789       79.18097      0.7132913      2.094651  
1 1 1 -8  8  13 o 8.835542  0.3581057     84.65426       8.876965  72.23189       8.916583      0.7068509      0.7162115 
1 1 1 -8  8  14 o 14.63388  0.5648829     231.2683       23.27016  202.2412       23.25730      0.9960056      1.129766  
1 1 1 -8  8  15 o 5.988736  0.3584619     42.36145       5.860644  29.96629       6.047314      1.051632       0.7169237 
1 1 1 -8  8  16 o 12.15830  0.4923500     153.9209       16.78990  146.5929       16.92477      0.3041503      0.9847001 
1 1 1 -8  8  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  8  18 o 16.67151  0.6870657     324.3344       32.20664  263.0203       32.09328      1.845905       1.374131  
1 1 1 -8  8  19 o 7.817612  0.4665646     63.22298       10.01568  64.54377       10.43722      -0.7045100E-01 0.9331291 
1 1 1 -8  8  20 o 7.696549  0.5019201     74.54832       10.50896  51.94899       10.81585      1.508833       1.003840  
1 1 1 -8  8  21 o 8.005019  0.5488967     88.70838       11.75015  55.18291       12.10907      2.164560       1.097793  
1 1 1 -8  8  22 o 2.379232  0.7375571     2.478513       9.188548  6.526754       9.897405      -0.2783805     1.475114  
1 1 1 -8  8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  8  24 o 1.811098  0.6329381     3.762776       11.75149  -14.09667      12.49109      0.3704650      1.265876  
1 1 1 -8  10 1  o 9.081783  0.3690805     92.79047       10.14455  73.89941       8.767740      1.034876       0.7381610 
1 1 1 -8  10 2  o 7.060243  0.2706878     53.75982       5.399765  46.26498       5.354847      0.5328056      0.5413757 
1 1 1 -8  10 3  o 18.31009  0.6536087     378.5307       33.63867  300.1206       33.57600      2.150333       1.307217  
1 1 1 -8  10 4  o 9.476399  0.3598055     96.75909       9.599865  83.69923       9.590461      0.6920108      0.7196110 
1 1 1 -8  10 5  o 4.933948  0.2124562     27.85206       2.930929  21.04749       2.936185      0.6941996      0.4249125 
1 1 1 -8  10 6  o 19.46028  0.7437802     405.6174       40.77440  365.2612       40.73467      1.040619       1.487560  
1 1 1 -8  10 7  o 19.51072  0.7393678     405.8039       40.63578  368.9568       40.61497      0.9476541      1.478736  
1 1 1 -8  10 8  o 13.61381  0.5174763     198.7166       19.83803  175.1760       19.82402      0.8680863      1.034953  
1 1 1 -8  10 9  o 20.11717  0.7659936     423.3127       43.41396  399.4557       43.40928      0.5948946      1.531987  
1 1 1 -8  10 10 o 5.062695  0.2595681     30.98733       3.578929  20.64638       3.693124      1.033199       0.5191362 
1 1 1 -8  10 11 o 24.49891  0.9460953     640.4717       65.30051  586.7606       65.24037      1.099830       1.892191  
1 1 1 -8  10 12 o 8.535423  0.3552692     77.09753       8.490563  69.34306       8.574213      0.4569978      0.7105384 
1 1 1 -8  10 13 o 27.22663  1.063303      812.6198       81.55280  726.1256       81.42493      1.593421       2.126607  
1 1 1 -8  10 14 o 9.477695  1.174290      93.62307       21.78335  ?              ?             ?              ?         
1 1 1 -8  10 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  10 16 o 12.80107  0.5236989     190.8097       18.74396  144.2373       18.78451      1.830774       1.047398  
1 1 1 -8  10 17 o 6.141473  0.4712486     49.83441       7.529889  27.93288       7.988630      1.840174       0.9424972 
1 1 1 -8  10 18 o 7.177256  0.4603659     58.85770       8.969391  47.43398       9.461223      0.8229203      0.9207318 
1 1 1 -8  10 19 o 3.215406  0.7382796     7.892539       7.489026  15.41855       8.236563      -0.8374695     1.476559  
1 1 1 -8  10 20 o 5.453755  0.6408657     32.96576       9.079177  35.97847       10.06707      -0.1938601     1.281731  
1 1 1 -8  10 21 o 2.851123  0.7703189     15.37422       8.942815  3.418087       9.688057      0.9361874      1.540638  
1 1 1 -8  10 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  10 23 o 2.460261  0.7601398     22.53053       11.41897  -3.042541      12.10174      1.185717       1.520280  
1 1 1 -8  12 1  o 20.99792  0.7911223     489.1578       50.37867  414.6588       43.57305      1.713531       1.582245  
1 1 1 -8  12 2  o 8.760287  0.3766683     72.37403       10.04729  81.17702       8.654554      -0.5170255     0.7533366 
1 1 1 -8  12 3  o 17.12295  0.6618694     301.7303       31.93781  293.8063       31.92395      0.2319922      1.323739  
1 1 1 -8  12 4  o 9.691643  0.3697208     97.97749       10.07697  91.01489       10.10913      0.3607116      0.7394416 
1 1 1 -8  12 5  o 16.89087  0.6383342     306.7496       30.36641  271.3568       30.34139      1.051770       1.276668  
1 1 1 -8  12 6  o 5.083416  0.2233507     29.05414       3.175117  22.81142       3.188995      0.6182666      0.4467014 
1 1 1 -8  12 7  o 16.61502  0.6252748     300.9546       29.25208  257.3049       29.20838      1.319023       1.250550  
1 1 1 -8  12 8  o 1.254507  0.3515360     -0.5336779     1.872098  1.937290       2.076084      -0.4634178     0.7030720 
1 1 1 -8  12 9  o 8.299531  0.3301644     71.94212       7.688310  66.43832       7.742962      0.3332343      0.6603287 
1 1 1 -8  12 10 o 9.186908  0.3626949     88.70058       9.353253  80.92802       9.409500      0.4251072      0.7253899 
1 1 1 -8  12 11 o 14.26870  0.5469475     214.9185       21.96765  196.3048       21.98783      0.6548863      1.093895  
1 1 1 -8  12 12 o 6.186749  0.3259299     46.70002       5.475523  30.59489       5.660596      1.318099       0.6518598 
1 1 1 -8  12 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  12 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  12 15 o 6.248489  0.4070147     44.07260       6.850454  34.84101       7.328251      0.7589025      0.8140293 
1 1 1 -8  12 16 o 2.116138  0.5955286     -5.400414      5.798385  7.633682       6.728042      -1.237702      1.191057  
1 1 1 -8  12 17 o 4.647355  0.5809923     24.30729       6.972137  21.58774       7.849067      0.3374431      1.161985  
1 1 1 -8  12 18 o 3.650812  0.7163379     10.48881       7.308428  20.06524       8.343076      -1.097860      1.432676  
1 1 1 -8  12 19 o 3.325730  0.7776085     12.33753       8.121896  14.10540       8.929332      -0.1854093     1.555217  
1 1 1 -8  12 20 o 3.626808  0.8167817     16.27387       8.958935  19.43398       9.967534      -0.2692318     1.633563  
1 1 1 -8  12 21 o 2.308438  0.7347138     5.300674       9.732487  -0.1606208     10.66075      0.2210245      1.469428  
1 1 1 -8  12 22 o 2.252430  0.7441337     2.939798       11.36723  5.071800       12.11307      -0.1061112     1.488267  
1 1 1 -8  14 1  o 14.55256  0.5809250     218.7137       25.70546  211.0859       22.28183      0.2363171      1.161850  
1 1 1 -8  14 2  o 6.024897  0.2637901     41.26145       4.790920  32.08109       4.161812      0.7597620      0.5275802 
1 1 1 -8  14 3  o 9.427730  0.3686633     96.21693       9.771005  82.43198       9.782429      0.7346097      0.7373267 
1 1 1 -8  14 4  o 6.445340  0.2727152     45.64774       4.843789  37.60986       5.029828      0.6290122      0.5454305 
1 1 1 -8  14 5  o 22.09013  0.8437816     528.2038       52.49519  465.7232       52.43725      1.419673       1.687563  
1 1 1 -8  14 6  o 23.58425  0.8959287     593.4885       59.52477  541.3066       59.48862      1.110132       1.791857  
1 1 1 -8  14 7  o 8.458661  0.3345330     80.66743       7.936874  63.13253       7.937288      1.042202       0.6690660 
1 1 1 -8  14 8  o 15.14991  0.5668994     245.7999       24.18549  217.2974       24.17522      0.9444017      1.133799  
1 1 1 -8  14 9  o 5.455782  0.2972477     40.00524       4.281264  20.86968       4.431149      1.776822       0.5944955 
1 1 1 -8  14 10 o 10.39008  0.4108932     121.3646       11.96627  96.06828       11.99272      1.224178       0.8217864 
1 1 1 -8  14 11 o 3.810309  0.3866661     16.76502       3.817926  12.38615       4.275625      0.6059988      0.7733323 
1 1 1 -8  14 12 o 13.07396  0.5165245     184.6819       18.97171  161.5836       19.03081      0.8880468      1.033049  
1 1 1 -8  14 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  14 14 o 9.142464  0.4161489     90.27507       10.53972  79.07433       10.84782      0.6208283      0.8322977 
1 1 1 -8  14 15 o 7.904153  0.4316762     67.18166       9.310897  60.16081       9.844007      0.4585893      0.8633524 
1 1 1 -8  14 16 o 2.186859  0.6419545     5.221787       6.465393  -4.649717      7.571684      0.6019385      1.283909  
1 1 1 -8  14 17 o 6.591035  0.5627342     64.01706       9.222372  29.62958       9.928047      2.718563       1.125468  
1 1 1 -8  14 18 o 2.939934  0.6930603     18.13018       8.082710  -5.217849      9.114571      1.882961       1.386121  
1 1 1 -8  14 19 o 2.309930  0.7084082     -4.591680      8.415885  8.977642       10.11637      -0.9605079     1.416816  
1 1 1 -8  14 20 o 5.405176  0.7472569     52.89336       10.90731  25.33460       11.89923      2.635826       1.494514  
1 1 1 -8  14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  16 1  o 13.26760  0.5356574     183.5925       21.59190  173.0514       18.72653      0.3792884      1.071315  
1 1 1 -8  16 2  o 11.81650  0.4632543     160.0263       16.57914  122.8157       14.28929      1.565107       0.9265085 
1 1 1 -8  16 3  o 6.400952  0.2884912     46.88055       5.527097  35.89199       4.860267      0.8571445      0.5769825 
1 1 1 -8  16 4  o 4.472940  0.2344118     22.12453       2.892809  17.98118       2.979468      0.4684474      0.4688237 
1 1 1 -8  16 5  o 25.25265  0.9741256     692.4037       69.27594  612.5391       69.20444      1.587373       1.948251  
1 1 1 -8  16 6  o 28.40282  1.095656      863.1934       87.65801  800.4035       87.63263      1.109120       2.191312  
1 1 1 -8  16 7  o 10.67888  0.4010851     125.1267       12.04079  104.2496       12.04676      0.9820578      0.8021702 
1 1 1 -8  16 8  o 4.626426  0.2955267     24.11733       3.672592  18.76145       3.949632      0.5917385      0.5910533 
1 1 1 -8  16 9  o 15.46296  0.5831112     256.5120       25.37546  227.9773       25.39692      0.9266070      1.166222  
1 1 1 -8  16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  16 11 o 6.068230  0.3583819     41.81443       5.865875  32.24352       6.268123      0.8048630      0.7167639 
1 1 1 -8  16 12 o 2.566396  0.5947933     7.827212       4.725371  4.375604       5.570562      0.3899771      1.189587  
1 1 1 -8  16 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  16 14 o 5.035134  0.5339980     31.91901       6.775762  19.88249       7.902261      1.279188       1.067996  
1 1 1 -8  16 15 o 1.711728  0.5582048     -13.02197      6.573510  0.2698516      7.682023      -0.8363931     1.116410  
1 1 1 -8  16 16 o 5.703860  0.5781766     41.22630       8.475201  27.76002       9.515862      1.281335       1.156353  
1 1 1 -8  16 17 o 3.369349  0.7453126     19.14241       8.143203  5.102650       9.469940      1.356485       1.490625  
1 1 1 -8  16 18 o 4.986353  0.7576169     29.50380       9.524434  33.79973       11.46973      -0.2054018     1.515234  
1 1 1 -8  16 19 o 2.135077  0.7008124     2.091830       9.665190  -7.169178      11.11510      0.2705645      1.401625  
1 1 1 -8  16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  16 21 o 4.441803  1.011431      44.11869       13.65616  52.92702       15.31606      -0.2478907     2.022862  
1 1 1 -8  18 1  o 18.96222  0.7827353     385.9250       45.07285  349.8372       39.03247      0.9012671      1.565471  
1 1 1 -8  18 2  o 9.380035  0.3955806     93.69324       11.23595  84.32799       9.771398      0.4901545      0.7911612 
1 1 1 -8  18 3  o 5.433091  0.2702294     37.53873       3.957535  22.32484       4.078197      1.415436       0.5404587 
1 1 1 -8  18 4  o 20.39148  0.7660688     477.1320       43.87249  370.4424       43.75441      2.628068       1.532138  
1 1 1 -8  18 5  o 1.898005  0.3914070     6.148083       2.434036  -1.716938      3.297511      1.112513       0.7828140 
1 1 1 -8  18 6  o 11.41041  0.4331272     147.9585       13.87333  114.7623       13.84883      1.461898       0.8662544 
1 1 1 -8  18 7  o 6.311122  0.5520169     48.25989       7.867602  30.56495       11.39927      1.526763       1.104034  
1 1 1 -8  18 8  o 14.54611  0.5475062     236.2739       22.38489  193.0090       22.37498      1.494177       1.095012  
1 1 1 -8  18 9  o 11.03502  0.4303720     134.1658       13.27760  111.8800       13.42227      1.016445       0.8607441 
1 1 1 -8  18 10 f 10.91622  0.4588883     135.1861       13.95637  106.5194       14.13103      1.323558       0.9177766 
1 1 1 -8  18 11 o 2.934876  1.164227      ?              ?         5.397703       10.17938      ?              ?         
1 1 1 -8  18 12 o 18.30228  0.7193848     364.7162       37.01911  338.5972       37.13340      0.7191594      1.438770  
1 1 1 -8  18 13 o 8.386323  0.4456648     68.86512       10.09958  76.25832       10.91201      -0.4235367     0.8913296 
1 1 1 -8  18 14 o 4.825928  0.6028314     28.72140       7.460568  20.47417       8.611596      0.9328839      1.205663  
1 1 1 -8  18 15 o 2.172431  0.6727825     -3.247690      7.431509  3.145443       8.784443      -0.5773754     1.345565  
1 1 1 -8  18 16 o 2.328165  0.7022689     -4.842326      8.159365  8.596159       9.626188      -1.005229      1.404538  
1 1 1 -8  18 17 o 3.925905  0.8017302     26.63921       9.412354  12.64440       11.31195      1.432441       1.603460  
1 1 1 -8  18 18 o 2.409585  0.7460283     12.22995       10.19144  -8.115631      11.67038      0.9185434      1.492057  
1 1 1 -8  18 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  18 20 o 2.303775  0.7698888     16.66257       13.04075  -0.6455872     14.69228      0.5393565      1.539778  
1 1 1 -8  20 1  o 21.63545  0.8872690     526.0836       58.17083  444.8308       50.33676      1.779352       1.774538  
1 1 1 -8  20 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  20 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  20 4  o 17.35122  0.6604585     330.8555       32.26988  283.1835       32.21046      1.379205       1.320917  
1 1 1 -8  20 5  o 16.29780  0.6126040     298.8715       28.07764  242.3968       28.02191      1.740247       1.225208  
1 1 1 -8  20 6  o 13.81618  0.5391464     231.3867       20.68326  158.4567       20.76902      2.655756       1.078293  
1 1 1 -8  20 7  f 4.886176  0.3632995     26.52089       4.646149  21.44427       5.254811      0.5424688      0.7265991 
1 1 1 -8  20 8  o 16.01563  0.5990450     277.3674       26.98508  248.3997       27.04738      0.9088989      1.198090  
1 1 1 -8  20 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  20 10 o 6.928839  0.4145594     55.81138       7.677197  41.66014       8.310053      1.049425       0.8291188 
1 1 1 -8  20 11 o 4.953213  0.5139925     25.54614       6.493885  26.15713       7.621398      -0.2044255E-01 1.027985  
1 1 1 -8  20 12 o 7.992751  0.4518916     64.71267       9.711744  68.17930       10.60384      -0.1909412     0.9037832 
1 1 1 -8  20 13 o 5.898934  0.5475667     40.73838       8.334747  32.85270       9.532243      0.7524902      1.095133  
1 1 1 -8  20 14 o 2.077949  0.6648350     -3.026398      7.682736  -1.386837      9.171259      -0.2742722     1.329670  
1 1 1 -8  20 15 o 2.466381  0.7235355     10.35472       8.607450  -6.615051      10.13226      0.9389673      1.447071  
1 1 1 -8  20 16 o 3.235204  0.8284797     19.03116       9.535254  7.893681       11.61298      0.9121877      1.656959  
1 1 1 -8  20 17 o 2.477536  0.7829858     8.441236       10.61437  1.433512       12.33775      0.2725388      1.565972  
1 1 1 -8  20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  22 1  o 4.731565  0.3740798     25.92620       4.941919  19.52940       4.835626      0.6868379      0.7481596 
1 1 1 -8  22 2  o 9.279461  0.4005584     101.9247       10.48382  72.89497       10.27351      1.571911       0.8011167 
1 1 1 -8  22 3  o 11.89850  0.4924331     162.1223       17.73528  127.6786       15.31149      1.418706       0.9848663 
1 1 1 -8  22 4  o 12.40050  0.5143373     176.8124       19.25655  138.7072       16.70227      1.503377       1.028675  
1 1 1 -8  22 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  22 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  22 7  o 14.23763  0.5224414     227.5294       20.82937  188.9677       20.99779      1.363813       1.044883  
1 1 1 -8  22 8  o 2.632055  0.6396489     5.585629       5.253584  8.246429       6.385264      -0.4102279     1.279298  
1 1 1 -8  22 9  o 9.176511  0.4400207     94.59533       11.05529  78.29418       11.60098      0.9096950      0.8800414 
1 1 1 -8  22 10 o 1.775951  0.5675612     1.205491       6.070227  -10.52860      7.094249      0.5082488      1.135122  
1 1 1 -8  22 11 o 5.495633  0.5483300     33.44698       7.661223  31.37863       9.093496      0.2729529      1.096660  
1 1 1 -8  22 12 o 4.382153  0.6774165     25.86076       7.786106  17.12270       9.148707      1.046254       1.354833  
1 1 1 -8  22 13 o 4.459661  0.7165366     30.12069       8.647879  16.59844       10.02923      1.515426       1.433073  
1 1 1 -8  22 14 o 2.860300  0.7922264     13.45191       9.100763  4.353566       10.50976      0.6451730      1.584453  
1 1 1 -8  22 15 o 2.521526  0.7526139     -7.081636      9.858966  19.33111       12.03659      -1.535369      1.505228  
1 1 1 -8  22 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  24 1  o 9.891643  0.4332150     114.0613       12.03973  86.16766       11.94156      1.417480       0.8664300 
1 1 1 -8  24 2  o 12.03547  0.4626007     173.6623       15.61347  124.3185       15.48290      2.058411       0.9252014 
1 1 1 -8  24 3  o 3.924925  0.4667901     18.89278       4.790045  12.70947       5.233016      0.8290904      0.9335803 
1 1 1 -8  24 4  o 9.975362  0.4003055     104.3360       11.08539  99.09829       11.41270      0.2704059      0.8006111 
1 1 1 -8  24 5  o 6.396619  0.3955264     46.04806       6.727560  37.35952       7.428202      0.7084714      0.7910529 
1 1 1 -8  24 6  o 4.816803  0.4885655     24.50640       6.071844  24.50152       6.953229      0.3865295E-01  0.9771311 
1 1 1 -8  24 7  o 3.249515  0.6557037     15.58099       6.045243  3.438589       8.880581      1.200173       1.311407  
1 1 1 -8  24 8  o 11.94187  0.5076639     153.3837       16.76658  148.1410       17.38102      0.2455631      1.015328  
1 1 1 -8  24 9  o 12.19488  0.5354046     174.8170       18.02002  144.0953       18.61800      1.298822       1.070809  
1 1 1 -8  24 10 o 2.765630  0.7182448     11.85125       7.238552  1.693279       8.835586      0.8160060      1.436490  
1 1 1 -8  24 11 o 1.913314  0.6125966     4.184982       7.572640  -17.09297      9.130573      0.7926500      1.225193  
1 1 1 -8  24 12 o 6.231258  0.6376497     35.25468       9.890746  58.57671       11.69421      -1.707274      1.275299  
1 1 1 -8  24 13 f 2.452792  0.7418975     12.17972       9.276443  -6.217860      11.51162      0.8759446      1.483795  
1 1 1 -8  24 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  24 15 o 2.429119  0.7882161     14.88840       12.03993  1.037871       13.78357      0.5290667      1.576432  
1 1 1 -8  26 1  f 2.859429  0.6784223     6.519445       6.363863  10.95327       6.747303      -0.5378149     1.356845  
1 1 1 -8  26 2  o 10.57656  0.4306478     123.7269       12.70361  109.1438       12.92597      0.7008968      0.8612956 
1 1 1 -8  26 3  o 5.959043  0.4313810     46.27944       6.645653  27.93976       7.248919      1.601124       0.8627619 
1 1 1 -8  26 4  o 1.652264  0.5302634     -1.805501      4.872756  -3.080672      5.966333      -0.1023182     1.060527  
1 1 1 -8  26 5  o 2.161632  0.6365609     3.867772       5.469669  -1.619475      8.281267      0.8671228E-01  1.273122  
1 1 1 -8  26 6  o 10.00583  0.4791873     104.9093       13.15913  110.1381       13.82245      -0.2262238     0.9583746 
1 1 1 -8  26 7  o 5.517352  0.5940471     35.36420       8.522339  33.58775       9.517236      0.2513312      1.188094  
1 1 1 -8  26 8  o 2.486299  0.7234077     8.595708       7.402730  -3.897985      10.97163      0.5340202      1.446815  
1 1 1 -8  26 9  o 5.161603  0.8642933     63.96856       15.92798  16.43293       11.09129      3.497754       1.728587  
1 1 1 -8  26 10 o 3.711259  0.9829071     -8.653135      16.73885  58.24942       20.31641      -3.058576      1.965814  
1 1 1 -8  26 11 f 3.048299  0.9936466     19.61536       17.90945  14.20660       23.11914      0.1927844      1.987293  
1 1 1 -8  26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  28 1  o 5.687096  0.9954256     49.53379       20.44495  46.00470       13.96459      -0.5452112     1.990851  
1 1 1 -8  28 2  o 4.345119  0.8784594     39.10224       12.64173  13.12865       12.65345      2.214674       1.756919  
1 1 1 -8  28 3  o 5.593279  0.8814284     57.12753       14.22835  28.77127       14.08339      2.375146       1.762857  
1 1 1 -8  28 4  o 2.657718  0.8190073     14.32118       12.59694  -5.269102      12.46361      0.9754833      1.638015  
1 1 1 -8  28 5  o 3.374267  0.9475903     14.95367       12.54113  21.32466       14.63192      -0.3758345     1.895181  
1 1 1 -8  28 6  f 2.401226  0.8049889     -9.004168      14.12890  4.989060       15.58889      -0.5147193     1.609978  
1 1 1 -8  28 7  o 2.785618  0.9054425     4.378860       14.75447  16.40057       18.24912      -0.4905136     1.810885  
1 1 1 -8  28 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -8  30 5  o 2.684010  0.7414773     -0.1277201     7.866996  29.42329       11.70770      -1.932079      1.482955  
1 1 1 -7  1  1  o 14.16703  1.063604      202.5710       29.91615  ?              ?             ?              ?         
1 1 1 -7  1  2  o 6.309845  0.4922960     40.08864       6.163469  ?              ?             ?              ?         
1 1 1 -7  1  3  o 20.46296  1.101694      467.3047       63.14432  379.6778       63.03390      2.159899       2.203388  
1 1 1 -7  1  4  o 20.37800  1.056509      479.3324       60.19831  361.1471       60.03130      2.925925       2.113018  
1 1 1 -7  1  5  o 31.50531  1.685662      1174.437       148.2327  867.9094       147.8406      4.911051       3.371325  
1 1 1 -7  1  6  o 16.25033  0.8747276     300.6855       39.74791  233.3077       39.68601      2.092757       1.749455  
1 1 1 -7  1  7  o 21.11729  1.146998      490.6902       67.90809  419.9979       67.80867      1.686967       2.293995  
1 1 1 -7  1  8  o 6.294942  0.3585605     43.67089       6.290006  35.99526       6.336031      0.6161680      0.7171211 
1 1 1 -7  1  9  o 7.313912  0.4128173     58.50207       8.428592  49.27606       8.472743      0.6370382      0.8256346 
1 1 1 -7  1  10 o 16.28778  0.7312272     291.6067       40.80064  257.1712       28.82356      0.9377472      1.462454  
1 1 1 -7  1  11 o 20.39970  0.7924340     436.0653       45.54808  412.9780       45.52204      0.5675665      1.584868  
1 1 1 -7  1  12 o 19.48643  0.7529302     393.1213       41.34261  378.9083       41.32825      0.3657460      1.505860  
1 1 1 -7  1  13 o 7.158784  0.3039703     52.47115       6.123731  50.57926       6.127625      0.1326748      0.6079406 
1 1 1 -7  1  14 o 22.42903  0.8758185     512.8021       55.34064  514.9222       55.34952      -0.4733452E-01 1.751637  
1 1 1 -7  1  15 o 8.371618  0.3535288     70.52302       8.323351  70.66380       8.342455      -0.8297855E-02 0.7070577 
1 1 1 -7  1  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  1  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  1  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  1  19 o 2.950722  0.6608419     8.399528       6.164434  9.721184       6.218039      -0.1698717     1.321684  
1 1 1 -7  1  20 o 7.872283  0.4517423     58.66158       9.894466  69.99038       10.00170      -0.7227666     0.9034845 
1 1 1 -7  1  21 o 5.928497  0.5654319     52.27427       8.791704  24.89656       8.806164      2.383057       1.130864  
1 1 1 -7  1  22 o 5.894066  0.6037683     50.84083       9.552472  28.89180       9.507111      1.920378       1.207537  
1 1 1 -7  1  23 o 2.266821  0.7111370     5.443624       9.018743  0.2436503      9.340154      0.2751142      1.422274  
1 1 1 -7  1  24 o 2.802846  0.8222324     14.81668       10.70827  14.61463       10.68664      0.1258828E-01  1.644465  
1 1 1 -7  1  25 o 2.622558  0.7901010     30.40434       11.71323  7.585806       11.67885      1.199827       1.580202  
1 1 1 -7  3  1  o 37.43661  1.519802      1565.564       148.6597  1271.933       171.4103      4.057911       3.039605  
1 1 1 -7  3  2  o 45.88505  1.739461      2258.977       224.8618  2049.844       224.6748      2.286613       3.478922  
1 1 1 -7  3  3  o 46.17625  1.728261      2269.722       224.9372  2099.864       224.6808      1.844283       3.456522  
1 1 1 -7  3  4  o 18.23566  0.6727678     362.2470       34.53487  306.2983       34.49548      1.540572       1.345536  
1 1 1 -7  3  5  o 33.81574  1.254353      1221.668       119.5426  1103.895       119.3868      1.747038       2.508706  
1 1 1 -7  3  6  o 18.04725  0.6679626     349.6310       33.95451  306.0711       33.92028      1.211562       1.335925  
1 1 1 -7  3  7  o 20.88612  0.7886857     467.7448       46.39956  414.2515       46.35138      1.285522       1.577371  
1 1 1 -7  3  8  f 14.28079  0.5442566     219.3739       21.88983  191.6945       21.86138      0.9730766      1.088513  
1 1 1 -7  3  9  o 3.735039  0.2392180     15.68560       2.091417  11.74859       2.994475      0.5564623      0.4784359 
1 1 1 -7  3  10 o 5.286655  0.3369261     33.34369       4.875526  22.96729       4.975723      0.9978310      0.6738521 
1 1 1 -7  3  11 o 11.67182  0.6557385     157.6329       21.34235  118.8956       21.34155      1.677400       1.311477  
1 1 1 -7  3  12 o 13.23167  0.7387812     198.2031       27.32340  157.4565       27.31328      1.555081       1.477562  
1 1 1 -7  3  13 o 36.06828  2.156642      1517.829       217.7479  1364.250       217.6430      2.146297       4.313284  
1 1 1 -7  3  14 o 4.198621  0.4270767     13.65026       4.586432  22.48203       5.143317      -1.069757      0.8541535 
1 1 1 -7  3  15 o 14.53724  0.8256165     227.2402       33.56710  206.2439       33.70001      0.7294852      1.651233  
1 1 1 -7  3  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  3  17 o 19.17489  1.575455      394.7444       59.88569  ?              ?             ?              ?         
1 1 1 -7  3  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  3  19 o 3.833422  0.7292976     14.71765       8.583243  17.21723       7.739794      -0.2929785     1.458595  
1 1 1 -7  3  20 o 6.704961  0.4742028     52.36058       8.840914  41.48579       8.822002      0.8228208      0.9484056 
1 1 1 -7  3  21 o 5.348381  0.5844960     25.16714       8.331278  37.73889       8.623582      -1.192148      1.168992  
1 1 1 -7  3  22 o 2.877221  0.7557139     6.423044       8.304994  13.17317       8.476849      -0.6267765     1.511428  
1 1 1 -7  3  23 o 5.035678  0.7144428     42.70152       9.921280  24.77760       10.06487      1.792796       1.428886  
1 1 1 -7  3  24 o 2.676172  0.7641771     1.279469       10.31156  23.20564       10.46300      -1.379736      1.528354  
1 1 1 -7  5  1  o 7.048738  0.2610554     54.32903       5.186643  45.25677       5.163338      0.6462783      0.5221107 
1 1 1 -7  5  2  o 46.96421  1.813924      2330.774       240.0283  2209.580       239.9225      1.294026       3.627848  
1 1 1 -7  5  3  o 48.84201  1.818815      2618.182       250.2768  2298.026       249.8784      3.288348       3.637630  
1 1 1 -7  5  4  o 40.15508  1.496691      1817.371       168.9810  1483.810       168.7922      4.171834       2.993382  
1 1 1 -7  5  5  o 37.88322  1.428207      1559.613       152.4353  1381.831       152.2081      2.354477       2.856414  
1 1 1 -7  5  6  o 10.42383  0.3976891     114.0659       11.67677  104.1433       11.67229      0.4777209      0.7953782 
1 1 1 -7  5  7  o 2.610583  0.1861518     8.138516       1.325304  5.557639       1.352635      0.5044439      0.3723035 
1 1 1 -7  5  8  o 16.21800  0.6177714     277.6101       28.22827  254.4352       28.20610      0.7169638      1.235543  
1 1 1 -7  5  9  o 10.07509  0.3878616     108.4462       11.00131  95.76208       10.99760      0.6321195      0.7757233 
1 1 1 -7  5  10 o 19.09281  0.7363223     396.0279       39.59055  345.5628       39.53399      1.326851       1.472645  
1 1 1 -7  5  11 o 5.487854  0.2549244     35.98331       3.883811  24.71042       3.895727      1.035548       0.5098487 
1 1 1 -7  5  12 o 13.02821  0.5041268     179.5635       18.49780  162.5003       18.48731      0.6573865      1.008254  
1 1 1 -7  5  13 o 23.58762  0.9198673     588.0933       61.12982  548.5241       61.08479      0.8414289      1.839735  
1 1 1 -7  5  14 o 7.834491  0.3359586     66.42798       7.370551  56.87941       7.424710      0.6132356      0.6719173 
1 1 1 -7  5  15 o 6.466856  0.3241699     43.09595       5.822670  41.18486       5.959272      0.1499086      0.6483397 
1 1 1 -7  5  16 o 9.857455  0.4211125     112.5622       11.60691  83.96222       11.61205      1.460313       0.8422251 
1 1 1 -7  5  17 o 11.24911  0.4647898     130.0640       14.68059  127.1004       14.76601      0.1332718      0.9295796 
1 1 1 -7  5  18 o 9.087897  0.6353794     95.86456       16.00100  75.49802       16.08155      1.140024       1.270759  
1 1 1 -7  5  19 o 5.003297  0.6056151     28.81919       7.144719  22.69743       10.68289      0.7599821      1.211230  
1 1 1 -7  5  20 f 2.160513  0.6898499     2.987780       9.294489  -14.15094      10.18113      0.7064686      1.379700  
1 1 1 -7  5  21 o 7.169820  0.7355664     68.55576       14.05205  50.43718       14.70459      1.364548       1.471133  
1 1 1 -7  5  22 f 4.662763  0.9092913     22.85922       12.44540  40.17072       13.12276      -1.488924      1.818583  
1 1 1 -7  5  23 o 4.149032  0.9771894     21.98572       14.38906  44.09480       14.55832      -1.648958      1.954379  
1 1 1 -7  5  24 o 2.305782  0.7804641     11.62050       14.72935  0.9581022      14.37736      0.3149537      1.560928  
1 1 1 -7  7  1  o 15.37912  0.5988206     258.8840       27.91464  219.2152       24.15452      1.277455       1.197641  
1 1 1 -7  7  2  o 14.00912  0.5682932     204.3724       20.96803  188.5739       24.19442      0.5811762      1.136586  
1 1 1 -7  7  3  o 17.60204  0.6569040     329.1713       32.58054  294.4587       32.54115      0.9896709      1.313808  
1 1 1 -7  7  4  o 23.77163  0.8803781     609.0399       58.93690  533.8528       58.89875      1.587654       1.760756  
1 1 1 -7  7  5  o 17.80081  0.6740466     331.9081       33.81537  307.5558       33.78035      0.6862437      1.348093  
1 1 1 -7  7  6  o 9.035187  0.3319508     87.49798       8.446084  76.34839       8.441147      0.6194705      0.6639015 
1 1 1 -7  7  7  o 11.34270  0.4335806     136.8026       13.84993  122.1272       13.84209      0.6494826      0.8671612 
1 1 1 -7  7  8  o 8.280492  0.3200185     75.22763       7.449976  62.52054       7.448607      0.7710204      0.6400369 
1 1 1 -7  7  9  o 6.387521  0.2598503     44.75248       4.653234  37.13140       4.674189      0.5999592      0.5197006 
1 1 1 -7  7  10 o 5.662827  0.2515041     33.73421       3.979551  30.65092       4.031373      0.2740843      0.5030082 
1 1 1 -7  7  11 o 38.12728  1.526361      1594.433       163.9147  1479.210       163.7854      1.515189       3.052723  
1 1 1 -7  7  12 f 13.99656  0.5421634     209.2564       21.37008  185.7674       21.35054      0.8425074      1.084327  
1 1 1 -7  7  13 o 8.307817  0.3379296     72.48132       7.879072  66.22052       7.925873      0.3787258      0.6758592 
1 1 1 -7  7  14 o 27.27722  1.073209      818.0936       82.44992  723.4234       82.31577      1.741299       2.146418  
1 1 1 -7  7  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  7  16 o 9.298386  0.5224673     96.23328       14.96309  81.39975       12.50074      0.7667994      1.044935  
1 1 1 -7  7  17 o 6.812314  0.3947861     50.78864       7.396758  43.17768       7.659659      0.5687107      0.7895722 
1 1 1 -7  7  18 f 12.49154  0.5316095     177.3116       18.61015  144.0796       18.66291      1.339408       1.063219  
1 1 1 -7  7  19 o 4.746835  0.5751373     27.60819       7.243316  19.96325       7.656597      0.8481154      1.150275  
1 1 1 -7  7  20 o 4.780894  0.6129637     20.49403       7.709238  29.93543       8.208114      -0.9783412     1.225927  
1 1 1 -7  7  21 o 3.539603  0.7284884     22.32989       8.307744  7.108855       8.742963      1.592674       1.456977  
1 1 1 -7  7  22 o 5.277414  0.6896152     46.60674       9.785406  23.44236       10.23207      2.265193       1.379230  
1 1 1 -7  7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  7  24 o 2.791080  0.8359268     20.23902       11.14943  17.65599       11.82505      0.2083160      1.671854  
1 1 1 -7  9  1  o 18.13967  0.6791384     354.1389       34.68658  309.1356       34.66773      1.245541       1.358277  
1 1 1 -7  9  2  o 26.24232  0.9997923     689.9715       73.93491  711.6469       73.92141      -0.4143427     1.999585  
1 1 1 -7  9  3  o 13.77043  0.5217937     199.5815       20.24267  182.0811       20.23006      0.6377354      1.043587  
1 1 1 -7  9  4  o 21.08552  0.8019187     474.0714       47.62380  427.8932       47.60295      1.099138       1.603837  
1 1 1 -7  9  5  o 26.68879  1.031713      760.5963       77.56750  702.1985       77.52277      1.097684       2.063426  
1 1 1 -7  9  6  o 12.62976  0.4778396     171.7806       16.99164  149.6613       16.97980      0.8793302      0.9556792 
1 1 1 -7  9  7  o 14.85232  0.5610619     237.6960       23.46822  208.1423       23.44357      0.9989009      1.122124  
1 1 1 -7  9  8  o 2.354177  0.2591547     4.755698       1.580506  6.594142       1.742776      -0.3950482     0.5183094 
1 1 1 -7  9  9  o 8.036278  0.3171188     69.68587       7.153706  59.99749       7.183907      0.6058828      0.6342376 
1 1 1 -7  9  10 o 21.67490  0.8346668     501.0742       50.96305  455.8093       50.92215      1.047883       1.669334  
1 1 1 -7  9  11 o 14.53113  0.5597687     222.3162       22.90789  203.7732       22.90526      0.6404362      1.119537  
1 1 1 -7  9  12 o 12.63011  0.4915373     176.9857       17.45064  144.4405       17.43284      1.294803       0.9830746 
1 1 1 -7  9  13 o 16.68921  0.6457165     304.8450       30.33398  259.5564       30.28845      1.362768       1.291433  
1 1 1 -7  9  14 o 10.38689  0.4334144     128.0943       12.54839  90.26609       12.55324      1.832888       0.8668289 
1 1 1 -7  9  15 o 16.15811  0.6346518     294.9709       28.83825  237.7637       28.75196      1.778418       1.269304  
1 1 1 -7  9  16 o 11.48229  0.4799096     154.2814       15.37851  114.0244       15.42806      1.764942       0.9598192 
1 1 1 -7  9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  9  18 f 5.710588  0.4802741     36.73041       7.360237  30.59730       7.820693      0.5641598      0.9605481 
1 1 1 -7  9  19 o 4.563848  0.6055085     27.32137       7.260339  17.13178       7.999034      1.171012       1.211017  
1 1 1 -7  9  20 o 4.141754  0.7081403     19.16139       7.886909  21.41595       8.545987      -0.2162622     1.416281  
1 1 1 -7  9  21 o 2.158792  0.6407788     10.63157       8.299152  -15.50192      8.884166      1.368212       1.281558  
1 1 1 -7  9  22 o 1.840809  0.6257545     -5.886725      9.210008  -8.453078      9.894441      0.2282508E-01  1.251509  
1 1 1 -7  9  23 o 2.957505  0.8185810     25.40742       10.77278  7.553535       11.52641      1.241079       1.637162  
1 1 1 -7  11 1  o 17.75028  0.6698525     346.6210       33.45655  291.0872       33.42121      1.571228       1.339705  
1 1 1 -7  11 2  o 11.90699  0.4564226     149.9267       15.31266  135.5867       15.29289      0.6043862      0.9128451 
1 1 1 -7  11 3  o 12.48553  0.5089705     161.6647       16.73660  151.8520       19.32344      0.4139285      1.017941  
1 1 1 -7  11 4  o 1.419849  0.2939595     2.681710       1.379363  1.476522       1.173935      0.3645364      0.5879190 
1 1 1 -7  11 5  o 14.25835  0.5410976     216.7033       21.73146  194.0045       21.71479      0.7990156      1.082195  
1 1 1 -7  11 6  f 14.31313  0.5426006     219.0188       21.87448  194.8994       21.85652      0.8458232      1.085201  
1 1 1 -7  11 7  o 11.30916  0.4284391     138.8045       13.63731  118.6579       13.62688      0.8946217      0.8568782 
1 1 1 -7  11 8  o 16.23677  0.6105196     279.3283       27.92667  253.8271       27.90995      0.7880955      1.221039  
1 1 1 -7  11 9  o 7.122979  0.2884203     56.92282       5.747569  44.95340       5.778504      0.8452557      0.5768405 
1 1 1 -7  11 10 o 10.24336  0.3983712     111.7853       11.46806  99.12739       11.50414      0.6207461      0.7967424 
1 1 1 -7  11 11 o 14.25335  0.5492706     219.9964       22.03874  189.8418       22.01668      1.062414       1.098541  
1 1 1 -7  11 12 o 21.02689  0.8110191     484.0452       48.02157  417.7738       47.93779      1.582174       1.622038  
1 1 1 -7  11 13 o 21.79289  0.8379818     516.2177       51.44351  458.2333       51.36940      1.335038       1.675964  
1 1 1 -7  11 14 f 11.91762  0.4812124     156.7849       16.06489  130.5289       16.16657      1.108510       0.9624249 
1 1 1 -7  11 15 o 6.348549  0.3896151     48.67930       6.664076  32.88313       6.990993      1.268207       0.7792302 
1 1 1 -7  11 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  11 17 o 7.481637  0.4766939     80.26946       9.211235  37.48388       9.499390      2.914749       0.9533877 
1 1 1 -7  11 18 o 10.60926  0.4960438     130.3091       14.55408  104.1107       14.92969      1.256654       0.9920876 
1 1 1 -7  11 19 o 8.420588  0.4870851     77.94645       11.25295  72.51395       11.74869      0.3487335      0.9741701 
1 1 1 -7  11 20 o 2.872629  0.7203591     -0.8893895     8.131750  18.14469       8.960231      -1.684390      1.440718  
1 1 1 -7  11 21 o 2.631617  0.7691567     7.971070       8.924811  7.299624       9.756824      0.1832748E-01  1.538313  
1 1 1 -7  11 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  11 23 o 2.019826  0.6858944     -4.055125      11.01150  7.662027       11.98517      -0.4072747     1.371789  
1 1 1 -7  13 1  o 15.33948  0.6265569     246.6842       25.30622  228.3652       29.21522      0.6344686      1.253114  
1 1 1 -7  13 2  o 13.49540  0.5458916     190.9907       19.40740  175.5927       22.37607      0.5979667      1.091783  
1 1 1 -7  13 3  f 8.347487  0.3258095     74.93579       7.649336  65.06230       7.655386      0.5941392      0.6516190 
1 1 1 -7  13 4  o 16.69155  0.6341728     294.9438       29.81504  269.6388       29.80869      0.7607880      1.268346  
1 1 1 -7  13 5  o 21.95127  0.8450885     506.4743       52.26415  478.1057       52.24853      0.6482278      1.690177  
1 1 1 -7  13 6  o 11.14181  0.4227627     135.3849       13.25763  114.3734       13.23999      0.9471040      0.8455254 
1 1 1 -7  13 7  o 12.11290  0.4540702     156.6169       15.48555  138.6722       15.48540      0.7437086      0.9081403 
1 1 1 -7  13 8  o 7.801135  0.3013008     66.38429       6.589186  55.73201       6.629313      0.6863286      0.6026016 
1 1 1 -7  13 9  o 4.237808  0.2628530     18.38818       3.014604  17.81404       3.233527      0.7117789E-01  0.5257060 
1 1 1 -7  13 10 o 7.317441  0.3135801     59.65219       6.387749  47.85370       6.486388      0.8121250      0.6271603 
1 1 1 -7  13 11 o 32.09202  1.270675      1120.417       114.8846  1042.084       114.7671      1.223405       2.541349  
1 1 1 -7  13 12 o 9.526731  0.3927060     98.97617       10.44170  83.73775       10.59071      0.8054593      0.7854120 
1 1 1 -7  13 13 o 17.22135  0.6741989     335.7138       32.63353  270.5979       32.57061      1.899618       1.348398  
1 1 1 -7  13 14 o 6.763344  0.4014696     58.40690       7.219683  34.79422       7.576062      1.776837       0.8029391 
1 1 1 -7  13 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  13 16 o 2.542452  0.6669329     6.065568       5.981623  4.656392       6.894520      0.6071679E-01  1.333866  
1 1 1 -7  13 17 o 3.350043  0.6595011     18.04858       6.815965  4.383975       7.672828      1.525717       1.319002  
1 1 1 -7  13 18 o 11.13905  0.5412557     156.3979       16.59409  109.0393       16.87031      2.158079       1.082511  
1 1 1 -7  13 19 o 2.730989  0.7577122     6.665852       8.117952  8.015726       9.003031      -0.1650286     1.515424  
1 1 1 -7  13 20 o 3.711960  0.7546275     27.84396       9.224262  7.369531       10.03746      1.983287       1.509255  
1 1 1 -7  13 21 o 2.371925  0.7439760     10.88342       10.04523  -3.280056      11.14872      0.6631923      1.487952  
1 1 1 -7  13 22 o 2.051783  0.6928321     4.308169       10.92754  -4.838755      11.94367      0.2569373      1.385664  
1 1 1 -7  15 1  o 6.931556  0.2738118     50.75208       5.331366  45.68558       5.354065      0.3671734      0.5476235 
1 1 1 -7  15 2  o 12.56591  0.4681566     174.1982       16.57199  143.8536       16.50661      1.212501       0.9363132 
1 1 1 -7  15 3  o 12.10197  0.4629429     158.3892       15.76882  136.4558       15.75895      0.9101669      0.9258857 
1 1 1 -7  15 4  o 14.60516  0.6078689     230.2299       23.31062  198.3228       26.88936      1.127117       1.215738  
1 1 1 -7  15 5  o 24.88991  1.018037      674.4430       76.97745  603.3705       66.57007      1.332385       2.036075  
1 1 1 -7  15 6  o 15.18407  0.5620118     251.5164       24.02141  213.4911       23.99729      1.257432       1.124024  
1 1 1 -7  15 7  o 12.98622  0.4833953     183.1449       17.66705  156.4005       17.65981      1.034146       0.9667906 
1 1 1 -7  15 8  o 15.52157  0.5797446     264.7226       25.32608  221.8528       25.28955      1.386953       1.159489  
1 1 1 -7  15 9  o 8.331556  0.3370194     78.65479       7.832066  60.93325       7.907110      1.070375       0.6740387 
1 1 1 -7  15 10 o 13.39637  0.5081654     192.5125       19.14449  169.9865       19.18355      0.8445833      1.016331  
1 1 1 -7  15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  15 12 o 10.08488  0.4201258     116.3645       11.78754  89.25765       11.94194      1.354137       0.8402516 
1 1 1 -7  15 13 o 15.28714  0.6035621     263.8482       25.89188  214.7595       25.93541      1.614702       1.207124  
1 1 1 -7  15 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  15 15 o 5.957442  0.4744898     39.51720       7.450135  33.24651       8.277154      0.5620881      0.9489796 
1 1 1 -7  15 16 o 7.283152  0.4758829     63.73546       9.257845  46.04615       9.936523      1.258626       0.9517659 
1 1 1 -7  15 17 o 8.325168  0.4888096     75.70933       10.93717  70.62621       11.92547      0.3520206      0.9776191 
1 1 1 -7  15 18 o 6.229736  0.5896167     49.21883       9.589859  36.51762       10.54067      1.129180       1.179233  
1 1 1 -7  15 19 o 7.152066  0.6272041     75.27177       11.53116  44.80487       12.35604      2.288581       1.254408  
1 1 1 -7  15 20 o 4.758546  0.8005715     41.11680       10.65615  24.56701       11.93667      1.778987       1.601143  
1 1 1 -7  15 21 o 2.856963  0.8538011     19.24541       11.48630  13.89466       12.69342      0.3662439      1.707602  
1 1 1 -7  17 1  o 1.772304  0.3297715     4.592727       1.730578  1.439111       1.900654      0.7237011      0.6595429 
1 1 1 -7  17 2  o 13.76366  0.5246758     207.6558       20.33895  174.1674       20.27630      1.221794       1.049352  
1 1 1 -7  17 3  o 20.75012  0.8451229     445.4484       46.20370  430.2769       53.32572      0.4269221      1.690246  
1 1 1 -7  17 4  o 3.230016  0.2659883     11.67362       2.322225  9.304695       2.428946      0.3772031      0.5319766 
1 1 1 -7  17 5  o 24.81467  0.9147175     707.2615       63.78380  553.0082       63.59181      3.121279       1.829435  
1 1 1 -7  17 6  o 14.31056  0.5351021     226.2520       21.54157  187.1399       21.51579      1.372683       1.070204  
1 1 1 -7  17 7  o 7.118361  0.3014950     54.20895       5.980222  47.52523       6.091819      0.4728867      0.6029900 
1 1 1 -7  17 8  o 20.26055  0.7679984     455.8146       43.80278  382.9015       43.71229      1.806718       1.535997  
1 1 1 -7  17 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  17 10 o 11.86795  0.4630080     146.5221       15.40535  138.6312       15.55128      0.3351029      0.9260160 
1 1 1 -7  17 11 o 6.281013  0.3729526     41.81295       6.280140  37.82080       6.877677      0.3299496      0.7459052 
1 1 1 -7  17 12 o 6.421789  0.4577514     58.36074       7.306530  27.25480       7.958133      2.488653       0.9155028 
1 1 1 -7  17 13 o 8.839926  0.4335341     94.62527       10.37167  64.96494       10.87150      1.703444       0.8670682 
1 1 1 -7  17 14 o 4.296390  0.5941494     26.01219       6.637460  12.16782       7.812977      1.621839       1.188299  
1 1 1 -7  17 15 o 1.960479  0.6061418     -10.71621      6.901617  4.967511       8.093384      -1.103584      1.212284  
1 1 1 -7  17 16 o 4.319174  0.6814041     25.94107       7.770777  15.01059       9.338273      1.269976       1.362808  
1 1 1 -7  17 17 o 6.152959  0.6092824     46.72506       9.734367  38.08070       10.90929      0.8261914      1.218565  
1 1 1 -7  17 18 o 5.667645  0.7142929     62.47095       10.59944  19.69704       11.77927      3.790104       1.428586  
1 1 1 -7  17 19 o 2.995191  0.7820669     24.57316       10.33423  -2.388735      11.66709      1.786374       1.564134  
1 1 1 -7  17 20 o 1.737715  0.6147692     -29.93967      11.49685  -0.2899464     15.88167      -0.7993613     1.229538  
1 1 1 -7  19 1  o 9.703823  0.3808512     102.6168       10.37284  86.75934       10.41174      0.8213738      0.7617024 
1 1 1 -7  19 2  o 27.59101  1.077696      821.7132       83.77692  756.5957       83.68177      1.183374       2.155392  
1 1 1 -7  19 3  o 4.671288  0.2654542     26.93550       3.436805  17.19102       3.405318      1.055268       0.5309085 
1 1 1 -7  19 4  o 6.630140  0.2968554     49.02258       5.502871  39.31453       5.535707      0.7373729      0.5937108 
1 1 1 -7  19 5  o 4.754589  0.3507271     30.48967       3.880610  15.39792       4.786883      1.645034       0.7014542 
1 1 1 -7  19 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  19 7  o 17.05323  0.6172645     316.1932       29.64641  275.9032       29.62656      1.185743       1.234529  
1 1 1 -7  19 8  o 9.835419  0.4634163     109.2748       12.57674  86.46587       12.95467      1.173466       0.9268327 
1 1 1 -7  19 9  o 18.69866  0.7182909     387.1048       37.79442  334.3646       37.78385      1.416446       1.436582  
1 1 1 -7  19 10 o 5.109530  0.4449894     31.63244       5.868081  21.12949       6.560548      1.078058       0.8899787 
1 1 1 -7  19 11 o 13.49005  0.5374082     203.1533       20.23332  170.3906       20.52066      1.226323       1.074816  
1 1 1 -7  19 12 o 8.513438  0.4388461     80.74149       10.12403  67.25024       10.83842      0.8162770      0.8776922 
1 1 1 -7  19 13 o 3.800322  0.6202918     23.74596       6.742188  5.717292       7.957205      2.041562       1.240584  
1 1 1 -7  19 14 o 5.399226  0.5813718     32.58268       8.059265  30.42217       9.270078      0.2738037      1.162744  
1 1 1 -7  19 15 o 2.975048  0.7510464     3.188240       7.724839  16.59131       9.438435      -1.324384      1.502093  
1 1 1 -7  19 16 o 5.428725  0.6982146     45.57625       9.820371  23.90938       11.11868      2.139476       1.396429  
1 1 1 -7  19 17 o 3.673115  0.8391203     24.68980       9.968557  13.36341       11.21445      1.103044       1.678241  
1 1 1 -7  19 18 o 1.978188  0.6835474     -26.65017      13.23478  2.709788       13.98375      -0.7430253     1.367095  
1 1 1 -7  19 19 o 1.976900  0.6801856     2.928786       11.72124  -14.82047      13.42543      0.3720419      1.360371  
1 1 1 -7  21 1  o 29.32264  1.255847      988.9593       96.42814  844.5400       111.2300      2.796613       2.511694  
1 1 1 -7  21 2  o 19.78529  0.7388391     431.9277       41.18686  371.5482       41.08384      1.531028       1.477678  
1 1 1 -7  21 3  o 15.37775  0.5646185     273.1524       24.38042  208.4606       24.29433      2.112656       1.129237  
1 1 1 -7  21 4  o 13.14098  1.128218      183.3585       41.22020  188.5940       40.92304      -0.2100061     2.256435  
1 1 1 -7  21 5  o 21.96731  0.8291069     558.2165       51.22752  445.5493       51.03550      2.573676       1.658214  
1 1 1 -7  21 6  o 15.02703  0.5781775     251.9026       24.31452  209.4927       24.52915      1.421326       1.156355  
1 1 1 -7  21 7  o 5.494282  0.3765656     28.89942       5.472327  32.84361       6.117410      -0.3501043     0.7531313 
1 1 1 -7  21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  21 9  f 9.591537  0.4237655     107.1327       11.17951  80.44494       11.53475      1.408256       0.8475310 
1 1 1 -7  21 10 o 8.464327  0.4307719     75.03550       9.795442  71.86293       10.75507      0.2108594      0.8615438 
1 1 1 -7  21 11 o 6.959542  0.4530284     49.75652       8.337317  51.11246       9.391389      -0.6461181E-01 0.9060568 
1 1 1 -7  21 12 f 7.354099  0.4761484     61.78331       9.267786  50.86407       10.31967      0.7970732      0.9522969 
1 1 1 -7  21 13 f 3.939873  0.7331086     18.61780       7.588862  17.68745       9.359426      0.1806848      1.466217  
1 1 1 -7  21 14 o 3.219280  0.7963207     11.21258       8.361309  14.14502       9.603044      -0.2928554     1.592641  
1 1 1 -7  21 15 o 2.413508  0.7493673     0.2127416      9.186243  6.118147       10.74026      -0.4536666     1.498735  
1 1 1 -7  21 16 o 2.508187  0.7532195     15.03711       10.19802  -8.222688      11.69571      1.143516       1.506439  
1 1 1 -7  21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  21 18 o 2.654287  0.8313516     3.406648       12.67031  32.02641       14.69363      -1.195168      1.662703  
1 1 1 -7  23 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  23 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  23 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  23 4  o 2.682651  0.5590397     6.472958       3.905631  9.053237       5.392589      -0.4403862     1.118079  
1 1 1 -7  23 5  o 15.02088  0.5980250     248.8747       27.28653  221.3410       23.60184      0.8357412      1.196050  
1 1 1 -7  23 6  f 14.20301  0.5594932     229.6187       22.31707  188.1400       22.32680      1.468047       1.118986  
1 1 1 -7  23 7  o 7.582411  0.4107218     60.34745       8.279647  57.34698       9.283445      0.2233707      0.8214436 
1 1 1 -7  23 8  o 4.319615  0.5423773     23.06415       5.922610  15.52907       7.123943      0.9431931      1.084755  
1 1 1 -7  23 9  o 2.929099  0.6836947     7.793363       6.011444  10.82466       7.271988      -0.4097393     1.367389  
1 1 1 -7  23 10 o 4.763197  0.5831211     26.41942       7.023615  22.57563       8.354070      0.4941345      1.166242  
1 1 1 -7  23 11 o 4.009717  0.6971650     20.80514       7.383391  15.84556       8.859270      0.6420546      1.394330  
1 1 1 -7  23 12 o 2.466533  0.7266932     4.430814       7.688846  3.919369       9.270806      -0.9189063E-01 1.453386  
1 1 1 -7  23 13 o 4.934402  0.7157577     39.08735       9.531269  20.70008       10.50344      1.921522       1.431515  
1 1 1 -7  23 14 o 2.824692  0.8171806     8.198176       9.816783  13.03123       11.05302      -0.3548649     1.634361  
1 1 1 -7  23 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  23 16 o 2.479943  0.7965553     16.86482       12.14467  0.9188483      13.69613      0.6466152      1.593111  
1 1 1 -7  25 1  o 11.81672  0.5230369     155.2679       18.43214  136.9819       16.45254      0.7177687      1.046074  
1 1 1 -7  25 2  o 4.954676  0.4724123     19.51614       5.370999  33.32800       7.662167      -1.325613      0.9448247 
1 1 1 -7  25 3  o 3.117418  0.5341789     8.531012       4.321449  12.71482       5.053014      -0.6179680     1.068358  
1 1 1 -7  25 4  o 7.593444  0.3768238     60.04977       7.750330  58.43550       8.366957      0.1238004      0.7536475 
1 1 1 -7  25 5  o 8.496731  0.4115540     86.24580       9.610945  63.01612       9.876596      1.387730       0.8231080 
1 1 1 -7  25 6  o 7.881802  0.4259580     68.37996       9.095965  60.55761       9.762303      0.5254404      0.8519160 
1 1 1 -7  25 7  o 3.017705  0.7180417     11.04472       6.126496  6.476410       10.11564      0.2760665      1.436083  
1 1 1 -7  25 8  o 9.038940  0.4584025     87.44356       11.23404  86.15199       12.09526      0.1144260      0.9168050 
1 1 1 -7  25 9  o 3.714912  0.7012160     19.96323       7.110566  11.30976       9.252747      1.032252       1.402432  
1 1 1 -7  25 10 o 1.913316  0.6202844     -8.865797      7.395138  2.823756       9.019662      -0.7818090     1.240569  
1 1 1 -7  25 11 o 2.062036  0.6639757     -6.183778      8.041222  4.624531       9.918384      -0.7303329     1.327951  
1 1 1 -7  25 12 o 1.957873  0.6564738     -7.129059      8.918378  -1.081352      10.77139      -0.3994353     1.312948  
1 1 1 -7  25 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  25 14 o 3.234775  1.064750      42.83691       21.40946  45.19509       27.85328      0.3014477      2.129500  
1 1 1 -7  27 1  o 3.069525  0.6856534     9.782538       6.357582  12.00528       7.002625      -0.2734304     1.371307  
1 1 1 -7  27 2  o 4.941035  0.4508945     24.65117       5.955986  27.79988       6.353714      -0.3004316     0.9017891 
1 1 1 -7  27 3  o 3.048609  0.5134746     15.50569       4.425910  2.898193       5.884511      1.660350       1.026949  
1 1 1 -7  27 4  o 2.878252  0.6043609     5.838232       4.706844  14.03058       6.245343      -1.108315      1.208722  
1 1 1 -7  27 5  o 6.137945  0.7085909     64.09425       13.43663  28.19693       10.07555      2.657073       1.417182  
1 1 1 -7  27 6  o 7.142071  0.8937832     72.39594       16.36803  61.32251       18.86515      1.137175       1.787566  
1 1 1 -7  27 7  o 4.630297  1.066184      30.25034       14.63884  41.91556       17.69821      -0.5992090     2.132368  
1 1 1 -7  27 8  o 2.566246  0.8535122     -0.2819828     14.15218  -0.9952648     17.95145      -0.1607241     1.707024  
1 1 1 -7  27 9  o 3.120008  0.9769450     23.17377       16.16322  6.363578       20.22807      0.6513378      1.953890  
1 1 1 -7  27 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 5  o 3.199387  1.568993      ?              ?         31.46437       34.21166      ?              ?         
1 1 1 -7  29 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -7  29 8  o 1.941923  0.6597372     -2.799874      10.17621  -2.597855      10.95435      -0.5307777E-01 1.319474  
1 1 1 -6  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  0  5  o 65.97388  5.344912      4692.402       694.2571  4692.402       694.2571      ?              ?         
1 1 1 -6  0  6  o 12.96489  1.020227      171.6180       26.06665  171.6180       26.06665      ?              ?         
1 1 1 -6  0  7  o 8.765832  0.4789311     77.58086       8.338778  77.58086       8.338778      ?              ?         
1 1 1 -6  0  8  o 8.529423  0.4728553     73.48942       8.009274  73.48942       8.009274      ?              ?         
1 1 1 -6  0  9  o 3.709551  0.2705635     13.98513       1.982272  13.98513       1.982272      ?              ?         
1 1 1 -6  0  10 o 2.021018  0.4464484     4.638317       1.578272  4.638317       1.578272      ?              ?         
1 1 1 -6  0  11 o 1.158961  0.5946209     1.969440       1.751040  1.969440       1.751040      ?              ?         
1 1 1 -6  0  12 o 30.95006  1.714481      984.1662       105.3766  984.1662       105.3766      ?              ?         
1 1 1 -6  0  13 o 11.94235  0.6675854     144.3068       15.83029  144.3068       15.83029      ?              ?         
1 1 1 -6  0  14 o 11.95997  0.6596936     144.7057       15.66931  144.7057       15.66931      ?              ?         
1 1 1 -6  0  15 o 26.84376  1.475886      738.2869       78.68530  738.2869       78.68530      ?              ?         
1 1 1 -6  0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  0  17 o 2.884178  0.9710942     10.80365       5.004135  10.80365       5.004135      ?              ?         
1 1 1 -6  0  18 o 5.303644  0.6403514     29.52376       6.529707  29.52376       6.529707      ?              ?         
1 1 1 -6  0  19 o 3.678102  0.9992460     16.45384       6.352935  16.45384       6.352935      ?              ?         
1 1 1 -6  0  20 o 11.61620  0.7243072     139.3379       16.67572  139.3379       16.67572      ?              ?         
1 1 1 -6  0  21 o 10.52971  0.7065994     115.7519       14.72441  115.7519       14.72441      ?              ?         
1 1 1 -6  0  22 f 1.534837  1.008272      0.7346047E-01  7.801272  0.7346047E-01  7.801272      ?              ?         
1 1 1 -6  0  23 o 3.668145  1.327898      20.84910       8.940672  20.84910       8.940672      ?              ?         
1 1 1 -6  0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  0  25 o 1.931312  1.230806      9.801089       10.49456  9.801089       10.49456      ?              ?         
1 1 1 -6  2  1  o 24.83682  0.9357722     664.1684       65.44267  578.2648       65.38879      1.736501       1.871544  
1 1 1 -6  2  2  o 20.57910  0.8151354     455.4794       50.94334  401.5131       44.04073      1.290490       1.630271  
1 1 1 -6  2  3  o 25.57591  1.637615      713.6064       143.3673  648.6445       101.3553      1.017588       3.275231  
1 1 1 -6  2  4  o 39.37305  3.138270      1617.838       245.0820  ?              ?             ?              ?         
1 1 1 -6  2  5  o 45.57676  2.445935      2557.916       310.3416  1828.526       309.5850      8.079073       4.891870  
1 1 1 -6  2  6  o 45.54720  2.540053      2561.833       322.3885  1877.539       321.4207      7.584976       5.080106  
1 1 1 -6  2  7  o 8.331329  0.4601555     81.66757       10.67116  58.17538       10.65407      1.425211       0.9203109 
1 1 1 -6  2  8  o 20.67154  1.142132      475.5811       66.15560  402.0407       66.05503      1.793511       2.284264  
1 1 1 -6  2  9  o 8.280002  0.4606088     72.29514       10.66995  66.19374       10.71605      0.3716062      0.9212176 
1 1 1 -6  2  10 o 27.91340  1.625179      896.7256       127.0167  785.6718       126.9237      2.005639       3.250358  
1 1 1 -6  2  11 o 12.10487  0.6738294     152.0555       22.85694  146.4496       22.90522      0.2335913      1.347659  
1 1 1 -6  2  12 o 23.97588  1.362171      619.4753       91.55574  589.0638       91.58836      0.6391594      2.724342  
1 1 1 -6  2  13 o 19.00475  1.066910      386.2621       56.82870  358.0858       56.86739      0.7471339      2.133819  
1 1 1 -6  2  14 o 10.67420  0.5990010     112.7870       17.82297  118.4188       18.04313      -0.2636135     1.198002  
1 1 1 -6  2  15 o 27.38084  1.156271      769.1588       96.20217  790.8574       83.41212      -0.5681761     2.312543  
1 1 1 -6  2  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  2  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  2  18 o 9.195437  0.6242765     99.78727       15.89010  74.55850       15.96051      1.394961       1.248553  
1 1 1 -6  2  19 o 5.753185  0.4556982     32.57818       7.230021  35.80467       7.332833      -0.2816500     0.9113963 
1 1 1 -6  2  20 o 11.35558  0.5073254     139.3888       16.21960  130.3379       16.18918      0.3993674      1.014651  
1 1 1 -6  2  21 o 6.355114  0.4996807     45.24940       8.840051  41.39109       8.803339      0.3059865      0.9993615 
1 1 1 -6  2  22 o 7.061890  0.5189235     59.37266       10.17977  51.44617       10.20193      0.5711914      1.037847  
1 1 1 -6  2  23 o 1.913623  0.6325310     -0.1399906     8.516623  -6.196222      8.645250      0.2592038      1.265062  
1 1 1 -6  2  24 o 2.694411  0.8320280     14.38204       10.27609  10.90543       15.67535      0.2385940      1.664056  
1 1 1 -6  2  25 o 1.951218  0.6596482     -3.067993      10.36727  9.776470       10.64342      -0.4474208     1.319296  
1 1 1 -6  4  1  o 19.81451  0.7076455     422.1736       39.50479  366.7915       39.45356      1.402769       1.415291  
1 1 1 -6  4  2  o 34.16524  1.168871      1318.655       112.3032  1044.137       112.0290      4.033120       2.337742  
1 1 1 -6  4  3  o 26.50442  0.9812019     775.0126       73.17427  642.5274       73.07411      2.510234       1.962404  
1 1 1 -6  4  4  o 54.29362  2.010939      3265.449       307.5639  2840.668       307.0635      3.924802       4.021878  
1 1 1 -6  4  5  f 29.58549  1.102351      971.6309       91.75098  802.6118       91.62299      2.868999       2.204702  
1 1 1 -6  4  6  o 20.49278  0.7539751     452.4744       43.52534  394.2321       43.46780      1.426540       1.507950  
1 1 1 -6  4  7  o 20.82790  0.7945408     455.4293       46.62804  422.4315       46.59645      0.7947907      1.589082  
1 1 1 -6  4  8  o 1.439849  0.2556807     0.4205360      1.147324  3.653478       1.218753      -0.9157214     0.5113614 
1 1 1 -6  4  9  o 15.29670  0.5889888     250.9482       25.37719  222.2226       25.34447      0.9426363      1.177978  
1 1 1 -6  4  10 o 22.50394  0.8754025     535.3549       55.50021  502.6892       55.47248      0.7280567      1.750805  
1 1 1 -6  4  11 o 34.78339  1.391235      1329.555       136.2939  1222.781       136.1751      1.539318       2.782470  
1 1 1 -6  4  12 o 29.88007  1.169584      959.9417       98.45456  887.3282       98.36528      1.218712       2.339168  
1 1 1 -6  4  13 o 14.84254  0.5681082     241.5147       23.73734  202.9461       23.68750      1.305007       1.136216  
1 1 1 -6  4  14 o 9.625625  0.4523027     95.93761       10.57153  88.95007       15.02356      0.4030048      0.9046053 
1 1 1 -6  4  15 o 13.27528  0.7509467     181.3976       27.85587  179.4378       28.06771      0.7673329E-01  1.501893  
1 1 1 -6  4  16 o 2.418585  0.6902105     -2.102680      8.353410  5.429284       6.878780      -0.4129550     1.380421  
1 1 1 -6  4  17 o 23.46977  1.428985      612.6102       93.77831  619.1560       94.09317      -0.1311646     2.857970  
1 1 1 -6  4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  4  19 o 17.62863  1.125658      358.8275       55.34791  358.1370       55.69871      0.3702484E-01  2.251316  
1 1 1 -6  4  20 o 5.665546  0.7201188     43.93649       10.90338  26.33938       11.39710      1.615981       1.440238  
1 1 1 -6  4  21 o 2.642405  0.7903627     5.622165       10.03346  1.886586       10.43988      0.2063604      1.580725  
1 1 1 -6  4  22 o 4.829943  0.9059868     31.80253       12.40564  33.52720       12.75670      -0.1210911     1.811974  
1 1 1 -6  4  23 o 2.318757  0.7567099     9.573351       12.25924  -8.421949      12.21409      0.7105946      1.513420  
1 1 1 -6  4  24 o 3.829707  0.8764245     22.63686       14.60910  35.51942       10.84377      -1.555179      1.752849  
1 1 1 -6  4  25 o 1.958499  0.6613396     14.40615       10.99446  -6.320239      11.04061      0.6702794      1.322679  
1 1 1 -6  6  1  o 25.06374  0.9260295     675.3076       65.36589  591.6048       65.31897      1.676355       1.852059  
1 1 1 -6  6  2  o 38.77703  1.460328      1605.912       159.5816  1461.543       159.3833      1.867418       2.920656  
1 1 1 -6  6  3  o 37.84665  1.418264      1576.248       151.1091  1345.656       150.9288      3.058806       2.836528  
1 1 1 -6  6  4  o 41.76710  1.588731      1872.936       186.9600  1713.774       186.8003      1.911404       3.177462  
1 1 1 -6  6  5  o 22.27202  0.8373225     540.4160       52.50021  461.5001       52.43873      1.779143       1.674645  
1 1 1 -6  6  6  o 14.78442  0.5627491     235.4157       23.42509  204.4768       23.40372      1.050758       1.125498  
1 1 1 -6  6  7  o 9.825867  0.3765472     102.1506       10.41971  91.83725       10.41523      0.5268704      0.7530945 
1 1 1 -6  6  8  o 24.40046  0.9465237     639.4618       65.05678  581.2247       65.00121      1.197512       1.893047  
1 1 1 -6  6  9  o 9.236686  0.3603399     90.70562       9.370866  80.85890       9.366886      0.5352421      0.7206798 
1 1 1 -6  6  10 o 15.47975  0.5976156     255.7770       26.05468  229.1530       26.03328      0.8632994      1.195231  
1 1 1 -6  6  11 o 21.62173  0.8407800     499.7142       51.20949  453.6349       51.15936      1.069362       1.681560  
1 1 1 -6  6  12 o 29.58173  1.159523      940.9017       96.62568  866.1476       96.54211      1.267518       2.319046  
1 1 1 -6  6  13 o 6.795324  0.2995707     52.23424       5.674969  40.51170       5.728388      0.8689227      0.5991414 
1 1 1 -6  6  14 o 6.849671  0.3144882     51.71863       5.989779  42.48271       6.097946      0.6798669      0.6289764 
1 1 1 -6  6  15 o 5.671358  0.3272364     30.77244       5.100139  34.22162       5.301773      -0.3039972     0.6544728 
1 1 1 -6  6  16 o 9.228966  0.4011694     93.96594       10.39308  77.92700       10.39941      0.8742486      0.8023388 
1 1 1 -6  6  17 o 16.77934  0.6596947     310.7678       31.16874  268.2589       31.10753      1.271613       1.319389  
1 1 1 -6  6  18 o 21.92155  0.9036497     542.8113       55.76449  488.9287       55.70873      1.232958       1.807299  
1 1 1 -6  6  19 o 12.88580  0.5493488     189.9817       19.85948  156.0750       19.88406      1.324252       1.098698  
1 1 1 -6  6  20 o 4.524414  0.6032066     34.64985       7.431965  10.48249       7.864778      2.616186       1.206413  
1 1 1 -6  6  21 o 2.495104  0.6930580     9.987167       7.513517  -0.9562705     7.964565      0.8684337      1.386116  
1 1 1 -6  6  22 o 3.875256  0.7103527     28.37125       8.552057  9.608594       8.877740      1.992661       1.420705  
1 1 1 -6  6  23 o 3.454374  1.580410      36.67559       24.49936  ?              ?             ?              ?         
1 1 1 -6  6  24 o 2.354778  0.7561135     13.60200       10.15195  0.4310920      13.83782      0.5119984      1.512227  
1 1 1 -6  8  1  f 41.92467  1.595443      1956.022       188.2427  1660.529       188.0344      3.538817       3.190886  
1 1 1 -6  8  2  o 18.32716  0.6888000     336.2131       35.57739  341.0396       35.57537      -0.1320660     1.377600  
1 1 1 -6  8  3  o 14.51618  0.5301040     231.2747       21.65699  192.2794       21.62540      1.348930       1.060208  
1 1 1 -6  8  4  o 33.29414  1.271558      1191.224       119.2546  1081.029       119.1736      1.660673       2.543116  
1 1 1 -6  8  5  o 2.952497  0.1679621     10.77275       1.340986  6.802712       1.385551      0.6818704      0.3359243 
1 1 1 -6  8  6  f 24.62595  0.9510931     658.3068       65.94848  580.8722       65.89590      1.578494       1.902186  
1 1 1 -6  8  7  o 5.905535  0.2326452     37.13379       3.859206  32.82280       3.874026      0.3667317      0.4652905 
1 1 1 -6  8  8  o 11.85253  0.4567371     150.1408       15.24267  132.9684       15.23396      0.7274026      0.9134742 
1 1 1 -6  8  9  o 21.18156  0.8201924     488.4613       48.92010  427.5347       48.86045      1.443930       1.640385  
1 1 1 -6  8  10 o 19.40448  0.7490579     408.4160       40.93387  356.6465       40.87386      1.339300       1.498116  
1 1 1 -6  8  11 f 13.66155  0.5290099     198.1194       20.35028  178.2193       20.34376      0.7312348      1.058020  
1 1 1 -6  8  12 o 23.66465  0.9022264     607.8799       60.14016  534.2957       60.05311      1.560559       1.804453  
1 1 1 -6  8  13 o 19.25073  0.7369376     393.9127       39.96377  358.8010       39.93634      0.9152165      1.473875  
1 1 1 -6  8  14 o 2.741962  0.4653743     5.711174       3.458259  9.911607       3.753391      -0.7235715     0.9307486 
1 1 1 -6  8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  8  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  8  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  8  18 o 18.12876  0.7526102     392.0653       38.30819  306.3976       38.16019      2.372498       1.505220  
1 1 1 -6  8  19 o 6.279901  0.4799117     45.09996       8.148672  36.84211       8.579390      0.6862399      0.9598235 
1 1 1 -6  8  20 o 6.037724  0.5300540     44.66650       8.539526  33.10315       9.035729      1.013174       1.060108  
1 1 1 -6  8  21 o 3.373405  0.7658722     11.39062       8.043635  17.36968       8.707045      -0.6267895     1.531744  
1 1 1 -6  8  22 o 2.326863  0.7179242     3.357886       8.580030  4.090663       9.254406      -0.8961198E-01 1.435848  
1 1 1 -6  8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  8  24 o 2.388774  0.7628050     12.17383       10.77581  11.93147       11.16353      0.2127274E-01  1.525610  
1 1 1 -6  10 1  o 16.11357  0.6382983     291.5919       31.14091  235.1309       26.92173      1.732877       1.276597  
1 1 1 -6  10 2  o 8.197106  0.3052574     71.13659       7.046747  63.67970       7.046189      0.4565960      0.6105149 
1 1 1 -6  10 3  o 15.02043  0.5693485     239.9900       24.09012  214.9333       24.06864      0.8372541      1.138697  
1 1 1 -6  10 4  o 27.92395  1.068499      841.0391       84.04134  762.1215       83.98940      1.418081       2.136998  
1 1 1 -6  10 5  o 11.02443  0.4132083     131.5651       12.82531  112.9342       12.81198      0.8485544      0.8264166 
1 1 1 -6  10 6  o 7.613421  0.2926489     64.64698       6.260333  51.79937       6.252841      0.8479690      0.5852978 
1 1 1 -6  10 7  o 6.375112  0.2570556     44.15796       4.594385  37.39357       4.620312      0.5334715      0.5141113 
1 1 1 -6  10 8  o 17.23378  0.6606587     319.0860       32.06667  283.1128       32.03547      1.047758       1.321317  
1 1 1 -6  10 9  o 17.47909  0.6729484     327.2817       33.12809  291.7289       33.09818      1.020974       1.345897  
1 1 1 -6  10 10 o 22.27286  0.8616894     536.7538       54.05459  473.8883       53.98247      1.416689       1.723379  
1 1 1 -6  10 11 o 3.329415  0.2969441     12.37292       2.611190  9.882672       2.848819      0.3896749      0.5938882 
1 1 1 -6  10 12 o 13.63815  0.5353341     211.1915       20.49115  164.4008       20.45869      1.724514       1.070668  
1 1 1 -6  10 13 o 23.51075  0.9047114     610.4477       59.90635  523.8172       59.76961      1.849236       1.809423  
1 1 1 -6  10 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  10 15 o 18.87100  0.7455213     408.1860       39.53836  324.9029       39.42537      2.216837       1.491043  
1 1 1 -6  10 16 o 11.85944  0.4983766     170.8941       16.43970  116.7884       16.43721      2.296372       0.9967533 
1 1 1 -6  10 17 o 4.965280  0.5000274     31.02547       6.440553  19.35563       7.029337      1.236515       1.000055  
1 1 1 -6  10 18 o 12.25184  0.5417380     183.3114       18.47281  130.3929       18.51036      2.176532       1.083476  
1 1 1 -6  10 19 o 6.450416  0.4956567     45.35743       8.666675  42.71288       9.137213      0.2292484      0.9913135 
1 1 1 -6  10 20 o 4.824429  0.6474778     25.32595       8.208009  28.48608       8.830944      -0.2803689     1.294956  
1 1 1 -6  10 21 o 3.136186  0.7824673     13.95561       8.381660  11.64602       9.035263      0.2347437      1.564935  
1 1 1 -6  10 22 o 3.314908  0.8292014     16.25503       9.378512  19.07782       10.07442      -0.2096052     1.658403  
1 1 1 -6  10 23 o 3.734494  0.8565248     19.08520       10.61543  36.02847       11.29182      -1.405382      1.713050  
1 1 1 -6  12 1  f 7.362708  0.3036807     57.55595       5.872132  50.71185       6.792616      0.4749683      0.6073615 
1 1 1 -6  12 2  f 1.071543  0.2680181     -0.3487233     1.231946  1.712584       1.066346      -0.4471236     0.5360361 
1 1 1 -6  12 3  f 8.500024  0.3491302     71.91788       7.806705  73.83160       9.042896      -0.1041422     0.6982604 
1 1 1 -6  12 4  o 19.58035  0.7478627     415.3092       41.23651  365.0678       41.19686      1.288028       1.495725  
1 1 1 -6  12 5  o 10.91413  0.4158027     132.1013       12.76376  107.7715       12.73988      1.119853       0.8316054 
1 1 1 -6  12 6  o 6.812605  0.2709589     50.54564       5.178012  42.59597       5.201622      0.5865890      0.5419179 
1 1 1 -6  12 7  o 2.123104  0.2859618     4.719369       1.576707  4.599605       1.749246      0.3419425E-01  0.5719236 
1 1 1 -6  12 8  o 11.31882  0.4347161     134.7630       13.85022  123.1024       13.86288      0.5171396      0.8694322 
1 1 1 -6  12 9  o 19.06696  0.7282782     386.0724       39.12067  351.0027       39.08656      0.9229103      1.456556  
1 1 1 -6  12 10 o 5.467957  0.2705107     32.10618       4.074122  27.84555       4.232837      0.3940364      0.5410215 
1 1 1 -6  12 11 o 15.40131  0.5973262     259.5279       25.88454  219.8828       25.86079      1.292984       1.194652  
1 1 1 -6  12 12 f 19.75632  0.7580116     445.9913       42.09029  350.2137       41.94384      2.435015       1.516023  
1 1 1 -6  12 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  12 14 o 9.606317  0.4140081     102.3482       11.08212  83.95533       11.24715      0.9651374      0.8280161 
1 1 1 -6  12 15 o 11.66210  0.4926157     161.8257       15.98643  115.5944       16.05943      1.996427       0.9852314 
1 1 1 -6  12 16 o 8.453258  0.4726078     75.53577       10.10103  69.67239       12.74814      0.4039516      0.9452156 
1 1 1 -6  12 17 o 5.507818  0.5008970     32.66040       7.275767  30.57957       8.012938      0.2188325      1.001794  
1 1 1 -6  12 18 o 5.773137  0.5243182     34.31546       8.024426  36.85044       8.743367      -0.1899981     1.048636  
1 1 1 -6  12 19 o 4.592669  0.6635527     27.58738       8.117779  19.91738       8.729740      0.8786340      1.327105  
1 1 1 -6  12 20 o 4.693885  0.7142493     27.71442       8.845866  26.55708       9.646237      0.2071259      1.428499  
1 1 1 -6  12 21 o 2.932338  0.7360169     21.42393       9.090492  -1.531522      9.789455      1.762019       1.472034  
1 1 1 -6  12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  14 1  o 20.32281  0.7776907     444.5651       44.50907  397.0431       44.48264      1.173693       1.555381  
1 1 1 -6  14 2  o 6.585285  0.2795718     44.64879       5.603786  42.81429       4.843297      0.1339551      0.5591437 
1 1 1 -6  14 3  o 3.021584  0.1987132     11.49521       1.594383  6.929070       1.676636      0.7709405      0.3974263 
1 1 1 -6  14 4  o 28.71405  1.072044      881.7181       86.75642  820.2445       86.68502      1.073303       2.144088  
1 1 1 -6  14 5  o 7.560754  0.2940197     65.05258       6.239360  49.86238       6.222515      1.009839       0.5880393 
1 1 1 -6  14 6  f 6.762151  0.2661545     51.48314       5.042696  40.33307       5.054182      0.8290393      0.5323090 
1 1 1 -6  14 7  o 7.356174  0.2883048     58.40564       5.944498  50.15372       5.987401      0.5638599      0.5766097 
1 1 1 -6  14 8  o 15.03028  0.5751962     240.2220       24.34279  215.7123       24.34057      0.8185919      1.150392  
1 1 1 -6  14 9  o 14.03449  0.5381479     210.1630       21.26505  187.1641       21.25954      0.8227016      1.076296  
1 1 1 -6  14 10 o 18.09658  0.6877509     354.3403       35.04962  310.1558       35.01157      1.225661       1.375502  
1 1 1 -6  14 11 o 5.525963  0.3177665     36.30610       4.729068  25.12102       4.996344      1.028962       0.6355329 
1 1 1 -6  14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  14 13 f 9.429999  0.5002728     119.3433       12.82715  64.16003       12.74474      2.957186       1.000546  
1 1 1 -6  14 14 o 5.286845  0.4347405     33.30310       6.016902  23.15605       6.606010      0.9998985      0.8694810 
1 1 1 -6  14 15 o 14.59226  0.5992866     253.8413       24.38043  186.8743       24.48681      2.311219       1.198573  
1 1 1 -6  14 16 o 3.419282  0.6814967     12.85976       6.487312  12.54719       7.356473      0.3548692E-01  1.362993  
1 1 1 -6  14 17 o 2.342001  0.6821346     4.695776       6.971783  -0.1068609     7.907188      0.2738951      1.364269  
1 1 1 -6  14 18 o 6.808752  0.5565387     62.83581       9.796469  37.28518       10.54308      1.974424       1.113077  
1 1 1 -6  14 19 o 2.424170  0.7163042     8.329506       8.215620  -2.303851      9.201266      0.6449705      1.432608  
1 1 1 -6  14 20 o 7.672924  0.5799917     73.24293       11.96381  66.25041       12.81551      0.5667446      1.159983  
1 1 1 -6  14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  14 22 o 2.225847  0.7353454     6.047454       10.99477  7.503593       11.94740      -0.6863150E-01 1.470691  
1 1 1 -6  16 1  o 14.27003  0.5483054     223.4256       22.01661  187.3062       21.98561      1.271356       1.096611  
1 1 1 -6  16 2  o 33.75293  1.401579      1245.933       124.4432  1128.960       143.5857      1.984988       2.803158  
1 1 1 -6  16 3  o 8.605649  0.3506002     82.40659       9.134057  67.25102       7.900283      0.8751099      0.7012005 
1 1 1 -6  16 4  o 31.54581  1.316896      1110.145       108.9455  949.4585       125.6014      2.760520       2.633791  
1 1 1 -6  16 5  o 10.88647  0.4389623     135.3353       14.46188  104.6292       12.48285      1.402320       0.8779247 
1 1 1 -6  16 6  o 26.16936  0.9900547     741.1033       72.97617  661.7725       72.92052      1.521264       1.980109  
1 1 1 -6  16 7  o 24.08032  0.9210480     625.9822       62.48201  560.1613       62.40409      1.371480       1.842096  
1 1 1 -6  16 8  o 12.91573  0.4957443     182.9103       18.00614  153.4990       18.00329      1.143962       0.9914885 
1 1 1 -6  16 9  o 26.29368  1.018092      735.1924       75.42283  697.0512       75.39050      0.7273472      2.036184  
1 1 1 -6  16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  16 11 o 3.471873  0.4674872     13.55406       4.135913  11.06102       4.854940      0.3808421      0.9349744 
1 1 1 -6  16 12 o 13.58412  0.5458853     213.9001       20.72870  162.4025       20.79736      1.907553       1.091771  
1 1 1 -6  16 13 o 5.375092  0.5889307     35.53594       7.765285  22.78625       9.779541      1.286563       1.177861  
1 1 1 -6  16 14 o 7.541373  0.4677871     79.26712       8.962628  39.21713       9.633830      2.714188       0.9355742 
1 1 1 -6  16 15 o 12.78384  0.5644456     204.0171       19.95795  138.6333       20.09737      2.580573       1.128891  
1 1 1 -6  16 16 o 3.791943  0.6554220     23.85464       7.326335  6.211314       8.307570      1.952716       1.310844  
1 1 1 -6  16 17 o 4.974934  0.6472009     35.20900       8.432547  19.53554       9.349227      1.658466       1.294402  
1 1 1 -6  16 18 o 9.417828  0.5563544     117.2690       14.14510  80.86423       14.73525      2.006700       1.112709  
1 1 1 -6  16 19 o 3.364982  0.8354810     16.92511       9.381438  15.94194       10.45048      0.1393209      1.670962  
1 1 1 -6  16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  16 21 o 1.877416  0.6510772     -4.277102      11.14639  -7.358458      12.54105      0.3888695E-02  1.302154  
1 1 1 -6  18 1  o 15.86442  0.5971630     284.5779       26.61725  224.2741       26.56098      1.909635       1.194326  
1 1 1 -6  18 2  o 12.15401  0.4364223     156.6251       14.94697  140.6170       14.93642      0.6608445      0.8728447 
1 1 1 -6  18 3  o 25.06801  1.027422      689.9915       78.19873  610.3469       67.64088      1.481223       2.054843  
1 1 1 -6  18 4  o 9.671041  0.3725211     103.6668       10.11324  84.39695       10.12969      1.001386       0.7450423 
1 1 1 -6  18 5  o 14.40812  0.5400284     230.1999       21.87193  189.1113       21.86790      1.432567       1.080057  
1 1 1 -6  18 6  o 14.67091  0.5451183     230.4249       22.52126  204.6699       22.51653      0.8811710      1.090237  
1 1 1 -6  18 7  o 12.17132  0.4623765     160.0012       15.82431  138.8954       15.85145      0.8710412      0.9247531 
1 1 1 -6  18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  18 9  o 6.905507  0.3476934     56.17407       6.518806  39.97331       6.832685      1.188661       0.6953868 
1 1 1 -6  18 10 o 19.15710  0.8049430     419.0144       40.26305  338.6045       46.36073      2.223846       1.609886  
1 1 1 -6  18 11 o 12.70957  0.5049924     182.8128       17.93253  146.3100       18.09348      1.446384       1.009985  
1 1 1 -6  18 12 o 12.18719  1.675107      ?              ?         168.2263       39.75070      ?              ?         
1 1 1 -6  18 13 o 2.313149  0.6537519     4.018980       5.789604  1.655553       7.420585      0.1185583E-01  1.307504  
1 1 1 -6  18 14 o 6.187136  0.5062988     46.37721       8.203182  32.92004       9.013803      1.148812       1.012598  
1 1 1 -6  18 15 o 3.246544  0.6631262     19.78258       7.318220  -0.4667063     8.427911      1.974473       1.326252  
1 1 1 -6  18 16 o 2.112849  0.6442663     -12.36534      7.945737  8.212502       9.062127      -1.288447      1.288533  
1 1 1 -6  18 17 o 2.886445  0.6905107     20.50289       8.667519  -10.02109      9.826748      2.149304       1.381021  
1 1 1 -6  18 18 o 3.723678  0.8241885     26.24155       9.812460  13.52995       10.98996      1.265354       1.648377  
1 1 1 -6  18 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  18 20 o 1.915510  0.6629364     -0.6058736     11.52404  -9.562499      12.80638      0.1633713      1.325873  
1 1 1 -6  20 1  o 9.281751  0.3683742     100.9743       9.515363  72.89722       9.580558      1.522010       0.7367484 
1 1 1 -6  20 2  o 8.262765  0.3138076     73.46497       7.278576  63.72608       7.315781      0.5922132      0.6276153 
1 1 1 -6  20 3  o 5.046497  0.3084490     32.01340       3.881639  19.29316       4.544654      1.292436       0.6168981 
1 1 1 -6  20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  20 5  o 8.333721  0.3479801     78.14936       8.054246  61.67797       8.208081      0.9959294      0.6959601 
1 1 1 -6  20 6  o 12.93774  0.4772511     182.7258       17.36400  156.0468       17.38512      1.035707       0.9545022 
1 1 1 -6  20 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  20 8  o 32.26464  1.275700      1208.979       115.9794  1082.422       115.6954      1.961660       2.551400  
1 1 1 -6  20 9  f 2.856498  0.7810926     6.579657       10.89697  5.488788       7.592487      0.4060174      1.562185  
1 1 1 -6  20 10 o 2.929167  0.6244739     9.187513       5.173032  8.621824       6.186653      0.3912174E-01  1.248948  
1 1 1 -6  20 11 o 8.086805  0.4297965     74.15993       9.372331  59.13694       10.08461      0.9549664      0.8595930 
1 1 1 -6  20 12 o 3.446136  0.6649580     7.675079       6.251302  18.77267       7.566543      -1.368117      1.329916  
1 1 1 -6  20 13 o 8.674375  0.4845648     91.79279       11.24611  65.42500       12.05615      1.570244       0.9691295 
1 1 1 -6  20 14 o 8.133920  0.5049092     74.41961       10.98811  66.32843       12.04624      0.5575773      1.009818  
1 1 1 -6  20 15 o 2.260691  0.7068347     2.194841       8.355025  -2.255140      9.671844      0.1232262      1.413669  
1 1 1 -6  20 16 o 5.389811  0.7208164     39.17566       10.03885  32.78532       11.40395      0.7767765      1.441633  
1 1 1 -6  20 17 o 2.815667  0.8047050     15.65181       9.862534  4.934484       11.12129      0.7196969      1.609410  
1 1 1 -6  20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  20 19 o 2.022234  0.6968666     -2.028362      12.11389  2.024432       13.65900      -0.1549059     1.393733  
1 1 1 -6  22 1  o 20.17949  0.8419363     465.4384       51.47479  387.2755       44.50392      1.816418       1.683873  
1 1 1 -6  22 2  o 6.308228  0.3385330     43.30405       5.372682  36.07832       6.770216      0.6004587      0.6770659 
1 1 1 -6  22 3  o 29.93445  1.174319      1038.188       99.01138  902.0906       98.76078      2.277382       2.348638  
1 1 1 -6  22 4  o 12.38589  0.4615561     158.9134       16.02156  152.7268       16.20014      0.2527589      0.9231123 
1 1 1 -6  22 5  o 6.881245  0.3393578     50.00004       6.402527  45.60826       6.728029      0.3257530      0.6787156 
1 1 1 -6  22 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  22 7  o 12.94199  0.5058367     183.5167       18.33624  159.3908       18.50221      0.9395137      1.011673  
1 1 1 -6  22 8  o 2.321601  0.6046903     4.778921       4.720343  4.205747       5.892664      -0.6000196E-01 1.209381  
1 1 1 -6  22 9  o 2.109371  0.5871388     -2.700752      5.162547  7.420631       6.424840      -1.131196      1.174278  
1 1 1 -6  22 10 o 5.600991  0.4938215     26.52194       6.760352  40.34724       8.571495      -1.182545      0.9876431 
1 1 1 -6  22 11 o 7.492314  0.4782079     68.85471       9.466534  48.32088       10.31851      1.428560       0.9564159 
1 1 1 -6  22 12 o 5.442622  0.5878412     39.49318       8.142023  24.36422       9.238530      1.512317       1.175682  
1 1 1 -6  22 13 o 2.393354  0.7098993     6.786931       7.918413  -1.834111      9.006537      0.4983812      1.419799  
1 1 1 -6  22 14 o 3.269690  0.8114045     9.164567       8.770176  19.71757       10.35930      -0.9600855     1.622809  
1 1 1 -6  22 15 o 3.425941  0.8464317     19.86210       9.710652  14.71677       11.03868      0.5240822      1.692863  
1 1 1 -6  22 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  22 17 o 2.231405  0.7236289     17.84953       11.90555  -16.27609      13.35641      1.114842       1.447258  
1 1 1 -6  24 1  o 4.189105  0.4495166     17.25604       4.507827  19.98335       6.194747      -0.2725013     0.8990332 
1 1 1 -6  24 2  o 2.031969  0.5166222     5.042024       3.724451  1.556601       4.134232      0.4289674      1.033244  
1 1 1 -6  24 3  o 2.190964  0.4753576     6.548077       3.093436  1.737618       4.074007      0.6604805      0.9507151 
1 1 1 -6  24 4  o 5.227004  0.3555683     31.25970       4.857744  23.93853       5.496313      0.7302161      0.7111366 
1 1 1 -6  24 5  o 5.072930  0.4523214     24.71417       6.467329  28.52595       6.205099      -0.3929092     0.9046427 
1 1 1 -6  24 6  o 11.71675  0.4988735     152.1215       16.26989  132.6105       16.60093      0.8468082      0.9977470 
1 1 1 -6  24 7  o 2.159326  0.6253434     -0.2666407     5.272340  5.796680       7.658846      -0.8404474     1.250687  
1 1 1 -6  24 8  o 3.024379  0.6712445     9.571998       5.651339  10.63586       7.432749      -0.1687685     1.342489  
1 1 1 -6  24 9  o 3.332290  0.6652823     16.87536       6.637618  6.901164       7.443089      1.172304       1.330565  
1 1 1 -6  24 10 o 2.803922  0.7149472     6.474688       6.722660  10.77825       7.960891      -0.5033816     1.429894  
1 1 1 -6  24 11 o 6.982285  0.5346224     55.76768       9.755923  51.81784       11.13173      0.3930243      1.069245  
1 1 1 -6  24 12 f 4.458077  0.7396415     24.30117       8.676865  26.66191       9.735235      -0.1366744     1.479283  
1 1 1 -6  24 13 o 2.776006  0.7776562     14.35153       9.096749  3.890655       10.16720      0.7534705      1.555312  
1 1 1 -6  24 14 o 2.865578  0.8507234     26.47250       13.70279  -0.1467414     12.72530      1.388166       1.701447  
1 1 1 -6  24 15 o 2.404262  0.8421826     2.680842       15.63991  -2.214928      34.75103      -0.1789905     1.684365  
1 1 1 -6  26 1  o 5.197924  0.4221933     25.12474       6.309206  30.80185       5.853770      -0.5772582     0.8443865 
1 1 1 -6  26 2  o 8.136333  0.3994033     76.29137       8.279164  59.56737       9.940890      1.095820       0.7988066 
1 1 1 -6  26 3  o 3.182045  0.8078503     10.41920       8.783455  11.09293       9.769431      -0.1028778     1.615701  
1 1 1 -6  26 4  o 6.562005  0.7266694     61.03901       12.25287  34.85637       13.46806      2.145341       1.453339  
1 1 1 -6  26 5  o 2.269803  0.5906025     -2.099371      5.469368  9.854366       6.051795      -1.277257      1.181205  
1 1 1 -6  26 6  o 10.69439  0.6078253     152.4584       15.89865  98.94291       19.20367      2.749394       1.215651  
1 1 1 -6  26 7  o 2.277110  0.6085250     10.55488       6.365814  -7.057271      7.090141      1.355777       1.217050  
1 1 1 -6  26 8  o 5.177495  0.5465196     29.84522       7.316514  30.66755       8.299070      0.4144109E-02  1.093039  
1 1 1 -6  26 9  o 2.080015  0.6935684     0.7401551      14.25974  -8.715450      8.622370      0.8626004      1.387137  
1 1 1 -6  26 10 o 3.300273  1.011589      16.82059       15.58306  17.73353       19.95299      -0.2885992E-01 2.023178  
1 1 1 -6  26 11 o 2.313127  0.8046268     -3.927858      16.50577  -27.16682      21.91065      0.1727012      1.609254  
1 1 1 -6  26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  26 13 o 2.879603  0.9755741     27.45890       20.25690  28.78606       26.70840      0.1321150      1.951148  
1 1 1 -6  28 1  o 3.730021  0.8836610     31.47307       13.06231  6.861721       11.30205      1.946631       1.767322  
1 1 1 -6  28 2  o 2.900607  0.8324564     9.525401       10.66559  8.258002       10.66958      0.8938984E-01  1.664913  
1 1 1 -6  28 3  o 4.986602  0.8876728     27.55063       12.06066  40.60691       13.16642      -1.083323      1.775346  
1 1 1 -6  28 4  o 2.900281  0.8508494     10.15390       10.38054  7.620573       12.97646      0.6977826E-01  1.701699  
1 1 1 -6  28 5  o 3.171050  0.8951621     6.224089       11.36261  23.67332       14.14782      -1.150244      1.790324  
1 1 1 -6  28 6  o 2.581249  0.8275236     11.48054       12.58031  -11.69335      16.13006      0.6914616      1.655047  
1 1 1 -6  28 7  o 3.855048  1.047773      20.66189       14.28467  42.62457       18.80425      -1.034804      2.095546  
1 1 1 -6  28 8  o 3.526317  0.9390751     45.27365       15.89967  -9.148705      20.63447      2.445374       1.878150  
1 1 1 -6  28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  28 10 o 2.531498  0.7060674     22.40157       9.483075  -27.69552      14.87615      1.838683       1.412135  
1 1 1 -6  30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -6  30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  1  1  o 25.51470  1.952442      662.5010       98.87490  ?              ?             ?              ?         
1 1 1 -5  1  2  o 32.75563  2.548173      1101.332       165.6213  ?              ?             ?              ?         
1 1 1 -5  1  3  o 22.28696  1.190985      554.9081       74.35963  450.4950       74.21814      2.362699       2.381969  
1 1 1 -5  1  4  o 14.94214  0.7750822     255.7560       32.38023  194.1087       32.31859      2.081624       1.550164  
1 1 1 -5  1  5  o 31.85773  1.736260      1155.072       154.8671  929.5520       154.5359      3.570675       3.472520  
1 1 1 -5  1  6  o 21.38198  1.167312      496.6055       69.99019  432.9893       69.90152      1.499032       2.334623  
1 1 1 -5  1  7  o 13.25813  0.7204944     188.7068       26.78701  166.3708       26.76750      0.8487561      1.440989  
1 1 1 -5  1  8  o 17.98268  0.9842972     361.3358       49.57191  297.4385       49.50120      1.792256       1.968594  
1 1 1 -5  1  9  o 21.60687  1.204779      529.4698       72.88708  438.3874       72.77990      2.126188       2.409558  
1 1 1 -5  1  10 o 11.12129  0.4983071     131.7799       19.04689  121.1908       13.47662      0.4299299      0.9966143 
1 1 1 -5  1  11 o 5.854744  0.2501803     33.64000       4.122392  35.26372       4.123078      -0.1392172     0.5003607 
1 1 1 -5  1  12 o 22.07945  0.8477531     497.1741       52.73918  498.4454       52.74802      -0.2880016E-01 1.695506  
1 1 1 -5  1  13 o 36.17450  1.431440      1369.554       145.8676  1376.897       145.8837      -0.1016240     2.862879  
1 1 1 -5  1  14 o 42.20615  1.712518      1910.691       203.5775  1905.845       203.5756      0.5757058E-01  3.425035  
1 1 1 -5  1  15 o 12.08636  0.4690372     154.1068       15.97692  140.4427       15.94802      0.5672565      0.9380745 
1 1 1 -5  1  16 o 5.370927  0.3443796     27.96649       5.157258  30.39022       5.185331      -0.2273953     0.6887592 
1 1 1 -5  1  17 o 16.27777  0.6436984     268.6634       29.50562  273.6555       29.52859      -0.1535412     1.287397  
1 1 1 -5  1  18 o 23.96892  0.9766183     614.5402       65.92226  612.9641       65.93517      0.3331333E-01  1.953237  
1 1 1 -5  1  19 o 7.740337  0.4173992     66.87392       9.027276  55.34935       9.063512      0.7518402      0.8347983 
1 1 1 -5  1  20 o 10.04431  0.4693321     101.2399       13.25066  108.2525       13.25577      -0.3506882     0.9386642 
1 1 1 -5  1  21 o 2.171361  0.6476359     3.247830       6.824456  0.7495461E-01  6.886750      0.2433636      1.295272  
1 1 1 -5  1  22 o 3.601256  0.7202643     15.26216       7.629400  16.92528       7.709566      -0.1925549     1.440529  
1 1 1 -5  1  23 o 3.448563  0.7626126     15.55371       8.274691  17.94104       8.286036      -0.2623261     1.525225  
1 1 1 -5  1  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  1  25 o 2.703340  0.7767641     9.410119       10.02910  25.70650       10.26146      -1.072906      1.553528  
1 1 1 -5  3  1  o 22.81728  0.8650654     519.9581       55.61175  529.2468       55.63404      -0.2040802     1.730131  
1 1 1 -5  3  2  o 33.14763  1.181589      1201.375       110.3453  1019.427       110.1014      2.754762       2.363178  
1 1 1 -5  3  3  o 16.50552  0.5944742     301.1693       27.60824  245.9850       27.55826      1.678873       1.188948  
1 1 1 -5  3  4  o 13.97412  0.5196111     207.5190       20.45720  184.4278       20.43477      0.8293597      1.039222  
1 1 1 -5  3  5  o 11.10925  0.4219955     134.0090       13.19676  113.5706       13.17750      0.9239815      0.8439910 
1 1 1 -5  3  6  o 2.551632  0.1509803     6.880219       1.075961  6.211271       1.081393      0.1323146      0.3019605 
1 1 1 -5  3  7  o 35.56347  1.325943      1414.042       132.7156  1178.148       132.4699      3.329907       2.651886  
1 1 1 -5  3  8  o 7.974510  0.3113887     67.90333       6.992510  59.71571       6.984225      0.5155587      0.6227773 
1 1 1 -5  3  9  o 12.15152  0.5583396     159.7518       16.26456  134.0829       22.96463      1.126864       1.116679  
1 1 1 -5  3  10 o 6.274524  0.3701389     40.87119       6.444022  38.63543       6.571815      0.1809560      0.7402778 
1 1 1 -5  3  11 o 3.257100  0.3340082     10.59345       2.825927  11.18985       3.179406      -0.8395028E-01 0.6680164 
1 1 1 -5  3  12 o 8.457441  0.4861278     72.48948       11.43152  72.33365       11.62803      0.1109027E-01  0.9722555 
1 1 1 -5  3  13 o 28.36257  1.620446      834.4825       128.7164  877.5908       128.9882      -0.7614841     3.240893  
1 1 1 -5  3  14 o 24.95624  1.409334      646.6926       98.52852  665.1261       98.76280      -0.3686222     2.818668  
1 1 1 -5  3  15 o 13.54213  0.7583953     186.1736       28.71634  189.0339       28.90649      -0.1042198     1.516791  
1 1 1 -5  3  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  3  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  3  18 o 16.62415  1.548072      300.8730       70.54917  349.4374       71.09797      -1.469316      3.096144  
1 1 1 -5  3  19 o 9.374786  0.5654800     97.74349       16.35857  86.60818       13.65094      0.5252464      1.130960  
1 1 1 -5  3  20 o 4.714449  0.5618313     23.29057       7.273143  24.52490       7.176968      -0.1386303     1.123663  
1 1 1 -5  3  21 o 4.931534  0.5732997     20.31788       7.561265  32.75499       7.749148      -1.288057      1.146599  
1 1 1 -5  3  22 o 5.927007  0.5590625     28.85894       8.739125  50.47940       9.042828      -1.853180      1.118125  
1 1 1 -5  3  23 o 2.716277  0.7447572     8.093319       8.196012  11.25541       8.237255      -0.2791901     1.489514  
1 1 1 -5  3  24 o 2.312849  0.7461535     1.119254       11.82197  9.382632       10.39123      -0.3300178     1.492307  
1 1 1 -5  3  25 o 3.248348  0.8530321     22.82661       10.48467  30.27151       10.71259      -0.5703003     1.706064  
1 1 1 -5  5  1  o 42.35084  1.571817      1934.384       187.5355  1721.390       187.3529      2.523592       3.143633  
1 1 1 -5  5  2  o 18.94215  0.6993967     373.0416       37.34939  348.6685       37.30594      0.6453054      1.398793  
1 1 1 -5  5  3  o 33.04639  1.192302      1205.075       110.8915  1006.921       110.7672      3.010419       2.384605  
1 1 1 -5  5  4  o 26.30243  0.9777122     756.0601       72.40226  641.2310       72.29519      2.191966       1.955424  
1 1 1 -5  5  5  o 8.735215  0.3195072     84.25358       7.851528  68.78085       7.838396      0.8895953      0.6390144 
1 1 1 -5  5  6  o 26.11722  0.9935310     741.4624       73.06841  641.4503       72.96890      1.922497       1.987062  
1 1 1 -5  5  7  o 7.158750  0.2780312     57.47582       5.588641  45.38220       5.582717      0.8490717      0.5560623 
1 1 1 -5  5  8  o 14.72420  0.5633645     232.8624       23.36055  204.5167       23.33526      0.9664789      1.126729  
1 1 1 -5  5  9  o 12.67218  0.4885635     172.1599       17.43668  151.6549       17.41500      0.8123483      0.9771270 
1 1 1 -5  5  10 o 13.93838  0.5329653     205.1220       20.92858  187.4238       20.91245      0.6371379      1.065931  
1 1 1 -5  5  11 o 5.925301  0.2552412     37.01308       4.242947  33.48323       4.265523      0.2994932      0.5104824 
1 1 1 -5  5  12 o 3.109330  0.2942169     11.76582       2.428925  7.664751       2.549405      0.6842971      0.5884338 
1 1 1 -5  5  13 o 23.56961  0.9119751     584.5717       60.56347  549.8478       60.52740      0.7388807      1.823950  
1 1 1 -5  5  14 o 11.00278  0.4324435     133.8610       13.37980  109.8282       13.35829      1.097548       0.8648871 
1 1 1 -5  5  15 o 13.10611  0.5122303     185.5797       18.89539  161.3577       18.88317      0.9281584      1.024461  
1 1 1 -5  5  16 o 22.13929  0.8700709     522.2712       54.26096  491.3693       54.24108      0.7001212      1.740142  
1 1 1 -5  5  17 o 17.88012  0.7071825     350.3351       35.61302  308.0661       35.54607      1.186264       1.414365  
1 1 1 -5  5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  5  19 o 3.878846  0.6396031     21.82363       6.471854  6.766186       9.537681      1.606308       1.279206  
1 1 1 -5  5  20 o 3.106655  0.8056493     6.168687       9.128795  13.10141       9.741061      -0.6517885     1.611299  
1 1 1 -5  5  21 f 7.614891  0.6818293     71.61204       14.20149  59.95554       14.40679      0.7989188      1.363659  
1 1 1 -5  5  22 o 4.566063  0.8865497     28.73153       11.69814  29.60375       11.89826      -0.6248541E-01 1.773099  
1 1 1 -5  5  23 o 2.472397  0.7878914     4.905051       11.77107  5.200658       11.48723      -0.2801971E-02 1.575783  
1 1 1 -5  5  24 o 4.945835  1.030300      47.35839       15.82784  60.93689       15.66927      -1.137712      2.060601  
1 1 1 -5  7  1  o 17.82192  0.7039949     352.3141       38.00609  290.3873       32.86693      1.721734       1.407990  
1 1 1 -5  7  2  o 14.19990  0.5353518     205.3831       21.42338  200.0550       21.42142      0.1881629      1.070704  
1 1 1 -5  7  3  o 41.75656  1.576514      1885.036       185.4165  1694.654       185.3172      2.287945       3.153029  
1 1 1 -5  7  4  o 30.47446  1.120697      999.0453       96.23663  887.3500       96.10891      1.838971       2.241394  
1 1 1 -5  7  5  o 6.228091  0.2431599     41.91610       4.258253  35.83629       4.261435      0.4904148      0.4863198 
1 1 1 -5  7  6  o 12.18406  0.4667569     156.9926       16.01836  141.5240       16.00745      0.6372343      0.9335137 
1 1 1 -5  7  7  o 10.44806  0.4025294     117.1564       11.84011  102.2953       11.83148      0.7142444      0.8050589 
1 1 1 -5  7  8  o 20.09770  0.7759932     434.5221       43.92607  388.0091       43.88136      1.161548       1.551986  
1 1 1 -5  7  9  o 20.89864  0.8055454     465.4677       47.42659  426.3242       47.38884      0.9396940      1.611091  
1 1 1 -5  7  10 f 3.656531  0.2254864     14.73290       2.259097  12.08606       2.346882      0.3678013      0.4509729 
1 1 1 -5  7  11 o 16.94159  0.6503516     312.5414       31.02121  268.2552       30.97445      1.312579       1.300703  
1 1 1 -5  7  12 o 10.65265  0.4178154     124.8201       12.51378  103.3935       12.50497      1.010686       0.8356309 
1 1 1 -5  7  13 o 10.78720  0.4207614     127.9805       12.76637  106.0972       12.74879      1.019231       0.8415228 
1 1 1 -5  7  14 o 10.76597  0.4268675     127.8432       12.90947  105.5378       12.91811      1.041340       0.8537350 
1 1 1 -5  7  15 o 12.40942  0.4923671     166.5940       17.17667  144.5574       17.20096      0.8922890      0.9847343 
1 1 1 -5  7  16 o 13.42568  0.5410216     201.8029       20.40147  164.3396       20.39583      1.402721       1.082043  
1 1 1 -5  7  17 o 6.004743  0.4094138     44.41236       6.624494  28.81563       6.868019      1.327497       0.8188277 
1 1 1 -5  7  18 o 11.24496  0.4868782     140.8753       15.32296  117.9388       15.43050      1.028076       0.9737564 
1 1 1 -5  7  19 o 7.724676  0.4478854     73.82201       9.491596  49.52912       9.628982      1.596714       0.8957708 
1 1 1 -5  7  20 o 6.262676  0.4921822     36.74370       8.331552  46.42826       8.738554      -0.7669868     0.9843643 
1 1 1 -5  7  21 o 4.990885  0.6109570     26.23946       8.087071  30.70499       8.520493      -0.4201235     1.221914  
1 1 1 -5  7  22 o 7.987847  0.5277727     84.43569       11.50330  60.89183       11.78229      1.526410       1.055545  
1 1 1 -5  7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  7  24 o 1.962092  0.6574993     4.596743       9.638280  -3.075822      10.13036      0.2678908      1.314999  
1 1 1 -5  9  1  o 23.93270  0.8872435     617.6458       59.81829  540.6026       59.73710      1.615701       1.774487  
1 1 1 -5  9  2  o 22.36522  0.9078396     521.4389       53.47633  488.3069       61.73400      0.7914189      1.815679  
1 1 1 -5  9  3  f 18.90826  0.6969985     403.0143       37.03054  318.6781       36.96725      2.240438       1.393997  
1 1 1 -5  9  4  o 24.64035  0.9339190     657.7587       64.80070  576.0761       64.74346      1.664111       1.867838  
1 1 1 -5  9  5  o 13.95973  0.5183818     211.1328       20.37696  181.3359       20.35235      1.071644       1.036764  
1 1 1 -5  9  6  o 19.03658  0.7242264     385.2644       38.83883  350.2616       38.81174      0.9226350      1.448453  
1 1 1 -5  9  7  o 33.06945  1.318005      1202.627       122.7520  1096.381       122.6381      1.611415       2.636010  
1 1 1 -5  9  8  o 10.69217  0.4163479     124.7727       12.52130  105.3800       12.51581      0.9111736      0.8326958 
1 1 1 -5  9  9  o 9.839437  0.3838613     104.7038       10.62290  89.99664       10.62751      0.7508649      0.7677227 
1 1 1 -5  9  10 o 16.49463  0.6348755     292.3594       29.48919  258.0235       29.46281      1.045041       1.269751  
1 1 1 -5  9  11 o 4.911834  0.2706621     31.64924       3.545686  17.46350       3.654526      1.463280       0.5413242 
1 1 1 -5  9  12 o 10.51134  0.4099425     123.4910       12.09964  98.78139       12.09611      1.181498       0.8198850 
1 1 1 -5  9  13 o 24.38613  0.9508417     658.8288       65.28110  560.9608       65.14430      2.014720       1.901683  
1 1 1 -5  9  14 o 24.02653  0.9365534     633.1106       63.36985  557.0852       63.28114      1.587958       1.873107  
1 1 1 -5  9  15 o 16.92466  0.6658157     318.3177       31.68692  266.3399       31.66698      1.542981       1.331631  
1 1 1 -5  9  16 o 13.24332  0.5378349     196.9013       19.97043  160.2247       20.03010      1.393230       1.075670  
1 1 1 -5  9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  9  18 o 6.744761  0.4542325     58.09124       8.214731  35.69259       8.497319      1.698802       0.9084650 
1 1 1 -5  9  19 o 8.185913  0.4526116     71.17023       10.21951  68.30363       10.57771      0.1882412      0.9052232 
1 1 1 -5  9  20 o 6.736537  0.4957245     53.97181       9.070315  42.67304       9.454333      0.8755499      0.9914490 
1 1 1 -5  9  21 o 2.996017  0.7351506     6.300932       7.615880  15.62237       8.242540      -0.9532232     1.470301  
1 1 1 -5  9  22 o 3.019884  0.7791398     14.20126       8.452310  11.67649       8.972620      0.2519880      1.558280  
1 1 1 -5  9  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  9  24 o 2.899044  0.8362389     17.36494       10.59477  27.36537       11.42133      -0.5779833     1.672478  
1 1 1 -5  11 1  o 15.76767  0.6353308     263.0212       26.36450  236.8602       30.42153      0.8627402      1.270662  
1 1 1 -5  11 2  o 26.85042  1.031409      759.1488       78.03224  720.5682       78.00070      0.7205388      2.062819  
1 1 1 -5  11 3  o 20.12828  0.7501817     456.3432       42.44902  366.4877       42.37308      2.242153       1.500363  
1 1 1 -5  11 4  o 6.446486  0.2511437     44.50965       4.557889  38.87291       4.553898      0.4391080      0.5022874 
1 1 1 -5  11 5  o 14.12650  0.5365107     213.8028       21.34567  189.1847       21.32655      0.8747842      1.073021  
1 1 1 -5  11 6  o 10.34194  0.3951092     115.1248       11.50317  100.0737       11.49574      0.7307912      0.7902184 
1 1 1 -5  11 7  o 1.897760  0.2842046     4.519984       1.429803  2.689590       1.606836      0.4745308      0.5684093 
1 1 1 -5  11 8  o 14.11614  0.5439913     214.5015       21.62119  187.7458       21.60179      0.9516738      1.087983  
1 1 1 -5  11 9  o 16.35151  0.6312089     288.7385       29.06190  251.8897       29.02865      1.131479       1.262418  
1 1 1 -5  11 10 o 15.34636  0.5880633     254.3041       25.40885  221.0500       25.38410      1.088029       1.176127  
1 1 1 -5  11 11 o 9.645594  0.3893557     107.4011       10.50218  79.98751       10.51297      1.429574       0.7787114 
1 1 1 -5  11 12 o 18.04549  0.6925589     364.7448       35.15413  296.0435       35.06236      1.912245       1.385118  
1 1 1 -5  11 13 o 18.33069  0.7094114     376.7014       36.58243  307.5964       36.48735      1.893432       1.418823  
1 1 1 -5  11 14 o 2.920756  0.5164238     11.27087       4.204782  5.772157       4.690110      0.8329417      1.032848  
1 1 1 -5  11 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  11 16 o 3.071895  0.8886273     8.840127       13.00429  0.5891229E-01  12.00248      0.6519926      1.777255  
1 1 1 -5  11 17 o 8.338503  0.4318191     75.15951       9.887877  66.75865       10.33194      0.5169062      0.8636382 
1 1 1 -5  11 18 o 4.557385  0.5951945     22.26562       7.062091  22.76862       7.774495      -0.2239149E-01 1.190389  
1 1 1 -5  11 19 o 6.694043  0.4902417     44.66356       8.829755  50.82621       9.467842      -0.4351008     0.9804835 
1 1 1 -5  11 20 o 3.586421  0.7357795     18.53337       7.776994  12.37489       8.455981      0.7178926      1.471559  
1 1 1 -5  11 21 o 2.195866  0.6840943     -1.077507      8.052359  4.980076       8.736947      -0.4313748     1.368189  
1 1 1 -5  11 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  11 23 o 1.883972  0.6417665     2.749581       9.970310  -7.952780      10.70530      0.3032792      1.283533  
1 1 1 -5  13 1  o 14.16296  0.5365691     216.2241       21.39618  188.8681       21.38268      0.9697549      1.073138  
1 1 1 -5  13 2  o 9.045063  0.3382123     86.39668       8.613422  78.03957       8.617643      0.4637418      0.6764247 
1 1 1 -5  13 3  o 8.116178  0.3400486     72.20602       7.219655  59.44806       8.335598      0.8011686      0.6800973 
1 1 1 -5  13 4  o 14.19727  0.5353597     227.5645       21.35550  179.8445       21.31324      1.688627       1.070719  
1 1 1 -5  13 5  o 8.802318  0.3315530     84.73334       8.210136  70.93473       8.204528      0.7873694      0.6631060 
1 1 1 -5  13 6  o 13.43017  0.5116104     193.4659       19.34834  170.2813       19.33358      0.8666753      1.023221  
1 1 1 -5  13 7  o 24.49853  0.9512010     637.3529       65.64385  591.8593       65.61287      0.9316120      1.902402  
1 1 1 -5  13 8  o 2.816190  0.2791272     8.337482       2.039006  7.771509       2.309938      0.1107808      0.5582544 
1 1 1 -5  13 9  o 11.56017  0.4441218     143.1275       14.43568  125.7099       14.46541      0.7567865      0.8882436 
1 1 1 -5  13 10 o 27.50783  1.062676      819.6835       82.35381  737.5416       82.24281      1.497970       2.125352  
1 1 1 -5  13 11 o 21.01644  0.8094251     484.9991       47.90497  415.8736       47.80664      1.651114       1.618850  
1 1 1 -5  13 12 o 25.74434  0.9861625     734.3535       71.51041  636.9769       71.36604      1.897681       1.972325  
1 1 1 -5  13 13 o 11.91824  0.4827145     163.7983       16.07911  123.9415       16.13397      1.682623       0.9654290 
1 1 1 -5  13 14 o 2.147996  1.023286      ?              ?         -15.03336      12.12958      ?              ?         
1 1 1 -5  13 15 o 7.499007  0.5297003     68.97292       11.92004  47.52754       10.17913      1.411563       1.059401  
1 1 1 -5  13 16 o 3.851473  0.6135658     15.70696       6.191057  16.25235       6.918918      -0.5058980E-01 1.227132  
1 1 1 -5  13 17 o 1.967685  0.6016269     -6.633586      6.388505  4.170952       7.146557      -0.8600026     1.203254  
1 1 1 -5  13 18 o 3.893697  0.6789939     21.35960       7.391241  11.93564       8.066368      1.117659       1.357988  
1 1 1 -5  13 19 f 3.940498  0.6729793     26.89754       7.871288  8.338620       8.555430      2.038540       1.345959  
1 1 1 -5  13 20 o 2.016855  0.6526060     -0.2526573     8.039063  -4.011546      8.797395      0.1114543      1.305212  
1 1 1 -5  13 21 f 3.734133  0.8197516     22.93144       9.231361  19.84856       10.17469      0.4207834      1.639503  
1 1 1 -5  13 22 o 2.483378  0.7326767     20.38361       10.05499  -4.708179      10.89815      1.355738       1.465353  
1 1 1 -5  15 1  o 17.49410  0.6635886     312.4415       32.71866  308.4543       32.70967      0.1142256      1.327177  
1 1 1 -5  15 2  f 9.895460  0.3936321     98.53265       10.25513  98.73584       11.86571      0.2308214E-03  0.7872642 
1 1 1 -5  15 3  o 16.87582  0.6395680     316.3396       30.35975  260.0047       30.31090      1.676712       1.279136  
1 1 1 -5  15 4  o 8.247993  0.3186064     77.82220       7.352709  58.98954       7.369453      1.147967       0.6372128 
1 1 1 -5  15 5  o 28.44113  1.086716      877.9797       87.04348  786.4423       86.99220      1.615230       2.173431  
1 1 1 -5  15 6  o 3.500160  0.2307105     13.46981       2.166479  11.05064       2.344134      0.3538516      0.4614209 
1 1 1 -5  15 7  o 7.246813  0.3004118     58.19994       6.081871  47.20286       6.141331      0.7636417      0.6008236 
1 1 1 -5  15 8  o 8.885542  0.3533182     83.10049       8.795835  75.54216       8.880952      0.4276668      0.7066365 
1 1 1 -5  15 9  o 10.70650  0.4181176     126.3208       12.55737  104.3480       12.60410      1.031676       0.8362351 
1 1 1 -5  15 10 o 13.75459  0.5324500     214.9356       20.55795  167.7469       20.52674      1.724181       1.064900  
1 1 1 -5  15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  15 12 o 7.044811  0.3752760     62.44099       7.091655  38.35817       7.399555      1.733081       0.7505519 
1 1 1 -5  15 13 o 9.378642  0.4361250     111.0066       11.10780  68.63787       11.38733      2.282074       0.8722500 
1 1 1 -5  15 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  15 15 o 12.28183  0.5352147     175.9972       18.31574  135.2599       18.48216      1.673576       1.070429  
1 1 1 -5  15 16 o 7.797891  0.4544790     69.31024       9.640458  55.96291       10.17008      0.8820552      0.9089580 
1 1 1 -5  15 17 o 14.98401  0.6713569     283.6821       28.02605  208.9317       28.08921      2.516179       1.342714  
1 1 1 -5  15 18 o 7.701537  0.5122613     72.13487       10.60805  55.58789       11.31061      1.136034       1.024523  
1 1 1 -5  15 19 o 7.417774  0.5820634     79.02776       11.20658  46.96700       11.88295      2.283074       1.164127  
1 1 1 -5  15 20 o 3.020723  0.7446458     23.01580       9.262458  -0.4371341     10.03073      1.826675       1.489292  
1 1 1 -5  15 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  17 1  o 23.96141  0.9095361     607.3780       61.39982  564.5130       61.37907      0.8974240      1.819072  
1 1 1 -5  17 2  o 13.76735  0.5318360     186.9882       19.27321  196.7726       22.30237      -0.3369272     1.063672  
1 1 1 -5  17 3  o 16.67068  0.6157739     297.7698       28.91786  263.5843       28.89182      1.029165       1.231548  
1 1 1 -5  17 4  o 8.613990  0.3416140     81.11343       8.266511  67.90800       8.277691      0.7704599      0.6832280 
1 1 1 -5  17 5  o 18.72902  0.7279000     392.9852       41.33331  322.6696       35.68493      1.837682       1.455800  
1 1 1 -5  17 6  o 12.95603  0.4886810     181.1834       17.81818  157.0537       17.81908      0.9352293      0.9773620 
1 1 1 -5  17 7  o 30.27124  1.182968      983.2018       100.8959  926.7819       100.8239      0.9342692      2.365936  
1 1 1 -5  17 8  o 16.12663  0.6071087     282.3070       27.56345  244.7323       27.54489      1.169817       1.214217  
1 1 1 -5  17 9  o 12.95273  0.8528591     181.8378       37.73504  169.5164       26.77006      0.3064250      1.705718  
1 1 1 -5  17 10 o 12.60694  0.4936142     181.2092       17.41104  140.8239       17.48454      1.611277       0.9872285 
1 1 1 -5  17 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  17 12 o 7.985821  0.4030779     73.96494       8.751958  55.08186       9.202971      1.200807       0.8061559 
1 1 1 -5  17 13 o 5.879771  0.6458314     50.26187       8.414144  21.07321       11.75742      2.627043       1.291663  
1 1 1 -5  17 14 o 8.847856  0.4529656     89.98129       10.91482  70.29814       11.49676      1.137085       0.9059311 
1 1 1 -5  17 15 o 1.918781  0.6004598     -8.577430      6.683694  3.258033       7.600130      -0.8638719     1.200920  
1 1 1 -5  17 16 o 5.122279  0.6063470     32.22750       8.093223  24.56591       8.926078      0.8231645      1.212694  
1 1 1 -5  17 17 o 4.128187  0.7180666     24.70917       8.238826  15.15373       9.013179      1.102289       1.436133  
1 1 1 -5  17 18 o 7.390979  0.6154341     85.80489       11.37629  42.14264       12.06574      3.106213       1.230868  
1 1 1 -5  17 19 o 6.107094  0.6883016     55.24408       11.04923  40.31875       11.84795      1.396591       1.376603  
1 1 1 -5  17 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  17 21 o 2.140134  0.7176498     12.67121       11.59125  -1.461922      12.56681      0.4603594      1.435300  
1 1 1 -5  19 1  o 6.577375  0.2765498     50.73594       5.043062  36.34768       5.105193      1.101632       0.5530995 
1 1 1 -5  19 2  o 17.35880  0.6351832     313.6239       31.08244  297.2352       31.06247      0.4733398      1.270366  
1 1 1 -5  19 3  o 6.657877  0.2780376     47.81172       5.173765  41.15285       5.235893      0.5032673      0.5560752 
1 1 1 -5  19 4  o 15.87336  0.5830262     280.1966       26.05024  229.9330       25.98074      1.589838       1.166052  
1 1 1 -5  19 5  o 22.30539  0.8640458     526.4053       54.28449  496.1316       54.28934      0.6810314      1.728092  
1 1 1 -5  19 6  o 11.16449  0.4917303     136.4357       15.31577  115.4007       15.52729      0.9499189      0.9834605 
1 1 1 -5  19 7  o 9.662273  0.3891087     101.2494       10.49504  86.82304       10.65229      0.7518291      0.7782175 
1 1 1 -5  19 8  o 12.45927  0.4923093     177.0258       17.15078  137.7201       17.24317      1.587217       0.9846186 
1 1 1 -5  19 9  o 24.56780  0.9366952     676.4507       64.80734  591.0618       64.71795      1.743593       1.873390  
1 1 1 -5  19 10 o 9.303832  0.4094948     92.05619       10.39445  83.00021       11.06451      0.4985771      0.8189895 
1 1 1 -5  19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  19 12 o 7.302393  0.4459606     67.03609       8.553618  42.32344       9.255969      1.736041       0.8919211 
1 1 1 -5  19 13 o 4.917197  0.5631399     33.11801       7.037430  17.35643       7.959416      1.689542       1.126280  
1 1 1 -5  19 14 o 9.493852  0.5154967     119.8405       13.06025  71.23497       13.58275      2.611257       1.030993  
1 1 1 -5  19 15 o 2.146928  0.6685592     0.7258834      7.441028  -1.817105      8.432778      0.3896685E-01  1.337118  
1 1 1 -5  19 16 o 4.261526  0.7493230     21.10181       8.428432  24.15450       9.656833      -0.2338775     1.498646  
1 1 1 -5  19 17 o 3.851401  0.7060180     32.93543       9.240197  3.121703       10.24772      2.750278       1.412036  
1 1 1 -5  19 18 o 2.732211  0.7848961     16.95521       9.863237  1.620115       11.07154      0.9784622      1.569792  
1 1 1 -5  19 19 o 2.587767  0.8502582     5.450150       12.24269  25.43089       18.76982      -0.6587115     1.700516  
1 1 1 -5  19 20 o 1.948636  0.6738277     7.620559       12.14014  -9.850965      13.28619      0.3966829      1.347655  
1 1 1 -5  21 1  o 5.396956  0.2812502     29.98370       4.109799  28.65993       4.432912      0.1271194      0.5625004 
1 1 1 -5  21 2  o 8.967759  0.3514470     90.19039       8.834602  71.82512       8.857943      1.029645       0.7028939 
1 1 1 -5  21 3  o 10.62201  0.4082410     123.1394       12.18896  104.5168       12.20455      0.8808526      0.8164819 
1 1 1 -5  21 4  o 13.50965  0.5293383     210.3317       21.67806  162.5158       18.65860      1.741063       1.058677  
1 1 1 -5  21 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  21 6  o 12.03177  0.4394411     161.0513       14.80723  132.0906       14.91591      1.210323       0.8788823 
1 1 1 -5  21 7  o 18.56045  0.6989241     375.3403       36.51041  336.6186       36.54441      1.047851       1.397848  
1 1 1 -5  21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  21 9  o 2.288190  0.5535051     -3.128623      4.843040  10.59014       5.691183      -1.613336      1.107010  
1 1 1 -5  21 10 o 13.85042  0.5454651     222.9479       21.07790  174.3343       21.28039      1.769739       1.090930  
1 1 1 -5  21 11 o 8.212654  0.4370472     73.82042       9.699171  64.71716       10.46963      0.5806181      0.8740944 
1 1 1 -5  21 12 o 7.586028  0.4575473     60.72350       9.291548  59.44373       10.21946      0.1183927      0.9150946 
1 1 1 -5  21 13 o 4.554698  0.6430653     24.87167       7.547331  21.27458       8.653069      0.4677302      1.286131  
1 1 1 -5  21 14 f 6.522313  0.5714159     55.65010       9.542224  37.46539       10.73015      1.528981       1.142832  
1 1 1 -5  21 15 o 2.439831  0.7410845     3.106578       8.554590  4.529907       9.919462      -0.1934482     1.482169  
1 1 1 -5  21 16 o 2.768074  0.7944540     12.87451       9.489177  5.641042       10.52960      0.4911951      1.588908  
1 1 1 -5  21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  21 18 o 3.371096  0.9111420     30.67866       11.97500  21.80575       13.43984      0.8005002      1.822284  
1 1 1 -5  23 1  f 4.222742  0.3683549     20.65110       3.914127  15.01091       4.701685      0.7109853      0.7367097 
1 1 1 -5  23 2  o 12.83818  0.5026919     165.2418       16.89036  172.3524       19.81575      -0.2333839     1.005384  
1 1 1 -5  23 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  23 5  o 6.781168  0.3794751     54.66721       6.739719  38.41625       7.516294      1.229612       0.7589503 
1 1 1 -5  23 6  o 6.014122  0.4164668     38.38316       6.035355  34.67973       8.560611      0.3785028      0.8329335 
1 1 1 -5  23 7  o 3.191232  0.5983133     17.86918       6.439367  3.670317       5.647483      1.819485       1.196627  
1 1 1 -5  23 8  o 6.849264  0.4064475     53.01710       7.439513  42.75371       8.136216      0.7783504      0.8128949 
1 1 1 -5  23 9  o 2.689879  0.6423368     8.275011       5.417824  6.099789       6.410998      0.2068566      1.284674  
1 1 1 -5  23 10 o 8.863701  0.4576057     98.44103       10.89565  66.01897       11.49281      1.871719       0.9152115 
1 1 1 -5  23 11 o 2.141585  0.6280218     6.774843       6.717258  -5.883219      7.271696      0.8675784      1.256044  
1 1 1 -5  23 12 o 2.686735  0.6562839     15.73366       7.403875  -6.983744      8.398424      1.780411       1.312568  
1 1 1 -5  23 13 o 4.313130  0.7583718     22.79406       8.642599  25.00888       9.904212      -0.1153142     1.516744  
1 1 1 -5  23 14 o 3.527580  0.8403125     17.92619       9.377807  18.60764       10.58590      0.1119390E-01  1.680625  
1 1 1 -5  23 15 o 2.119579  0.7036521     -2.683679      9.980969  0.4297141      11.48787      -0.2237263     1.407304  
1 1 1 -5  23 16 o 2.234705  1.146225      ?              ?         -41.03577      33.66756      ?              ?         
1 1 1 -5  25 1  o 3.843951  0.4529057     24.25315       4.440989  7.314308       4.800340      2.226612       0.9058113 
1 1 1 -5  25 2  o 2.873252  0.7394795     8.195634       7.535619  7.172522       8.073473      0.6363229E-01  1.478959  
1 1 1 -5  25 3  o 13.28543  0.7840340     213.7420       29.06920  171.4230       29.07284      1.610690       1.568068  
1 1 1 -5  25 4  o 3.665172  0.7714385     21.06567       8.796404  6.137405       10.16738      1.426903       1.542877  
1 1 1 -5  25 5  o 6.955905  0.3959204     51.05190       7.511836  48.76810       7.950122      0.1787673      0.7918409 
1 1 1 -5  25 6  o 6.251056  0.4228283     43.29026       6.809063  37.22068       8.074069      0.5427319      0.8456566 
1 1 1 -5  25 7  o 6.323587  0.4829275     42.76368       7.340764  41.81716       10.44288      0.2315459      0.9658550 
1 1 1 -5  25 8  o 3.058583  0.6690322     8.218612       5.875218  13.50362       7.055209      -0.6658394     1.338064  
1 1 1 -5  25 9  f 2.075402  0.6305312     -0.7825994     6.281877  3.365463       7.256209      -0.4320658     1.261062  
1 1 1 -5  25 10 o 3.189504  0.7013257     16.24118       6.976840  6.986122       8.140879      1.015505       1.402651  
1 1 1 -5  25 11 o 2.413462  0.7135461     3.343328       7.640496  6.584519       8.763153      -0.3185312     1.427092  
1 1 1 -5  25 12 o 2.989718  0.7706855     5.007890       8.626537  20.19465       9.710362      -1.304890      1.541371  
1 1 1 -5  25 13 o 2.539356  0.8355576     3.611910       15.42742  6.694080       13.85254      -0.6498283E-01 1.671115  
1 1 1 -5  25 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  27 1  f 6.257632  0.4784121     50.46812       8.744736  33.54873       7.775192      1.322653       0.9568242 
1 1 1 -5  27 2  o 5.818055  0.6924455     36.02377       10.59057  41.82891       11.38846      -0.4470293     1.384891  
1 1 1 -5  27 3  o 5.296556  0.7493207     31.34408       10.11565  35.66090       11.69944      -0.2752574     1.498641  
1 1 1 -5  27 4  o 2.127389  0.7013014     -2.373189      9.795359  -10.79359      11.20488      0.1890246      1.402603  
1 1 1 -5  27 5  o 6.794524  0.8017290     60.26656       13.93570  51.62218       16.09131      0.8867606      1.603458  
1 1 1 -5  27 6  o 5.891388  0.8948189     47.32351       13.29661  44.05227       16.57033      0.6641493      1.789638  
1 1 1 -5  27 7  o 4.639489  1.034865      32.06662       13.73494  35.77003       17.25273      0.2729983E-01  2.069730  
1 1 1 -5  27 8  o 2.430806  0.8166180     -8.629506      13.43195  2.187578       17.48328      -0.5695089     1.633236  
1 1 1 -5  27 9  o 2.690210  0.8865272     8.445507       14.72845  -4.363299      19.72134      0.2247451      1.773054  
1 1 1 -5  27 10 o 2.301297  0.7985438     1.665348       16.17329  -31.54956      21.84115      0.3619082      1.597088  
1 1 1 -5  27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  29 5  o 2.903348  1.435096      ?              ?         6.306080       30.55984      ?              ?         
1 1 1 -5  29 6  o 3.022074  1.017045      7.047484       17.86460  56.53178       33.06389      -0.9355470     2.034090  
1 1 1 -5  29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  29 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -5  31 1  o 2.034606  0.7219659     -28.97394      24.17175  -7.388240      14.77005      0.3777448E-01  1.443932  
1 1 1 -5  31 2  o 2.862455  0.9161220     32.63652       19.28956  16.23973       13.36034      0.3644836      1.832244  
1 1 1 -4  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  0  6  o 18.89082  1.485048      365.1986       55.28719  365.1986       55.28719      ?              ?         
1 1 1 -4  0  7  o 33.69744  2.148898      1164.052       143.4573  1164.052       143.4573      ?              ?         
1 1 1 -4  0  8  o 29.63150  1.621447      894.6783       95.42966  894.6783       95.42966      ?              ?         
1 1 1 -4  0  9  o 15.05216  0.8108801     229.3630       24.24807  229.3630       24.24807      ?              ?         
1 1 1 -4  0  10 o 9.412004  0.5115126     89.53043       9.563289  89.53043       9.563289      ?              ?         
1 1 1 -4  0  11 o 1.705754  0.5998228     3.823231       1.855654  3.823231       1.855654      ?              ?         
1 1 1 -4  0  12 o 5.209095  0.3521591     27.52635       3.629760  27.52635       3.629760      ?              ?         
1 1 1 -4  0  13 o 1.252843  0.6819894     2.209104       2.416640  2.209104       2.416640      ?              ?         
1 1 1 -4  0  14 o 50.03885  2.837054      2642.221       281.8216  2642.221       281.8216      ?              ?         
1 1 1 -4  0  15 o 6.693957  0.4434724     45.45612       5.876502  45.45612       5.876502      ?              ?         
1 1 1 -4  0  16 o 2.510402  0.8600488     8.214901       3.879183  8.214901       3.879183      ?              ?         
1 1 1 -4  0  17 o 1.183864  0.7694668     -0.3068387     4.370969  -0.3068387     4.370969      ?              ?         
1 1 1 -4  0  18 o 6.290630  0.5548313     40.68349       6.849927  40.68349       6.849927      ?              ?         
1 1 1 -4  0  19 o 2.063438  1.069106      6.402658       5.696992  6.402658       5.696992      ?              ?         
1 1 1 -4  0  20 o 4.736364  0.7685126     24.56424       6.705095  24.56424       6.705095      ?              ?         
1 1 1 -4  0  21 o 11.84587  0.7349311     146.3477       17.25647  146.3477       17.25647      ?              ?         
1 1 1 -4  0  22 o 2.991875  1.212687      13.62670       7.099936  13.62670       7.099936      ?              ?         
1 1 1 -4  0  23 o 2.218087  1.212763      8.961203       7.676788  8.961203       7.676788      ?              ?         
1 1 1 -4  0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  0  25 o 1.371321  0.9533836     -1.707169      9.252516  -1.707169      9.252516      ?              ?         
1 1 1 -4  2  1  o 15.24757  0.5621769     256.7119       24.11383  209.9837       24.07445      1.539200       1.124354  
1 1 1 -4  2  2  o 14.74509  0.5256892     245.9411       21.77366  190.8412       21.72604      1.876766       1.051378  
1 1 1 -4  2  3  o 34.77986  2.720285      1246.225       187.7174  ?              ?             ?              ?         
1 1 1 -4  2  4  o 48.79515  3.309878      2518.913       551.3854  2617.925       390.1272      -2.640157      6.619755  
1 1 1 -4  2  5  o 35.57559  1.962128      1423.759       195.5756  1192.801       195.2339      3.272811       3.924257  
1 1 1 -4  2  6  o 39.56706  2.219474      1732.826       246.1830  1557.766       246.0112      2.228203       4.438948  
1 1 1 -4  2  7  o 6.937472  0.3851818     51.71845       7.476094  45.05846       7.496891      0.4841732      0.7703637 
1 1 1 -4  2  8  o 25.54617  1.426870      687.4355       102.2427  668.1908       102.2635      0.3793602      2.853740  
1 1 1 -4  2  9  o 13.80367  0.7630588     196.5270       29.53565  191.9371       29.57114      0.1676527      1.526118  
1 1 1 -4  2  10 o 45.04893  3.122041      2519.992       392.2549  2677.841       392.6681      -1.757765      6.244082  
1 1 1 -4  2  11 o 8.809481  0.4975409     80.78428       12.24361  76.40087       12.33773      0.2514968      0.9950817 
1 1 1 -4  2  12 o 15.40478  0.8571011     237.6673       36.98583  248.5083       37.08773      -0.3531635     1.714202  
1 1 1 -4  2  13 o 4.937996  0.3836674     28.33640       5.105091  20.66405       5.350601      0.7981814      0.7673348 
1 1 1 -4  2  14 f 42.31696  2.675225      2042.077       316.4477  2149.971       316.9750      -1.273967      5.350450  
1 1 1 -4  2  15 o 18.78777  0.7782929     349.8479       44.42525  367.8677       38.53337      -0.5380427     1.556586  
1 1 1 -4  2  16 o 15.12309  0.5918190     234.5392       25.21371  230.1038       25.21658      0.1471348      1.183638  
1 1 1 -4  2  17 o 9.270705  0.4035434     86.84536       10.50338  87.06183       10.55724      -0.1116064E-01 0.8070868 
1 1 1 -4  2  18 o 10.66312  0.4521878     113.1231       13.53902  118.1923       13.60674      -0.2376866     0.9043757 
1 1 1 -4  2  19 o 2.580220  0.6283690     3.235686       5.727919  9.069323       5.792641      -0.7069744     1.256738  
1 1 1 -4  2  20 o 8.181622  0.4265653     65.78301       9.736886  72.48865       9.851134      -0.4091913     0.8531307 
1 1 1 -4  2  21 o 4.960069  0.5347457     20.54328       7.141536  32.31932       7.222054      -1.221815      1.069491  
1 1 1 -4  2  22 o 6.759025  0.5037031     65.37448       9.195197  35.69250       9.045725      2.232628       1.007406  
1 1 1 -4  2  23 o 1.992022  0.6344712     1.837651       7.481017  -1.704902      7.668078      0.1898787      1.268942  
1 1 1 -4  2  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  2  25 o 2.648103  0.7498864     24.17510       9.555096  6.875776       9.702973      1.199613       1.499773  
1 1 1 -4  4  1  o 27.35774  0.6905673     679.7346       53.15450  824.2750       53.25326      -2.647474      1.381135  
1 1 1 -4  4  2  o 28.00353  1.036159      849.8461       81.71349  732.0397       81.61217      2.111909       2.072318  
1 1 1 -4  4  3  f 41.36100  1.504091      1835.714       175.3302  1646.103       175.1111      2.299581       3.008182  
1 1 1 -4  4  4  o 31.52865  1.152183      1051.735       102.3692  960.4436       102.3047      1.452537       2.304365  
1 1 1 -4  4  5  o 32.26185  1.220287      1099.329       110.9317  1014.322       110.8489      1.321772       2.440575  
1 1 1 -4  4  6  o 22.92856  0.8734686     552.0222       56.43208  510.2179       56.38686      0.9146858      1.746937  
1 1 1 -4  4  7  f 29.46915  1.130715      913.4640       93.88505  857.9938       93.83919      0.9440988      2.261431  
1 1 1 -4  4  8  o 11.88164  0.4558233     150.4200       15.25474  133.5138       15.23782      0.7142901      0.9116467 
1 1 1 -4  4  9  o 34.11539  1.345500      1252.074       129.3034  1190.220       129.2666      0.9092433      2.691000  
1 1 1 -4  4  10 o 20.63140  0.7998587     440.3677       46.49476  429.2080       46.49249      0.2712847      1.599717  
1 1 1 -4  4  11 o 22.75831  0.8855213     552.2611       56.77510  508.4960       56.72636      0.9646704      1.771043  
1 1 1 -4  4  12 o 6.579144  0.2846571     47.18479       5.250299  39.69666       5.271854      0.5725915      0.5693142 
1 1 1 -4  4  13 o 31.91175  1.241513      1086.133       111.6316  1025.614       111.5565      0.9507198      2.483027  
1 1 1 -4  4  14 f 25.24091  1.145870      639.3003       70.32685  697.6432       99.66906      -0.8167753     2.291740  
1 1 1 -4  4  15 o 4.905415  0.4537823     20.93702       5.855844  28.22044       6.369289      -0.7491627     0.9075646 
1 1 1 -4  4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  4  19 o 18.06220  1.129308      372.5818       56.98365  374.8931       57.21630      -0.5369179E-01 2.258617  
1 1 1 -4  4  20 o 5.853217  0.6639187     26.43497       10.26484  47.98717       10.66924      -1.878258      1.327837  
1 1 1 -4  4  21 o 3.171440  0.7980860     15.41073       9.313170  6.480189       9.334755      0.8160342      1.596172  
1 1 1 -4  4  22 o 5.072732  0.7647555     18.48013       11.22035  46.65885       11.21988      -2.617510      1.529511  
1 1 1 -4  4  23 o 3.638449  0.8988497     24.20910       11.58170  19.46929       11.29387      0.3858116      1.797699  
1 1 1 -4  4  24 o 3.743896  0.8832045     27.71810       13.54198  27.10890       9.883761      -0.5220006     1.766409  
1 1 1 -4  4  25 o 2.671369  0.7910018     15.03393       10.07681  21.47228       10.23801      -0.4103109     1.582004  
1 1 1 -4  6  1  o 15.95733  0.5741498     277.2340       25.80331  234.0247       25.75516      1.359376       1.148300  
1 1 1 -4  6  2  o 33.65020  1.226310      1255.965       116.1499  1039.133       115.9181      3.235081       2.452619  
1 1 1 -4  6  3  o 24.12421  0.9028537     623.8492       61.35295  549.8641       61.28546      1.539366       1.805707  
1 1 1 -4  6  4  o 31.57427  1.192597      1050.376       106.0865  974.4464       106.0564      1.206452       2.385194  
1 1 1 -4  6  5  o 20.52005  0.7796618     443.4411       45.07885  405.9494       45.03829      0.9167330      1.559324  
1 1 1 -4  6  6  o 14.24917  0.5428399     221.5932       21.77291  186.7212       21.73595      1.229124       1.085680  
1 1 1 -4  6  7  o 27.82874  1.064840      836.1578       83.46375  746.8788       83.38992      1.610022       2.129681  
1 1 1 -4  6  8  o 6.967465  0.2756940     56.13550       5.380945  41.51558       5.366992      1.055049       0.5513881 
1 1 1 -4  6  9  o 26.83781  1.033945      784.8453       78.15353  701.9686       78.08209      1.549549       2.067890  
1 1 1 -4  6  10 o 4.053444  0.2211830     16.91111       2.468402  16.15015       2.565793      0.9569890E-01  0.4423660 
1 1 1 -4  6  11 o 15.45520  0.5955163     260.3954       25.91029  222.4362       25.87099      1.233386       1.191033  
1 1 1 -4  6  12 o 24.71295  0.9576002     644.0557       66.67432  606.1150       66.64140      0.7700069      1.915200  
1 1 1 -4  6  13 o 13.18258  0.5115557     187.5942       18.98227  162.5373       18.96669      0.9545617      1.023111  
1 1 1 -4  6  14 o 12.83707  0.5017824     176.7208       18.11885  155.5267       18.13708      0.8292746      1.003565  
1 1 1 -4  6  15 o 21.25724  0.8299904     491.4034       49.69206  434.4262       49.61898      1.345172       1.659981  
1 1 1 -4  6  16 o 18.38306  0.7150416     367.2677       37.03070  324.6534       36.96050      1.163158       1.430083  
1 1 1 -4  6  17 o 2.149449  0.5765379     1.021035       4.811682  5.547681       5.143030      -0.5690494     1.153076  
1 1 1 -4  6  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  6  19 o 16.69237  0.6925498     323.4528       32.51321  268.4079       32.42336      1.655031       1.385100  
1 1 1 -4  6  20 o 4.579545  0.5560636     24.55114       6.786120  20.48292       7.105103      0.4730714      1.112127  
1 1 1 -4  6  21 o 2.699452  0.6910258     5.082479       6.698610  10.31051       7.127444      -0.5752048     1.382052  
1 1 1 -4  6  22 o 3.610222  0.7219252     17.61022       7.542982  15.83264       7.918690      0.2375371      1.443850  
1 1 1 -4  6  23 o 3.533874  0.7768530     17.83589       8.287248  19.74873       8.904295      -0.1386220     1.553706  
1 1 1 -4  6  24 o 2.635924  0.7545961     20.11966       9.171855  0.3172548E-02  12.40469      1.199587       1.509192  
1 1 1 -4  8  1  o 26.09250  0.9641642     722.3079       70.88634  653.9993       70.83149      1.313516       1.928328  
1 1 1 -4  8  2  o 66.66973  2.602640      4960.684       488.8814  4568.867       488.3031      2.944016       5.205279  
1 1 1 -4  8  3  o 20.79800  0.7695320     471.4827       45.05424  400.5930       45.00674      1.711415       1.539064  
1 1 1 -4  8  4  o 16.18200  0.6129451     279.7755       27.93487  247.2574       27.91081      1.008771       1.225890  
1 1 1 -4  8  5  o 8.214344  0.3150676     71.92773       7.285236  63.43673       7.284749      0.5190206      0.6301351 
1 1 1 -4  8  6  o 9.071660  0.3518067     88.20163       8.984549  77.04865       8.977924      0.6173850      0.7036134 
1 1 1 -4  8  7  o 10.61075  0.4095679     118.3592       12.23947  108.1959       12.23624      0.4807248      0.8191358 
1 1 1 -4  8  8  o 23.67340  0.9082339     600.8939       60.56891  548.4642       60.52613      1.111134       1.816468  
1 1 1 -4  8  9  o 8.443668  0.3294497     77.23551       7.823764  66.01800       7.825506      0.6673932      0.6588994 
1 1 1 -4  8  10 o 4.826443  0.2364864     26.23034       3.157431  20.49800       3.230643      0.5997086      0.4729729 
1 1 1 -4  8  11 o 7.799492  0.3238411     72.93954       7.011534  49.81937       7.040607      1.492131       0.6476822 
1 1 1 -4  8  12 o 9.516485  0.3799932     99.57453       10.15107  82.41953       10.17243      0.9061844      0.7599864 
1 1 1 -4  8  13 o 9.535157  0.3877612     98.62608       10.35618  84.11330       10.43580      0.7655128      0.7755224 
1 1 1 -4  8  14 o 2.795713  0.4627813     8.300809       3.491517  8.039346       3.712563      0.4625939E-01  0.9255625 
1 1 1 -4  8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  8  16 o 2.361598  0.7031238     -0.4475797     6.523281  3.509483       10.45212      -0.8020564     1.406248  
1 1 1 -4  8  17 o 5.061642  0.4391019     27.54734       5.980093  24.86685       6.329075      0.2784062      0.8782038 
1 1 1 -4  8  18 o 11.95889  0.5079501     159.8435       17.02661  134.0002       17.10192      1.088335       1.015900  
1 1 1 -4  8  19 f 8.558017  0.4456316     88.03738       10.48115  63.31493       10.73430      1.466769       0.8912632 
1 1 1 -4  8  20 o 3.635752  0.6440177     20.57310       6.880474  8.392084       7.184566      1.471369       1.288035  
1 1 1 -4  8  21 o 2.693612  0.6984804     3.482390       7.003224  12.17749       7.598834      -0.8896491     1.396961  
1 1 1 -4  8  22 o 2.693484  0.7354832     8.165202       7.703638  9.687095       8.206358      -0.1476141     1.470966  
1 1 1 -4  8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  8  24 o 2.035464  0.6727867     4.393163       9.301705  2.962991       9.970595      0.4053303E-01  1.345573  
1 1 1 -4  10 1  o 13.47139  0.4959929     197.0389       18.81359  167.7482       18.78888      1.091669       0.9919858 
1 1 1 -4  10 2  o 16.43847  0.6157169     295.8700       28.49374  248.6225       28.44148      1.443300       1.231434  
1 1 1 -4  10 3  o 17.24204  0.6398717     329.9934       31.02993  269.9193       30.98760      1.749915       1.279743  
1 1 1 -4  10 4  o 9.492921  0.3646863     95.61063       9.749168  85.42276       9.743742      0.5387585      0.7293726 
1 1 1 -4  10 5  o 20.08646  0.7700121     423.7040       43.57584  396.6398       43.55875      0.6758994      1.540024  
1 1 1 -4  10 6  f 15.55561  0.5995572     256.4382       26.27178  233.2390       26.25223      0.7484231      1.199114  
1 1 1 -4  10 7  o 6.619756  0.2624622     47.13975       4.877968  40.80010       4.897477      0.4812681      0.5249243 
1 1 1 -4  10 8  o 18.11350  0.6913099     348.8625       35.27277  317.5435       35.25362      0.8676499      1.382620  
1 1 1 -4  10 9  o 1.719532  0.3554223     2.606722       1.725957  3.485317       1.968219      -0.2280062     0.7108446 
1 1 1 -4  10 10 o 6.574844  0.2818852     46.87267       5.177188  39.85505       5.239525      0.5372387      0.5637704 
1 1 1 -4  10 11 o 8.956029  0.3602500     89.19708       9.046575  71.97839       9.070778      0.9667453      0.7205001 
1 1 1 -4  10 12 o 22.07111  0.8584954     538.4740       53.32725  454.5134       53.23475      1.910350       1.716991  
1 1 1 -4  10 13 o 21.51751  0.8390184     495.6411       50.84359  450.8435       50.81839      1.044840       1.678037  
1 1 1 -4  10 14 o 12.69215  0.5118979     187.3611       18.18177  139.0722       18.16684      1.913473       1.023796  
1 1 1 -4  10 15 o 22.57853  0.9034486     581.5814       57.37169  478.4440       57.23007      2.293711       1.806897  
1 1 1 -4  10 16 o 11.52966  0.4833838     144.6729       15.60815  125.4234       15.73363      0.8409173      0.9667677 
1 1 1 -4  10 17 o 6.796531  0.4176508     46.65047       7.722200  47.87814       8.196270      -0.8173429E-01 0.8353016 
1 1 1 -4  10 18 o 12.82267  0.5507554     187.3946       19.77089  154.8302       19.88255      1.280678       1.101511  
1 1 1 -4  10 19 o 10.10043  0.4910570     129.6624       13.66509  85.29975       13.76167      2.219799       0.9821141 
1 1 1 -4  10 20 o 2.876557  0.7120730     10.73473       6.941950  7.141085       7.587563      0.3612242      1.424146  
1 1 1 -4  10 21 o 3.118402  0.7436685     13.61656       7.543221  10.90494       8.171424      0.3007042      1.487337  
1 1 1 -4  10 22 o 2.888482  0.7597231     7.237602       8.299567  17.07648       8.952375      -0.8705394     1.519446  
1 1 1 -4  10 23 o 2.139414  0.6657913     -8.975175      9.089292  15.52791       9.810875      -1.234623      1.331583  
1 1 1 -4  12 1  o 15.01251  0.5687529     238.7436       24.05370  216.4904       24.03705      0.7438545      1.137506  
1 1 1 -4  12 2  o 7.395622  0.3039122     56.63929       6.833488  53.71994       5.918947      0.1914982      0.6078244 
1 1 1 -4  12 3  o 8.446602  0.3205875     78.42601       7.614878  64.89741       7.609892      0.8045988      0.6411749 
1 1 1 -4  12 4  o 5.668363  0.2252314     37.20316       3.573812  27.40926       3.567789      0.8688546      0.4504627 
1 1 1 -4  12 5  o 10.32862  0.3897688     117.8332       11.32406  96.83419       11.30683      1.021242       0.7795376 
1 1 1 -4  12 6  o 28.03659  1.106607      837.7327       87.39441  794.0021       87.36922      0.7823253      2.213214  
1 1 1 -4  12 7  o 5.020498  0.2276716     25.51243       3.165728  25.16290       3.268411      0.3585762E-01  0.4553432 
1 1 1 -4  12 8  o 23.53300  0.8979567     598.9087       59.53516  532.3515       59.44360      1.419087       1.795913  
1 1 1 -4  12 9  o 8.104500  0.3297401     73.56616       7.468542  58.37030       7.526242      0.9433432      0.6594802 
1 1 1 -4  12 10 o 2.303621  0.3758517     6.854257       2.336382  3.687515       2.664538      0.6406369      0.7517034 
1 1 1 -4  12 11 o 16.67735  0.6468965     302.6175       30.36487  260.1938       30.33671      1.277522       1.293793  
1 1 1 -4  12 12 o 14.81409  0.5779786     241.1126       24.07029  202.7279       24.07846      1.301930       1.155957  
1 1 1 -4  12 13 o 8.369757  0.3646112     78.84357       8.487734  62.16888       8.619453      1.004045       0.7292224 
1 1 1 -4  12 14 o 18.44280  0.7359050     389.6561       38.11505  308.9344       38.04405      2.199510       1.471810  
1 1 1 -4  12 15 o 15.50065  0.6319240     282.9650       27.42024  210.7576       27.37534      2.342562       1.263848  
1 1 1 -4  12 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  12 17 o 3.972409  0.5990505     18.50986       6.247167  14.96571       6.952067      0.4638420      1.198101  
1 1 1 -4  12 18 o 6.119348  0.4822091     39.12451       7.920065  39.70004       8.521878      -0.2376991E-01 0.9644181 
1 1 1 -4  12 19 o 7.515418  0.4815492     70.02541       9.804829  49.72411       10.21002      1.392924       0.9630984 
1 1 1 -4  12 20 o 3.412551  0.7455857     15.49594       7.609506  13.54740       8.380784      0.2464224      1.491171  
1 1 1 -4  12 21 o 2.256488  0.6932175     -0.9773129     8.135488  7.751037       8.881831      -0.6093005     1.386435  
1 1 1 -4  12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  12 23 o 2.270619  0.7259384     15.02411       10.14109  2.175143       10.86728      0.6072945      1.451877  
1 1 1 -4  14 1  o 12.30011  0.4701583     165.0457       16.27733  139.9400       16.25512      1.025079       0.9403167 
1 1 1 -4  14 2  o 4.975882  0.2062368     26.01144       2.873154  23.66217       2.902963      0.2373920      0.4124735 
1 1 1 -4  14 3  o 2.916424  0.1823909     10.85692       1.401365  6.339398       1.486183      0.7890694      0.3647818 
1 1 1 -4  14 4  o 3.959611  0.1816812     16.42269       2.010982  15.04616       2.034275      0.1749908      0.3633625 
1 1 1 -4  14 5  o 19.00682  0.7197164     392.1209       38.52720  341.0015       38.47144      1.350072       1.439433  
1 1 1 -4  14 6  o 29.59477  1.156104      943.1981       96.37479  868.2886       96.31366      1.269773       2.312209  
1 1 1 -4  14 7  o 15.90606  0.5951887     276.1985       26.65869  234.6143       26.60938      1.312616       1.190377  
1 1 1 -4  14 8  o 18.91483  0.7190903     379.6667       38.32307  345.4574       38.28494      0.9074380      1.438181  
1 1 1 -4  14 9  o 20.66231  0.7944200     464.2021       46.22548  403.5897       46.15616      1.472632       1.588840  
1 1 1 -4  14 10 o 9.874867  0.4003097     108.5223       11.06005  87.65060       11.13556      1.063320       0.8006194 
1 1 1 -4  14 11 o 16.99492  0.6527495     314.6436       31.20723  271.5728       31.21897      1.272975       1.305499  
1 1 1 -4  14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  14 13 o 15.03848  0.6032912     253.7568       25.46714  207.1902       25.49502      1.556946       1.206582  
1 1 1 -4  14 14 o 6.047615  0.4023121     43.89280       6.480321  30.05734       6.938695      1.173042       0.8046242 
1 1 1 -4  14 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  14 16 o 8.962682  0.4473256     89.49024       10.96690  74.88327       11.52874      0.8349252      0.8946513 
1 1 1 -4  14 17 o 6.384042  0.4851254     51.09475       8.072220  33.54568       8.840382      1.438762       0.9702508 
1 1 1 -4  14 18 o 4.104626  0.6268200     29.88849       7.479844  7.242605       8.106774      2.489497       1.253640  
1 1 1 -4  14 19 o 3.386317  0.7434419     16.12510       7.611618  11.65874       8.478549      0.5144608      1.486884  
1 1 1 -4  14 20 o 2.534274  0.7377250     3.891599       8.154411  9.785585       9.136690      -0.4905241     1.475450  
1 1 1 -4  14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  14 22 o 2.918633  0.7804965     28.35637       10.34085  4.378682       11.18045      1.654130       1.560993  
1 1 1 -4  16 1  o 6.402489  0.2538729     45.12308       4.559956  37.11477       4.573987      0.6287798      0.5077459 
1 1 1 -4  16 2  o 3.339974  0.1799921     12.17090       1.637083  10.15401       1.733515      0.3063354      0.3599843 
1 1 1 -4  16 3  o 24.15480  0.9744624     639.0856       71.47846  562.4471       61.79317      1.499938       1.948925  
1 1 1 -4  16 4  o 7.312735  0.2874317     57.77740       5.872650  49.47735       5.952226      0.5708449      0.5748635 
1 1 1 -4  16 5  o 8.386208  0.3348608     79.30918       7.862491  62.02369       7.888522      1.036577       0.6697215 
1 1 1 -4  16 6  o 16.11764  0.6181107     273.5381       28.06501  251.5545       28.05011      0.6843981      1.236221  
1 1 1 -4  16 7  o 3.348755  0.2818162     11.42946       2.462754  11.34632       2.804044      0.2003278E-01  0.5636325 
1 1 1 -4  16 8  o 7.748066  0.3232171     70.17152       6.930192  50.70053       7.047313      1.265775       0.6464342 
1 1 1 -4  16 9  o 24.05325  0.9257826     606.4711       62.72638  584.1736       62.74893      0.4652434      1.851565  
1 1 1 -4  16 10 o 8.882045  0.3700218     83.81831       9.139805  74.92229       9.356994      0.5051485      0.7400437 
1 1 1 -4  16 11 o 11.36423  0.4645463     148.2489       14.71687  113.1286       14.84910      1.555999       0.9290926 
1 1 1 -4  16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  16 13 o 6.135319  0.4088477     43.85942       6.698663  32.20736       7.217342      0.9762176      0.8176953 
1 1 1 -4  16 14 o 5.154149  0.4760783     28.27068       6.439636  26.56329       7.159388      0.1901074      0.9521566 
1 1 1 -4  16 15 o 4.632163  0.5534973     25.47758       6.703131  19.25961       7.335649      0.7169597      1.106995  
1 1 1 -4  16 16 o 2.179474  0.6043057     9.194492       6.647712  -11.69734      7.457632      1.376929       1.208611  
1 1 1 -4  16 17 o 13.58072  0.6381891     246.8122       23.90259  161.5986       23.94411      3.166535       1.276378  
1 1 1 -4  16 18 o 8.000468  0.5292640     83.57619       11.28487  57.10316       11.97093      1.735033       1.058528  
1 1 1 -4  16 19 o 3.526988  0.7990588     17.48755       8.519508  17.19009       9.671311      0.1057954      1.598118  
1 1 1 -4  16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  16 21 o 2.837830  0.7787727     27.85689       10.67850  0.6216782      11.76201      1.687702       1.557545  
1 1 1 -4  18 1  f 9.543573  0.3599955     101.4497       9.642901  81.60089       9.656611      1.045099       0.7199910 
1 1 1 -4  18 2  o 19.16245  0.7169273     400.1841       38.69501  344.2025       38.62413      1.466455       1.433855  
1 1 1 -4  18 3  o 27.35567  1.102445      804.5999       79.38730  732.3254       91.57814      1.461543       2.204890  
1 1 1 -4  18 4  o 4.441917  0.2339939     19.35359       2.840581  20.41699       3.001772      -0.1186153     0.4679877 
1 1 1 -4  18 5  o 18.72946  0.6912827     399.7038       36.38571  312.7887       36.27792      2.330549       1.382565  
1 1 1 -4  18 6  o 21.18933  0.8038055     478.8552       47.98055  438.0952       47.95691      0.9651401      1.607611  
1 1 1 -4  18 7  o 7.606634  0.3202614     62.36295       6.743447  53.80767       6.958797      0.5673807      0.6405228 
1 1 1 -4  18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  18 9  o 18.98007  0.7245783     403.2582       38.70427  335.0106       38.61642      1.805309       1.449157  
1 1 1 -4  18 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  18 11 o 13.56130  0.5495322     206.4057       20.84088  168.9932       21.01760      1.389733       1.099064  
1 1 1 -4  18 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  18 13 o 5.118296  0.4873126     29.38751       6.529305  24.49022       7.237982      0.5153772      0.9746253 
1 1 1 -4  18 14 o 5.965160  0.5399115     54.35542       7.863872  21.91749       8.478739      2.822816       1.079823  
1 1 1 -4  18 15 o 4.901253  0.6000559     36.50931       7.601056  15.45677       8.353033      2.213584       1.200112  
1 1 1 -4  18 16 o 3.919372  0.7021384     21.97601       7.670566  12.86022       8.610394      1.072184       1.404277  
1 1 1 -4  18 17 o 8.482089  0.5785146     108.4032       12.56939  55.29945       13.14568      3.238629       1.157029  
1 1 1 -4  18 18 o 3.328494  0.8121449     18.58329       9.086885  12.48334       10.01804      0.6089917      1.624290  
1 1 1 -4  18 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  18 20 o 2.441439  0.7768763     12.49291       10.77479  7.300902       12.10767      0.2509742      1.553753  
1 1 1 -4  20 1  o 8.631742  0.3407735     80.97918       8.245665  68.79417       8.298184      0.7097328      0.6815470 
1 1 1 -4  20 2  o 6.082057  0.2580332     40.10881       4.364727  34.10415       4.457435      0.4973367      0.5160663 
1 1 1 -4  20 3  o 4.145883  0.2251083     17.18486       2.545787  17.47103       2.699877      -0.3280863E-01 0.4502166 
1 1 1 -4  20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  20 5  o 3.823476  0.9409224     ?              ?         15.46440       7.145546      ?              ?         
1 1 1 -4  20 6  o 6.519889  0.3253816     48.48945       5.677619  36.85129       6.175443      0.9075333      0.6507633 
1 1 1 -4  20 7  o 13.21684  0.6555733     192.4115       21.93093  161.8406       27.26070      1.251011       1.311147  
1 1 1 -4  20 8  o 10.55642  0.4476044     135.2049       13.04478  91.68781       13.20487      2.077571       0.8952089 
1 1 1 -4  20 9  o 7.241515  0.3825605     62.10283       7.465882  44.01461       7.919641      1.270134       0.7651210 
1 1 1 -4  20 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  20 11 o 7.858034  0.4223095     72.81033       8.913931  53.03170       9.545431      1.286908       0.8446190 
1 1 1 -4  20 12 o 3.172585  0.6620021     7.055029       6.078017  14.85433       6.967932      -0.9952900     1.324004  
1 1 1 -4  20 13 o 6.186526  0.5197703     53.50132       8.116090  27.48177       8.798462      2.194767       1.039541  
1 1 1 -4  20 14 o 3.302167  0.7050549     17.19757       7.276944  5.708816       8.337958      1.219952       1.410110  
1 1 1 -4  20 15 o 8.083193  0.5330161     87.40029       11.35978  55.36394       12.08904      2.066936       1.066032  
1 1 1 -4  20 16 o 6.188690  0.6176286     48.07314       10.05066  41.16132       10.97309      0.6753630      1.235257  
1 1 1 -4  20 17 o 2.073732  0.6816271     1.963160       9.311100  -7.336906      10.45194      0.2999337      1.363254  
1 1 1 -4  20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  20 19 o 3.161536  0.9297141     21.15932       11.99854  36.84764       15.92818      -0.4693047     1.859428  
1 1 1 -4  22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  22 3  o 3.979583  0.5915918     13.05026       6.056145  20.40180       6.864027      -0.9033245     1.183184  
1 1 1 -4  22 4  o 11.34651  0.5263267     161.3810       15.02787  101.7194       17.51172      2.691873       1.052653  
1 1 1 -4  22 5  o 11.28363  0.4538804     152.6828       14.24302  106.7993       14.29669      2.046412       0.9077607 
1 1 1 -4  22 6  o 7.596964  1.041418      ?              ?         60.96750       15.40720      ?              ?         
1 1 1 -4  22 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  22 8  o 5.676608  0.4164630     42.85038       5.977540  23.30360       6.608229      1.779024       0.8329259 
1 1 1 -4  22 9  o 6.068489  0.4422167     50.86842       6.757825  25.65809       7.356744      2.142381       0.8844333 
1 1 1 -4  22 10 o 11.14472  0.4976464     158.9816       15.08764  100.7293       15.46192      2.645354       0.9952928 
1 1 1 -4  22 11 o 9.277547  0.4577353     98.38299       11.60578  80.38350       12.19900      0.9992217      0.9154706 
1 1 1 -4  22 12 o 6.451835  0.5261312     56.17418       8.567229  32.51975       9.559528      1.940463       1.052262  
1 1 1 -4  22 13 o 7.085167  0.5210094     56.64535       9.834132  52.47287       10.78740      0.3609082      1.042019  
1 1 1 -4  22 14 o 3.362291  0.7964258     10.72767       8.423836  19.15575       9.749609      -0.8132847     1.592852  
1 1 1 -4  22 15 o 1.911235  0.6514590     -9.575082      9.170504  -6.506554      11.95984      -0.3653367     1.302918  
1 1 1 -4  22 16 f 2.309488  0.7517280     7.515191       10.46792  -7.655020      13.73822      0.4191346      1.503456  
1 1 1 -4  22 17 o 2.516156  0.8123288     14.42466       11.58893  1.602068       16.46030      0.4389474      1.624658  
1 1 1 -4  24 1  o 8.790966  0.3633555     81.58727       8.903638  75.10829       9.080209      0.3728737      0.7267111 
1 1 1 -4  24 2  o 6.949767  0.5222755     49.55987       9.780636  50.63018       10.47303      -0.6014235E-01 1.044551  
1 1 1 -4  24 3  o 4.196192  0.6439458     25.09345       7.304089  11.16093       8.349980      1.588447       1.287892  
1 1 1 -4  24 4  o 2.301937  0.6968815     0.3073074      7.429378  0.6215603      8.832556      -0.2053467     1.393763  
1 1 1 -4  24 5  o 3.270722  0.6523234     5.860243       4.092493  21.40874       9.867352      -1.988672      1.304647  
1 1 1 -4  24 6  o 6.329513  0.3897889     45.62192       6.514744  35.88770       7.272562      0.8013805      0.7795779 
1 1 1 -4  24 7  o 16.27396  0.6503493     313.7561       31.92774  255.3816       27.81216      1.640175       1.300699  
1 1 1 -4  24 8  o 2.891619  0.6534239     7.336454       5.443161  11.16103       6.794301      -0.5265806     1.306848  
1 1 1 -4  24 9  o 9.792431  0.4610845     106.8215       11.98208  93.42931       13.48447      0.7504159      0.9221691 
1 1 1 -4  24 10 f 4.951162  0.5980904     34.30708       7.345538  18.82146       8.994514      1.707204       1.196181  
1 1 1 -4  24 11 o 3.719606  0.7211153     20.44286       7.498574  11.40685       9.381564      1.047152       1.442231  
1 1 1 -4  24 12 o 2.986190  0.7921635     9.872757       8.065048  12.32221       10.30141      -0.2480344     1.584327  
1 1 1 -4  24 13 o 2.441617  0.7256744     12.34075       8.869743  -9.901193      11.48110      1.039196       1.451349  
1 1 1 -4  24 14 o 2.522594  0.7927212     4.913954       9.959793  9.423985       13.00831      -0.3219057     1.585442  
1 1 1 -4  24 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  26 1  o 6.412575  0.3675143     44.39651       7.832248  41.22601       5.818206      0.1853071      0.7350285 
1 1 1 -4  26 2  o 6.382133  0.5889672     49.81578       10.04784  36.90186       10.55504      1.067599       1.177934  
1 1 1 -4  26 3  o 2.150329  0.6745403     -4.123094      7.771791  1.643236       8.894490      -0.4915656     1.349081  
1 1 1 -4  26 4  o 7.138201  0.6514328     45.58677       11.83173  67.21862       13.70808      -1.437096      1.302866  
1 1 1 -4  26 5  o 7.464565  0.7141067     72.10381       13.64247  51.38538       15.51264      1.568198       1.428213  
1 1 1 -4  26 6  o 7.342998  0.3898337     55.25919       7.643105  57.67006       8.497408      -0.1294047     0.7796674 
1 1 1 -4  26 7  o 4.629157  0.6137414     24.32509       6.370088  24.50633       12.18581      0.3930558      1.227483  
1 1 1 -4  26 8  f 3.784686  0.6746202     12.17647       6.177806  23.56496       8.573888      -1.217196      1.349240  
1 1 1 -4  26 9  o 1.903954  0.6156383     -1.661756      6.574968  -2.968419      8.439724      -0.1574761     1.231277  
1 1 1 -4  26 10 o 3.695408  0.9952893     3.430331       14.19089  47.78922       19.40119      -2.377285      1.990579  
1 1 1 -4  26 11 o 2.506670  0.8509406     0.7746717      15.27424  -8.523456      20.77424      0.5524308E-02  1.701881  
1 1 1 -4  26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  26 13 o 2.599461  0.9155538     44.49564       26.94640  -43.27741      34.64359      0.9356054      1.831108  
1 1 1 -4  28 1  o 3.235776  0.8025046     22.37594       10.68626  2.923241       9.593216      1.649244       1.605009  
1 1 1 -4  28 2  o 2.832919  0.8222876     10.27776       11.26710  5.595343       9.973691      0.3859806      1.644575  
1 1 1 -4  28 3  o 2.882627  0.8162893     14.68340       10.26160  0.4103090      11.56143      0.8949853      1.632579  
1 1 1 -4  28 4  o 2.258165  0.7558392     -9.187202      12.60196  -4.098124      13.09568      -0.2131398     1.511678  
1 1 1 -4  28 5  o 3.695966  1.001673      14.47980       14.66599  29.22067       15.53014      -0.9388162     2.003346  
1 1 1 -4  28 6  o 3.459463  1.007481      27.32376       16.16876  11.40207       16.97290      0.8509672      2.014962  
1 1 1 -4  28 7  o 2.581864  0.8695378     7.115348       17.36537  -10.34624      18.27979      0.4347909      1.739076  
1 1 1 -4  28 8  o 3.090277  0.9705240     25.77990       16.28951  4.474240       20.84253      0.8020485      1.941048  
1 1 1 -4  28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  28 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -4  30 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  1  1  f 12.03914  0.8956603     146.1048       21.41141  ?              ?             ?              ?         
1 1 1 -3  1  2  o 30.22230  2.303514      933.6649       138.1857  ?              ?             ?              ?         
1 1 1 -3  1  3  o 25.64158  1.384563      725.8752       99.51234  608.9783       99.34897      2.298185       2.769127  
1 1 1 -3  1  4  o 15.27529  0.8058525     247.3672       34.54870  223.2329       34.52242      0.7953215      1.611705  
1 1 1 -3  1  5  o 32.02662  1.779033      1069.904       159.8449  1042.951       159.8530      0.4235740      3.558066  
1 1 1 -3  1  6  o 35.42893  1.992852      1282.946       197.9719  1331.359       198.0786      -0.6870769     3.985704  
1 1 1 -3  1  7  o 6.012179  0.3393720     36.94965       5.702379  35.87548       5.743036      0.9027557E-01  0.6787440 
1 1 1 -3  1  8  o 8.121278  0.4516542     67.20422       10.27372  65.90609       10.30797      0.8069548E-01  0.9033083 
1 1 1 -3  1  9  o 10.50896  0.5694725     104.8458       16.74202  118.4808       16.81328      -0.6530453     1.138945  
1 1 1 -3  1  10 o 10.00179  0.4476862     102.6719       15.40718  100.1440       10.91967      0.9080797E-01  0.8953725 
1 1 1 -3  1  11 o 5.477173  0.2468828     27.53784       3.786072  32.70154       3.808189      -0.4740583     0.4937657 
1 1 1 -3  1  12 o 11.08648  0.4292368     124.9643       13.40593  122.7557       13.40990      0.9994497E-01  0.8584735 
1 1 1 -3  1  13 o 34.36807  1.360830      1232.273       131.7471  1237.561       131.7614      -0.7699969E-01 2.721661  
1 1 1 -3  1  14 o 35.76582  1.431814      1346.295       144.2538  1339.488       144.2493      0.9541059E-01  2.863627  
1 1 1 -3  1  15 o 6.226083  0.3053412     42.14321       5.339067  35.77672       5.328286      0.5147724      0.6106823 
1 1 1 -3  1  16 o 12.04041  0.4798339     146.7717       16.27082  146.4560       16.27876      0.1321831E-01  0.9596677 
1 1 1 -3  1  17 o 2.780540  0.5310227     6.025341       4.323864  9.900668       4.363793      -0.6087733     1.062045  
1 1 1 -3  1  18 o 17.93378  0.7166001     344.5728       36.20304  321.8556       36.17001      0.6351578      1.433200  
1 1 1 -3  1  19 o 3.166949  0.5661536     15.66072       5.449798  4.912931       5.461954      1.456626       1.132307  
1 1 1 -3  1  20 o 7.169410  0.4167565     61.73700       8.319837  44.18383       8.283715      1.237864       0.8335129 
1 1 1 -3  1  21 o 4.748765  0.5271328     28.54136       6.785570  19.70873       6.817251      0.9621966      1.054266  
1 1 1 -3  1  22 o 2.923143  0.6924189     9.537262       6.754055  10.59804       6.738237      -0.1241606     1.384838  
1 1 1 -3  1  23 o 4.164311  0.6417942     30.14755       7.662591  13.27131       7.753534      1.922677       1.283588  
1 1 1 -3  1  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  1  25 o 1.932297  0.6422181     4.153370       8.937610  1.278876       9.029354      0.1187898      1.284436  
1 1 1 -3  3  1  o 8.328263  0.3145447     76.09564       7.371005  62.93723       7.358135      0.7936344      0.6290895 
1 1 1 -3  3  2  o 7.419203  0.2776135     60.12079       5.797845  50.19313       5.786684      0.6720376      0.5552269 
1 1 1 -3  3  3  o 26.28994  0.9523182     730.5898       70.55808  662.2460       70.50043      1.304190       1.904636  
1 1 1 -3  3  4  f 18.18117  0.6701343     341.9292       34.34473  322.7832       34.32028      0.5281053      1.340269  
1 1 1 -3  3  5  f 7.427342  0.2851384     57.12579       5.966563  53.53312       5.964570      0.2426822      0.5702767 
1 1 1 -3  3  6  o 26.43422  1.007106      744.6033       74.99281  669.0522       74.92596      1.434379       2.014212  
1 1 1 -3  3  7  o 34.54462  1.301325      1252.451       126.6754  1189.044       126.6427      0.9204891      2.602650  
1 1 1 -3  3  8  o 11.78903  0.4524688     145.4869       15.02724  133.9866       15.01862      0.4895055      0.9049375 
1 1 1 -3  3  9  o 25.75444  1.050620      672.3678       71.25417  696.3382       82.34361      -0.3553589     2.101240  
1 1 1 -3  3  10 o 25.12758  1.429126      640.1153       100.5177  702.0099       100.7423      -1.237575      2.858252  
1 1 1 -3  3  11 o 6.063272  0.3708096     38.38136       6.214375  35.85900       6.376441      0.2116827      0.7416192 
1 1 1 -3  3  12 o 15.03389  0.8177303     217.7019       34.39534  243.8038       34.53966      -0.8731289     1.635461  
1 1 1 -3  3  13 o 35.70779  2.134408      1381.900       213.3186  1444.251       213.6824      -0.8732026     4.268817  
1 1 1 -3  3  14 o 5.757714  0.4084974     30.37797       6.457571  36.67294       6.631052      -0.5517805     0.8169948 
1 1 1 -3  3  15 o 14.57520  0.8231350     221.0478       33.60745  214.5181       33.68958      0.2264380      1.646270  
1 1 1 -3  3  16 o 13.21378  0.7559766     176.1931       27.97939  182.5344       28.03897      -0.2408462     1.511953  
1 1 1 -3  3  17 o 18.16877  1.052488      348.2596       53.53210  352.1128       53.69168      -0.1034647     2.104976  
1 1 1 -3  3  18 o 12.08889  0.7176412     154.2265       24.24204  150.2764       24.37788      0.1674765      1.435282  
1 1 1 -3  3  19 o 12.34749  0.6606414     168.0998       25.47621  154.2576       20.94809      0.4383773      1.321283  
1 1 1 -3  3  20 o 3.447517  0.6176194     16.90697       6.252282  8.689122       6.169348      1.070401       1.235239  
1 1 1 -3  3  21 o 4.641870  0.5439462     17.66279       6.725745  28.94745       6.944568      -1.239308      1.087892  
1 1 1 -3  3  22 o 2.677720  0.6835804     10.39259       6.715585  5.346763       6.857248      0.5314724      1.367161  
1 1 1 -3  3  23 o 4.762074  0.6251818     32.24895       8.042485  23.45469       8.208337      0.9660918      1.250364  
1 1 1 -3  3  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  3  25 o 4.574215  0.8065894     41.90239       10.36119  36.46802       10.57576      0.6244109      1.613179  
1 1 1 -3  5  1  o 38.90454  1.447301      1577.636       158.7204  1499.639       158.6049      1.005054       2.894603  
1 1 1 -3  5  2  o 18.23934  0.6674621     360.1266       34.27877  308.2015       34.24362      1.429277       1.334924  
1 1 1 -3  5  3  o 35.03484  1.311954      1299.904       129.4935  1191.119       129.4423      1.557896       2.623907  
1 1 1 -3  5  4  o 13.29305  0.5048879     185.8550       18.90995  168.9464       18.89169      0.6383238      1.009776  
1 1 1 -3  5  5  o 32.86094  1.263469      1139.105       116.9739  1058.110       116.9049      1.236457       2.526937  
1 1 1 -3  5  6  o 27.69736  1.061370      822.4143       82.80465  734.2087       82.71883      1.598332       2.122741  
1 1 1 -3  5  7  o 24.06083  0.9181714     591.0243       62.24562  584.6689       62.26085      0.1325543      1.836343  
1 1 1 -3  5  8  o 29.26125  1.111540      871.2914       91.63136  890.3209       91.67393      -0.3257468     2.223079  
1 1 1 -3  5  9  o 1.790157  0.3017640     3.366562       1.456333  3.311543       1.563612      0.1462164E-01  0.6035279 
1 1 1 -3  5  10 f 10.14123  0.3902878     106.4573       11.14338  100.6453       11.15605      0.2876136      0.7805757 
1 1 1 -3  5  11 o 18.40752  0.7046432     345.7999       36.54558  343.0992       36.55388      0.7364918E-01  1.409286  
1 1 1 -3  5  12 o 20.85274  0.7964432     446.4741       46.79379  438.8492       46.80385      0.1834611      1.592886  
1 1 1 -3  5  13 o 13.13492  0.5113629     178.5188       18.91608  169.4320       18.92366      0.3471302      1.022726  
1 1 1 -3  5  14 o 18.23075  0.7070236     349.2020       36.31612  325.1931       36.28894      0.6606368      1.414047  
1 1 1 -3  5  15 o 20.93594  0.8152030     469.1744       48.08120  427.0391       48.02715      1.009701       1.630406  
1 1 1 -3  5  16 o 13.73416  1.660913      ?              ?         201.5091       44.69686      ?              ?         
1 1 1 -3  5  17 o 21.04676  1.542781      530.0251       77.21603  460.2752       108.8155      2.784608       3.085562  
1 1 1 -3  5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  5  19 o 7.176445  0.4690861     51.70812       8.097586  56.20138       11.66993      -0.2184449     0.9381723 
1 1 1 -3  5  20 o 4.070682  0.7179114     26.40925       8.768447  10.05227       8.748121      1.761581       1.435823  
1 1 1 -3  5  21 o 2.104610  0.6737374     -7.402034      8.858853  1.408022       8.842147      -0.4597168     1.347475  
1 1 1 -3  5  22 o 4.207919  0.8208905     19.81627       10.35411  27.07416       10.11308      -0.7614924     1.641781  
1 1 1 -3  5  23 o 3.572046  0.8612892     28.39311       11.32084  13.21883       10.69757      1.266044       1.722578  
1 1 1 -3  5  24 o 2.804872  0.8301727     28.01233       12.75619  4.722223       11.82518      1.262774       1.660345  
1 1 1 -3  7  1  o 38.94241  1.707882      1541.077       229.1272  1567.582       162.1084      -0.7533622     3.415765  
1 1 1 -3  7  2  o 20.77352  0.7593446     476.2271       44.37972  392.5383       44.32227      2.023089       1.518689  
1 1 1 -3  7  3  o 30.39065  1.135889      974.6415       97.26541  898.3274       97.21819      1.259741       2.271778  
1 1 1 -3  7  4  o 3.522002  0.1544126     13.80735       1.517889  11.05039       1.532648      0.3941376      0.3088253 
1 1 1 -3  7  5  o 17.91059  0.6848559     340.0009       34.55441  306.3962       34.52199      0.9416633      1.369712  
1 1 1 -3  7  6  o 19.24396  0.7361395     386.9319       39.91393  361.5683       39.89393      0.6611872      1.472279  
1 1 1 -3  7  7  o 24.99314  0.9681953     654.7921       68.17329  622.1300       68.15743      0.6554917      1.936391  
1 1 1 -3  7  8  o 3.989548  0.2059586     19.41158       2.245741  12.67956       2.295431      0.8532116      0.4119171 
1 1 1 -3  7  9  o 11.24374  0.4334527     135.7630       13.71959  118.8400       13.71263      0.7557708      0.8669054 
1 1 1 -3  7  10 o 16.82367  0.6447888     290.0017       30.56031  284.3564       30.57188      0.1683854      1.289578  
1 1 1 -3  7  11 o 6.590393  0.2807385     47.59309       5.153738  39.53765       5.239707      0.6155262      0.5614771 
1 1 1 -3  7  12 o 25.74339  1.001909      702.4637       72.66287  656.0546       72.62172      0.9042555      2.003818  
1 1 1 -3  7  13 o 17.06720  0.6624240     314.4499       31.83633  274.9005       31.79470      1.163446       1.324848  
1 1 1 -3  7  14 o 6.535454  0.3193531     53.14906       5.733169  33.35038       5.777185      1.529242       0.6387062 
1 1 1 -3  7  15 o 2.664740  0.4650445     2.859419       3.632389  11.60828       3.917929      -1.428232      0.9300889 
1 1 1 -3  7  16 o 13.50135  0.5419253     204.2329       20.55363  165.8905       20.54034      1.427469       1.083851  
1 1 1 -3  7  17 o 10.83711  0.4565339     125.4697       13.86769  112.8936       13.97054      0.5843746      0.9130679 
1 1 1 -3  7  18 o 4.258490  0.5021293     18.66657       5.672703  19.37548       6.011560      -0.7357768E-01 1.004259  
1 1 1 -3  7  19 o 4.857119  0.4860182     23.52188       6.354349  26.03790       6.620679      -0.2542315     0.9720365 
1 1 1 -3  7  20 o 2.068646  0.6133201     3.854233       6.077792  -1.627956      6.358258      0.4162848      1.226640  
1 1 1 -3  7  21 o 5.148962  0.5361548     30.14132       7.439723  28.46982       7.710993      0.1864576      1.072310  
1 1 1 -3  7  22 o 5.364161  0.5701238     37.06791       8.193597  29.48678       8.512917      0.7645900      1.140248  
1 1 1 -3  7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  7  24 o 1.723226  0.5886438     2.109545       8.848303  -12.17859      9.214919      0.4454825      1.177288  
1 1 1 -3  9  1  o 18.35964  0.6462774     372.8601       33.39084  305.6159       33.33570      1.838770       1.292555  
1 1 1 -3  9  2  o 35.42903  1.437209      1379.528       133.6158  1183.362       154.0807      2.934824       2.874417  
1 1 1 -3  9  3  o 18.76220  0.7030144     382.9483       37.12766  326.6805       37.09482      1.505925       1.406029  
1 1 1 -3  9  4  o 25.13550  0.9634201     670.1328       68.21769  613.8447       68.17665      1.123634       1.926840  
1 1 1 -3  9  5  o 23.12917  0.8960460     554.7448       58.39500  534.3039       58.37864      0.4431952      1.792092  
1 1 1 -3  9  6  o 14.88585  0.5682781     233.7333       23.83058  213.6248       23.81616      0.6778601      1.136556  
1 1 1 -3  9  7  o 4.973994  0.2129422     27.11808       2.959708  22.49265       2.989625      0.4680343      0.4258843 
1 1 1 -3  9  8  o 7.176055  0.2908850     55.63156       5.858070  47.76155       5.882314      0.5512976      0.5817701 
1 1 1 -3  9  9  o 9.612428  0.3735541     97.10636       10.09876  88.76946       10.12351      0.4355128      0.7471083 
1 1 1 -3  9  10 o 4.441467  0.2438498     23.24119       2.939537  16.37516       3.073710      0.7838697      0.4876996 
1 1 1 -3  9  11 o 30.38753  1.167716      970.2788       99.98138  939.0231       99.97089      0.5157942      2.335433  
1 1 1 -3  9  12 o 18.33615  0.7110950     365.4802       36.70912  315.6243       36.65961      1.365300       1.422190  
1 1 1 -3  9  13 o 11.48966  0.4589213     142.1253       14.81654  123.7300       14.85132      0.8045450      0.9178426 
1 1 1 -3  9  14 o 4.028016  0.3622197     15.52563       3.900024  17.61162       4.166559      -0.2578863     0.7244393 
1 1 1 -3  9  15 o 8.118760  0.3722393     70.84381       8.420932  61.94676       8.562814      0.5527280      0.7444786 
1 1 1 -3  9  16 o 3.595708  0.5361062     17.68009       5.432280  9.056297       5.296111      1.178911       1.072212  
1 1 1 -3  9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  9  18 o 2.944852  0.6338983     10.90589       5.642581  6.855188       6.124062      0.5094618      1.267797  
1 1 1 -3  9  19 o 3.811893  0.5880670     22.18644       6.289739  8.626916       6.701595      1.683477       1.176134  
1 1 1 -3  9  20 o 3.849450  0.6134754     23.64900       6.727632  8.848199       7.195285      1.782154       1.226951  
1 1 1 -3  9  21 o 2.206624  0.6460713     7.463064       6.938180  -3.045335      7.335077      0.7622326      1.292143  
1 1 1 -3  9  22 o 4.388858  0.6950868     23.95716       8.175762  26.53916       8.662487      -0.2187829     1.390174  
1 1 1 -3  9  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  9  24 o 2.040207  0.6761832     3.684019       9.328585  6.083146       10.33400      -0.1198981     1.352366  
1 1 1 -3  11 1  o 12.98596  0.4507273     179.8899       16.49543  159.1103       16.48063      0.8028250      0.9014545 
1 1 1 -3  11 2  o 14.19128  0.5234333     226.6028       20.88133  179.3649       20.82926      1.671927       1.046867  
1 1 1 -3  11 3  o 9.179264  0.3400982     93.04997       8.780074  76.19382       8.769880      0.9223404      0.6801964 
1 1 1 -3  11 4  f 6.223326  0.2414204     44.45953       4.210393  33.38277       4.203688      0.8947496      0.4828408 
1 1 1 -3  11 5  o 13.87564  0.5298063     207.6927       20.70089  180.9333       20.67750      0.9682510      1.059613  
1 1 1 -3  11 6  o 15.94156  0.6116725     275.2116       27.45790  239.3139       27.42269      1.130561       1.223345  
1 1 1 -3  11 7  f 11.27044  0.4262547     136.5807       13.52477  119.1765       13.51857      0.7753475      0.8525094 
1 1 1 -3  11 8  o 15.16484  0.5839273     250.1460       24.92704  214.7300       24.89798      1.172784       1.167855  
1 1 1 -3  11 9  f 16.51540  0.6317772     293.0460       29.37976  258.6130       29.36128      1.046694       1.263554  
1 1 1 -3  11 10 o 14.37540  0.5575332     223.8873       22.54976  192.9147       22.54766      1.082193       1.115066  
1 1 1 -3  11 11 o 7.716545  0.3299778     66.24541       7.094764  53.31006       7.193532      0.8441953      0.6599557 
1 1 1 -3  11 12 o 26.52156  1.041660      751.9039       77.81988  697.2941       77.77143      1.032897       2.083319  
1 1 1 -3  11 13 o 30.36402  1.210699      1018.533       103.5268  913.9128       103.3995      1.728382       2.421397  
1 1 1 -3  11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  11 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  11 16 o 8.040509  0.4030900     72.05579       8.956827  58.81490       9.206924      0.8341721      0.8061799 
1 1 1 -3  11 17 o 3.197174  0.6134188     13.53278       5.634783  7.491616       6.161149      0.7944504      1.226838  
1 1 1 -3  11 18 o 2.993876  0.6626292     10.79829       5.999285  7.954397       6.663037      0.3324240      1.325258  
1 1 1 -3  11 19 o 3.790883  0.6355491     19.20413       6.571993  12.21764       7.232284      0.8882979      1.271098  
1 1 1 -3  11 20 o 5.471438  0.5726131     45.96306       7.968839  20.97621       8.452952      2.390936       1.145226  
1 1 1 -3  11 21 o 2.572271  0.7146884     5.270635       7.312483  9.589277       8.050125      -0.4148018     1.429377  
1 1 1 -3  11 22 o 3.113016  1.023958      32.22494       22.38572  14.14471       21.77456      0.5133697      2.047917  
1 1 1 -3  11 23 o 1.898276  0.6407251     -3.462034      9.137254  1.732535       10.11914      -0.2478191     1.281450  
1 1 1 -3  13 1  o 8.119642  0.3078871     72.37823       7.028615  60.03965       7.028036      0.7633884      0.6157743 
1 1 1 -3  13 2  o 17.92974  0.7010058     363.4190       38.07426  293.4462       32.89280      1.910569       1.402012  
1 1 1 -3  13 3  f 5.401971  0.2116696     32.91151       3.185581  25.64713       3.226630      0.6764893      0.4233391 
1 1 1 -3  13 4  o 4.761426  0.1971793     23.83405       2.629709  21.64626       2.654619      0.2310032      0.3943586 
1 1 1 -3  13 5  o 29.11310  1.130021      920.6109       92.67079  839.4343       92.59326      1.398658       2.260043  
1 1 1 -3  13 6  f 12.80633  0.4883755     172.1849       17.61394  158.5727       17.61648      0.5334204      0.9767511 
1 1 1 -3  13 7  o 38.37107  1.527143      1599.546       165.0561  1522.910       165.0087      1.001481       3.054286  
1 1 1 -3  13 8  o 8.952806  0.3543106     85.07172       8.894926  75.93489       8.961915      0.5129585      0.7086212 
1 1 1 -3  13 9  o 12.00697  0.4575170     161.1995       15.42687  129.0585       15.42493      1.345129       0.9150341 
1 1 1 -3  13 10 o 9.510689  0.3808080     99.89697       10.15034  81.90675       10.19786      0.9511908      0.7616160 
1 1 1 -3  13 11 o 9.542783  0.3936651     105.1550       10.46982  78.34081       10.54414      1.414329       0.7873302 
1 1 1 -3  13 12 o 19.85683  0.7818501     432.8571       43.69149  372.7223       43.64959      1.520890       1.563700  
1 1 1 -3  13 13 o 3.779239  0.5766460     21.76248       6.527179  8.254752       5.783858      1.718106       1.153292  
1 1 1 -3  13 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  13 15 o 6.967458  0.3911152     53.16983       7.406653  44.93166       7.868367      0.6047877      0.7822304 
1 1 1 -3  13 16 o 16.16807  0.6636909     319.7673       29.93836  227.3244       29.89547      2.875804       1.327382  
1 1 1 -3  13 17 o 3.289949  0.6529443     12.33456       6.008121  11.11045       6.752085      0.1562245      1.305889  
1 1 1 -3  13 18 o 7.797076  0.4692630     80.40629       9.702304  47.62066       10.16560      2.152540       0.9385260 
1 1 1 -3  13 19 o 1.631482  0.5452152     -14.58011      6.895513  -1.192757      7.694235      -0.6917785     1.090430  
1 1 1 -3  13 20 o 3.127495  0.7084498     18.42624       7.613754  4.188555       8.415156      1.425416       1.416900  
1 1 1 -3  13 21 o 2.275472  0.7047232     3.675982       8.184494  4.113282       9.168505      -0.8617283E-01 1.409446  
1 1 1 -3  13 22 f 2.146135  0.6920642     9.074566       9.332505  -3.790972      10.31447      0.5535702      1.384128  
1 1 1 -3  15 1  o 20.13026  0.7515050     455.4362       42.53320  368.8542       42.46963      2.160223       1.503010  
1 1 1 -3  15 2  o 1.500114  0.2107956     2.392170       0.8169873 2.251024       0.9219325     0.5131861E-01  0.4215913 
1 1 1 -3  15 3  o 18.79226  0.7053549     384.7451       37.33231  331.5294       37.27002      1.421500       1.410710  
1 1 1 -3  15 4  o 10.11710  0.3840474     111.6076       10.93534  94.14856       10.92114      0.8667130      0.7680949 
1 1 1 -3  15 5  o 19.79694  0.7501035     407.8144       41.84706  388.2829       41.83102      0.4947579      1.500207  
1 1 1 -3  15 6  o 9.164593  0.3503170     89.58959       9.019437  79.08502       9.055591      0.5757645      0.7006339 
1 1 1 -3  15 7  o 4.692274  0.2446437     23.88600       3.068687  20.10959       3.384712      0.4099593      0.4892875 
1 1 1 -3  15 8  o 13.74929  0.5309234     211.6756       20.50448  169.6544       20.49001      1.535848       1.061847  
1 1 1 -3  15 9  o 6.167933  0.3005262     45.35283       5.051223  31.24621       5.238054      1.156141       0.6010525 
1 1 1 -3  15 10 f 18.84626  0.7314977     393.1786       38.78493  329.7267       38.73567      1.691078       1.462995  
1 1 1 -3  15 11 o 5.174047  0.3478452     34.00003       4.689413  20.15455       5.068408      1.370183       0.6956904 
1 1 1 -3  15 12 o 6.757651  0.3639302     55.15276       6.682652  37.14661       6.926313      1.350715       0.7278604 
1 1 1 -3  15 13 f 14.40980  0.5960731     255.1531       23.84530  171.3206       23.86584      2.928206       1.192146  
1 1 1 -3  15 14 o 3.682511  0.8426854     12.85187       7.828703  15.77276       14.46430      -0.5369039     1.685371  
1 1 1 -3  15 15 o 13.30903  0.5651399     212.9920       20.91965  153.8092       21.04646      2.241303       1.130280  
1 1 1 -3  15 16 o 1.697922  0.5577437     -4.138267      6.117495  -6.310613      6.818708      -0.9729245E-03 1.115487  
1 1 1 -3  15 17 o 8.472227  0.4747735     84.68259       10.93582  65.30157       11.50366      1.179739       0.9495469 
1 1 1 -3  15 18 o 7.593414  0.5185699     79.73407       10.24338  45.29286       10.85921      2.349539       1.037140  
1 1 1 -3  15 19 o 2.497366  0.7196243     2.093205       7.668817  9.591864       8.808290      -0.6646178     1.439249  
1 1 1 -3  15 20 o 2.932680  0.7773266     15.52191       8.600675  7.844103       9.606448      0.6665579      1.554653  
1 1 1 -3  15 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  15 22 o 2.572830  0.7710003     27.04412       11.00369  -2.900315      14.45775      1.393832       1.542001  
1 1 1 -3  17 1  o 21.61913  0.8200384     494.1552       49.92296  456.5102       49.94848      0.8739674      1.640077  
1 1 1 -3  17 2  o 6.416349  0.2629995     45.41742       4.757831  37.21954       4.722112      0.6420169      0.5259990 
1 1 1 -3  17 3  o 8.271371  0.3155248     81.33517       7.300544  56.65606       7.255791      1.499676       0.6310496 
1 1 1 -3  17 4  o 23.11483  0.9413813     550.5007       57.30311  541.6213       66.22495      0.2723774      1.882763  
1 1 1 -3  17 5  o 8.377751  0.3288098     73.69852       7.703454  67.24557       7.810082      0.3873960      0.6576195 
1 1 1 -3  17 6  o 3.751316  0.2557454     13.79255       2.557413  14.72470       2.819317      -0.1212189     0.5114908 
1 1 1 -3  17 7  o 9.375171  0.3702293     99.01069       9.691059  77.78890       9.780319      1.138773       0.7404587 
1 1 1 -3  17 8  o 31.44974  1.230118      1083.929       108.9830  991.0226       108.8693      1.481237       2.460237  
1 1 1 -3  17 9  o 12.06356  0.4767344     160.4637       16.12481  133.3830       16.20248      1.128885       0.9534688 
1 1 1 -3  17 10 o 6.691916  0.3428643     48.45353       6.278515  41.58627       6.602260      0.5211185      0.6857287 
1 1 1 -3  17 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  17 12 o 1.840210  0.5499073     -0.9816084     4.688809  1.823447       5.303597      -0.3674202     1.099815  
1 1 1 -3  17 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  17 14 o 11.34199  0.4999578     152.6011       15.68678  112.5324       15.97235      1.785932       0.9999156 
1 1 1 -3  17 15 o 7.828764  0.4740956     80.25214       9.811866  47.61623       10.34700      2.133703       0.9481912 
1 1 1 -3  17 16 o 8.517435  0.4845720     87.49656       11.12312  64.81640       11.82773      1.378507       0.9691440 
1 1 1 -3  17 17 o 7.497476  0.5432953     79.55616       10.41504  43.55592       11.18666      2.505086       1.086591  
1 1 1 -3  17 18 o 4.677288  0.7174914     24.70748       8.654187  30.28898       9.843796      -0.4553636     1.434983  
1 1 1 -3  17 19 o 1.893079  0.6462928     -8.358174      9.072314  -6.767967      11.91049      -0.3062657     1.292586  
1 1 1 -3  17 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  17 21 o 2.433506  0.7361181     27.14903       11.27756  -18.14897      15.04069      1.612895       1.472236  
1 1 1 -3  19 1  o 15.55731  0.5608777     253.1763       24.58199  235.8398       24.59594      0.5590529      1.121755  
1 1 1 -3  19 2  o 16.62565  0.8818455     288.4740       41.15386  278.9695       41.16845      0.2877124      1.763691  
1 1 1 -3  19 3  o 13.25350  0.7229133     193.9011       26.85365  163.6759       26.81141      1.149660       1.445827  
1 1 1 -3  19 4  o 8.314219  0.3283597     79.01105       7.631677  60.09364       7.662360      1.144338       0.6567194 
1 1 1 -3  19 5  o 15.89517  0.5836796     297.0599       28.10231  218.1799       24.18323      2.455292       1.167359  
1 1 1 -3  19 6  f 10.31794  0.3932810     122.9576       11.32339  91.86608       11.39106      1.515360       0.7865620 
1 1 1 -3  19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  19 8  o 8.260846  0.3705349     80.76682       8.386881  57.10622       8.651556      1.446265       0.7410697 
1 1 1 -3  19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  19 10 o 13.30985  0.5352901     199.0345       19.92986  162.2415       20.08471      1.392088       1.070580  
1 1 1 -3  19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  19 12 o 7.121819  0.4303242     64.37429       8.098088  39.62597       8.632098      1.776443       0.8606485 
1 1 1 -3  19 13 o 7.463636  0.4500469     69.51385       8.934699  45.33830       9.518747      1.660798       0.9000939 
1 1 1 -3  19 14 o 11.06183  0.5371250     160.0770       16.13990  99.58540       16.48441      2.773062       1.074250  
1 1 1 -3  19 15 o 2.582728  0.7167121     3.181009       7.277208  8.303123       8.256507      -0.5343530     1.433424  
1 1 1 -3  19 16 o 12.10482  0.6088701     179.9710       19.91657  149.2044       21.37744      1.395654       1.217740  
1 1 1 -3  19 17 o 3.848489  0.7400013     29.94429       9.030052  5.174747       11.51293      2.291826       1.480003  
1 1 1 -3  19 18 o 6.142467  0.7465493     59.88295       11.29217  41.22643       14.16644      2.063457       1.493099  
1 1 1 -3  19 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  19 20 o 2.657598  0.8437932     24.00760       12.26347  14.73112       16.55037      0.5762643      1.687586  
1 1 1 -3  21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  21 2  o 11.82075  0.6431295     148.6009       21.30867  136.9343       21.33952      0.4973302      1.286259  
1 1 1 -3  21 3  o 18.00355  0.9868065     359.5296       49.88237  318.4144       49.70680      1.147692       1.973613  
1 1 1 -3  21 4  o 6.562163  0.4894305     52.14939       8.615366  35.11766       9.022507      1.333509       0.9788610 
1 1 1 -3  21 5  o 9.457433  0.4724697     96.07478       12.21961  84.91476       12.89241      0.6029943      0.9449394 
1 1 1 -3  21 6  o 10.57009  0.4250129     126.0889       12.45979  99.89458       12.74142      1.249689       0.8500258 
1 1 1 -3  21 7  o 18.31129  0.6651572     350.0879       34.20147  340.7068       34.46385      0.2611462      1.330314  
1 1 1 -3  21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  21 9  o 11.92006  0.5010648     162.3225       16.44595  128.2459       17.03515      1.449743       1.002130  
1 1 1 -3  21 10 o 13.67933  0.5615474     201.6958       21.29173  185.6669       21.96738      0.6046519      1.123095  
1 1 1 -3  21 11 o 2.222894  0.6504581     3.544589       6.021434  -0.8388457     7.719241      0.1316421      1.300916  
1 1 1 -3  21 12 o 5.090649  0.5753994     31.70357       7.307090  22.51154       8.956397      1.017869       1.150799  
1 1 1 -3  21 13 o 3.753410  0.6092999     29.23801       7.447747  -3.199417      9.338517      3.028907       1.218600  
1 1 1 -3  21 14 o 9.693296  0.5472259     112.2642       13.97157  91.84821       15.74047      1.180435       1.094452  
1 1 1 -3  21 15 o 7.325384  0.6410097     76.30863       11.33320  47.20158       13.62505      2.285035       1.282019  
1 1 1 -3  21 16 o 3.628029  0.8671488     21.60261       9.790897  17.45569       12.31790      0.5201303      1.734298  
1 1 1 -3  21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  21 18 o 3.505366  0.8050060     42.55469       11.96209  -1.660423      15.48826      2.767975       1.610012  
1 1 1 -3  23 1  o 8.952737  0.4026340     79.24368       12.23047  82.43911       8.849523      -0.2265424     0.8052679 
1 1 1 -3  23 2  o 2.292275  0.6186574     3.025140       5.360650  4.724249       5.839796      -0.2468055     1.237315  
1 1 1 -3  23 3  o 4.782237  0.7798892     33.20485       9.904902  11.60737       13.27067      1.964650       1.559778  
1 1 1 -3  23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  23 5  o 6.534541  0.6528524     43.88300       8.418089  ?              ?             ?              ?         
1 1 1 -3  23 6  o 14.35954  0.5200042     213.0083       20.78692  211.0976       21.32192      0.7716855E-01  1.040008  
1 1 1 -3  23 7  o 5.823404  0.3811663     35.03521       5.721719  34.30822       6.837795      0.8960205E-01  0.7623327 
1 1 1 -3  23 8  o 8.584424  0.4106198     81.97776       9.368269  68.24699       10.45954      0.8334680      0.8212396 
1 1 1 -3  23 9  o 4.407673  0.5334731     22.61540       5.962746  18.04326       7.050530      0.5838647      1.066946  
1 1 1 -3  23 10 o 12.09754  0.5233955     169.1679       17.30329  139.0343       18.23684      1.291079       1.046791  
1 1 1 -3  23 11 o 6.960779  0.5012113     47.49295       8.879844  57.22432       10.76593      -0.6078618     1.002423  
1 1 1 -3  23 12 o 6.093063  0.5806003     44.57692       8.829865  36.69592       10.90566      0.8310186      1.161201  
1 1 1 -3  23 13 o 2.653429  0.7550008     11.32384       8.340561  -2.315578      10.99132      0.7544143      1.510002  
1 1 1 -3  23 14 o 3.467181  0.8635281     17.47972       9.522005  17.84530       11.98547      0.7822062E-01  1.727056  
1 1 1 -3  23 15 o 3.744524  0.8502994     31.24352       10.62750  12.15032       13.54198      1.721971       1.700599  
1 1 1 -3  23 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  25 1  o 3.071468  0.6904324     7.638483       6.905755  11.97243       6.777789      -0.5111479     1.380865  
1 1 1 -3  25 2  o 7.773643  0.5692704     62.24844       12.41902  64.83856       12.24854      -0.1743139     1.138541  
1 1 1 -3  25 3  o 10.44333  0.6541684     130.4143       19.49244  101.8285       18.59686      1.351017       1.308337  
1 1 1 -3  25 4  o 7.428994  0.7358706     60.33620       16.40312  60.65708       13.97302      -0.1427274     1.471741  
1 1 1 -3  25 5  o 4.464622  0.9050938     24.30975       12.17823  22.47581       11.86956      0.1665568      1.810188  
1 1 1 -3  25 6  o 9.117036  0.4115387     91.95417       10.30402  79.48766       10.79009      0.7035056      0.8230774 
1 1 1 -3  25 7  o 4.747378  0.5614869     29.73420       7.992133  19.81147       6.555830      0.9851386      1.122974  
1 1 1 -3  25 8  o 2.972886  0.6525396     10.14012       5.497196  9.472847       6.899745      0.6746119E-01  1.305079  
1 1 1 -3  25 9  o 2.352303  0.6435015     8.380212       5.996603  -2.615620      7.725613      0.7742856      1.287003  
1 1 1 -3  25 10 o 1.984824  0.6287692     -3.158484      6.584074  1.982760       8.381046      -0.5343403     1.257538  
1 1 1 -3  25 11 o 4.651144  0.6809437     37.96780       8.453043  14.14778       10.52509      2.530539       1.361887  
1 1 1 -3  25 12 o 2.840158  0.8040778     9.961642       8.705420  11.08487       11.24011      -0.1144699     1.608156  
1 1 1 -3  25 13 o 4.263250  0.9048052     27.74823       10.51018  34.18581       13.60610      -0.1119294     1.809610  
1 1 1 -3  25 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  27 1  o 2.243840  0.6638159     8.612948       8.596396  -6.744613      7.525395      1.163506       1.327632  
1 1 1 -3  27 2  o 2.020214  0.6535476     -7.334405      8.276067  -0.1973097     8.808267      -0.4334575     1.307095  
1 1 1 -3  27 3  o 4.072328  0.8220772     13.85269       10.05905  26.51583       10.47672      -1.251858      1.644154  
1 1 1 -3  27 4  o 3.486758  0.8630844     3.646917       10.86098  25.53729       12.42100      -1.759577      1.726169  
1 1 1 -3  27 5  f 5.633320  0.9626716     44.35357       14.90616  40.05056       15.52915      0.4252849      1.925343  
1 1 1 -3  27 6  o 4.845570  1.037103      38.59773       15.05105  29.57492       16.57040      0.8371748      2.074205  
1 1 1 -3  27 7  o 4.129592  1.060179      26.98436       15.06381  27.17074       17.14568      0.8482648E-01  2.120357  
1 1 1 -3  27 8  o 2.805722  0.9227012     0.9009770      16.71589  4.346466       18.77635      -0.1948540     1.845402  
1 1 1 -3  27 9  o 3.572497  1.079491      25.95260       18.17571  24.38498       20.86946      0.1453401      2.158983  
1 1 1 -3  27 10 o 3.025841  0.9922435     26.30564       19.92500  3.638714       22.41463      0.6583669      1.984487  
1 1 1 -3  27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  27 12 o 2.840665  0.9783363     40.09647       24.60037  17.54006       27.08338      0.4602703      1.956673  
1 1 1 -3  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  29 5  o 3.579985  1.678422      ?              ?         40.32992       30.28559      ?              ?         
1 1 1 -3  29 6  o 2.466399  0.8413925     5.146582       16.67106  -10.30160      19.26414      0.2778135      1.682785  
1 1 1 -3  29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  29 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -3  29 9  o 2.894886  0.8044865     12.73083       8.278315  21.64912       11.47115      -0.4433550     1.608973  
1 1 1 -3  31 1  o 2.066500  0.7219855     -43.48432      26.57706  0.1734976      11.85814      -0.7662852E-01 1.443971  
1 1 1 -3  31 2  o 2.495695  0.8171341     3.936382       16.06400  14.84492       12.63928      -0.3751150     1.634268  
1 1 1 -2  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  0  5  o 58.75096  4.776639      3662.308       552.4501  3662.308       552.4501      ?              ?         
1 1 1 -2  0  6  o 26.94462  1.716587      739.4203       91.63388  739.4203       91.63388      ?              ?         
1 1 1 -2  0  7  o 11.88415  0.7202086     142.9785       16.97264  142.9785       16.97264      ?              ?         
1 1 1 -2  0  8  o 18.78692  1.026053      357.4211       38.28811  357.4211       38.28811      ?              ?         
1 1 1 -2  0  9  o 30.82476  1.686069      972.8366       103.2296  972.8366       103.2296      ?              ?         
1 1 1 -2  0  10 o 8.813030  0.4857858     78.50062       8.502597  78.50062       8.502597      ?              ?         
1 1 1 -2  0  11 o 36.54009  1.992203      1385.803       144.5947  1385.803       144.5947      ?              ?         
1 1 1 -2  0  12 o 0.7788711 0.5126950     -0.4003011     2.032763  -0.4003011     2.032763      ?              ?         
1 1 1 -2  0  13 o 17.12200  0.9357113     297.2507       31.82227  297.2507       31.82227      ?              ?         
1 1 1 -2  0  14 o 0.6005605 0.4339542     -5.159001      2.700909  -5.159001      2.700909      ?              ?         
1 1 1 -2  0  15 o 12.81046  0.7137810     166.1881       18.15695  166.1881       18.15695      ?              ?         
1 1 1 -2  0  16 o 7.308532  0.4750831     54.19253       6.876097  54.19253       6.876097      ?              ?         
1 1 1 -2  0  17 o 9.946304  0.5874060     100.3526       11.59087  100.3526       11.59087      ?              ?         
1 1 1 -2  0  18 o 10.42183  0.6216614     110.4383       12.85110  110.4383       12.85110      ?              ?         
1 1 1 -2  0  19 o 5.548226  0.5851648     32.03378       6.312151  32.03378       6.312151      ?              ?         
1 1 1 -2  0  20 o 6.581069  0.5909157     44.89093       7.626499  44.89093       7.626499      ?              ?         
1 1 1 -2  0  21 o 7.295631  0.6044859     55.39471       8.676000  55.39471       8.676000      ?              ?         
1 1 1 -2  0  22 o 1.361412  0.8990471     -0.5693740     6.330001  -0.5693740     6.330001      ?              ?         
1 1 1 -2  0  23 o 3.784023  1.132547      19.60992       7.464041  19.60992       7.464041      ?              ?         
1 1 1 -2  0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  0  25 o 1.931133  1.252517      9.347377       11.49743  9.347377       11.49743      ?              ?         
1 1 1 -2  2  1  o 31.16349  1.135552      1017.474       99.73939  944.1699       99.68197      1.179774       2.271105  
1 1 1 -2  2  2  o 51.82906  1.886696      2828.826       275.6316  2674.367       275.5150      1.494098       3.773392  
1 1 1 -2  2  3  o 13.01758  0.8190038     162.4024       25.70526  186.4032       36.40116      -0.8638059     1.638008  
1 1 1 -2  2  4  o 44.69011  2.525473      2063.060       316.4567  2128.778       316.6158      -0.7391343     5.050947  
1 1 1 -2  2  5  o 36.65162  2.025292      1348.464       208.1114  1436.501       208.2973      -1.208021      4.050585  
1 1 1 -2  2  6  o 41.20491  2.319060      1699.876       267.6230  1875.539       267.9808      -2.145109      4.638119  
1 1 1 -2  2  7  o 5.849185  0.3343444     36.69836       5.455306  32.07059       5.497808      0.3994672      0.6686887 
1 1 1 -2  2  8  o 16.67567  0.8921487     276.7498       41.72573  289.0389       41.79189      -0.3702757     1.784297  
1 1 1 -2  2  9  o 35.06677  2.089447      1333.015       205.2036  1378.053       205.3653      -0.6441983     4.178893  
1 1 1 -2  2  10 o 17.96973  0.9941002     323.0347       50.06398  344.0150       50.14470      -0.5867952     1.988200  
1 1 1 -2  2  11 o 14.63981  0.8028067     208.2742       32.91282  230.3408       32.99367      -0.7583077     1.605613  
1 1 1 -2  2  12 o 25.56596  1.465217      669.7546       104.8997  716.9796       105.0867      -0.9276552     2.930434  
1 1 1 -2  2  13 o 19.42768  1.087899      375.5903       59.20406  403.5711       59.31984      -0.7240225     2.175797  
1 1 1 -2  2  14 o 23.04243  1.304900      539.3859       84.23137  569.5627       84.38570      -0.6575329     2.609800  
1 1 1 -2  2  15 o 4.455457  0.3566247     21.46130       5.292101  19.42258       3.860487      0.2058426      0.7132494 
1 1 1 -2  2  16 o 21.34423  0.8290327     466.3075       49.84642  469.8780       49.86690      -0.8365494E-01 1.658065  
1 1 1 -2  2  17 o 18.23943  0.7163581     342.2082       36.79906  341.3808       36.82272      0.2307628E-01  1.432716  
1 1 1 -2  2  18 o 10.87601  0.4487785     128.2626       13.73017  111.8542       13.72467      0.7579949      0.8975571 
1 1 1 -2  2  19 o 2.380612  0.5687848     -0.4033222     5.137634  9.583234       5.166292      -1.198892      1.137570  
1 1 1 -2  2  20 o 4.015518  0.5449802     17.33358       5.945933  17.36988       5.983559      -0.2894711E-02 1.089960  
1 1 1 -2  2  21 o 11.05354  0.4919322     128.0418       15.27232  131.0507       15.32967      -0.1341524     0.9838644 
1 1 1 -2  2  22 o 6.431710  0.4670719     51.17787       8.317936  38.31216       8.305079      1.017163       0.9341438 
1 1 1 -2  2  23 o 1.575476  0.5339043     -1.616128      7.120824  -13.94420      7.250761      0.4698254      1.067809  
1 1 1 -2  2  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  2  25 o 2.225142  0.7169463     10.93724       9.313369  6.119636       11.10765      0.2347639      1.433893  
1 1 1 -2  4  1  o 7.211182  0.2584357     51.18702       5.251382  53.10323       5.255216      -0.1332151     0.5168713 
1 1 1 -2  4  2  o 13.78467  0.5023881     202.9949       19.50973  178.1839       19.48918      0.9033998      1.004776  
1 1 1 -2  4  3  o 10.28412  0.3926706     109.9182       11.37926  102.2942       11.37056      0.3719394      0.7853413 
1 1 1 -2  4  4  o 47.59107  1.832137      2367.470       245.6786  2288.930       245.6464      0.8275904      3.664274  
1 1 1 -2  4  5  o 52.97984  2.024080      2854.148       302.0399  2971.038       302.2284      -1.105397      4.048161  
1 1 1 -2  4  6  o 7.641052  0.2972732     60.65814       6.397459  56.48412       6.397233      0.2741224      0.5945464 
1 1 1 -2  4  7  o 15.27948  0.5731901     237.0835       24.67845  233.1083       24.68588      0.1304929      1.146380  
1 1 1 -2  4  8  o 10.89990  0.4098287     121.1097       12.58498  117.8544       12.59207      0.1498069      0.8196573 
1 1 1 -2  4  9  o 3.170481  0.2055614     8.892895       1.767821  11.37935       1.864410      -0.3949887     0.4111229 
1 1 1 -2  4  10 o 26.88929  1.043290      758.6213       79.04057  736.9538       79.03139      0.4040757      2.086580  
1 1 1 -2  4  11 o 14.85392  0.5761198     227.5351       24.10876  219.1173       24.10873      0.2842726      1.152240  
1 1 1 -2  4  12 o 8.773645  0.3509942     86.55849       8.648949  68.22680       8.630557      1.050357       0.7019884 
1 1 1 -2  4  13 f 39.07621  1.553702      1618.141       171.0102  1610.367       171.0484      0.1003026      3.107404  
1 1 1 -2  4  14 o 25.83897  1.179574      673.0873       74.14968  728.6641       105.0621      -0.7155807     2.359148  
1 1 1 -2  4  15 o 15.93100  0.8921892     245.8124       39.74163  275.6772       39.91547      -0.9426686     1.784378  
1 1 1 -2  4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  4  17 o 3.806656  1.210387      ?              ?         14.87046       10.36278      ?              ?         
1 1 1 -2  4  18 o 4.674679  0.6144912     21.28348       7.902050  24.67226       7.750144      -0.3736222     1.228982  
1 1 1 -2  4  19 o 7.515451  0.5612890     60.44724       11.69267  57.34944       11.80235      0.2118286      1.122578  
1 1 1 -2  4  20 o 6.651042  0.5977151     50.27686       10.94287  44.28418       10.99720      0.4621325      1.195430  
1 1 1 -2  4  21 o 7.648068  0.6264163     61.88766       13.28135  67.65982       13.29167      -0.3827371     1.252833  
1 1 1 -2  4  22 o 4.149017  0.8222384     22.11038       10.32890  23.17033       9.791697      -0.1522074     1.644477  
1 1 1 -2  4  23 o 2.367385  0.7457067     0.1700720      10.44337  6.483693       9.997067      -0.3084769     1.491413  
1 1 1 -2  4  24 o 2.314347  0.7924768     4.408675       17.34414  -0.1682499     14.67342      0.1816068      1.584954  
1 1 1 -2  4  25 o 1.754830  0.6156130     -9.959530      11.73388  -1.739478      11.56839      -0.1730159     1.231226  
1 1 1 -2  6  1  o 25.54296  0.9253852     669.8083       66.65439  646.3231       66.59571      0.4608128      1.850770  
1 1 1 -2  6  2  o 18.53607  0.6671692     363.1915       34.85587  327.3160       34.81822      0.9710221      1.334338  
1 1 1 -2  6  3  o 26.83958  1.029874      734.6135       77.89716  722.6472       77.87597      0.2235130      2.059747  
1 1 1 -2  6  4  o 36.43616  1.410621      1401.527       144.7988  1307.212       144.7238      1.298499       2.821242  
1 1 1 -2  6  5  o 32.59810  1.257098      1080.037       115.4535  1086.569       115.4804      -0.1003392     2.514197  
1 1 1 -2  6  6  o 27.19937  1.040748      756.8154       79.76801  747.4600       79.76537      0.1724806      2.081497  
1 1 1 -2  6  7  o 14.22516  0.5425195     206.1696       21.74272  201.6664       21.74999      0.1588001      1.085039  
1 1 1 -2  6  8  o 8.136193  0.3158982     71.91721       7.229153  60.97782       7.228048      0.6754438      0.6317965 
1 1 1 -2  6  9  o 23.99341  0.9142057     609.7371       61.80254  571.2665       61.77714      0.8041849      1.828411  
1 1 1 -2  6  10 o 12.44416  0.4838163     160.2943       16.95612  152.3477       16.96320      0.3204245      0.9676327 
1 1 1 -2  6  11 o 18.28748  0.7061558     353.4277       36.37927  325.6668       36.35689      0.7616554      1.412312  
1 1 1 -2  6  12 o 3.236376  0.2877440     11.89985       2.511194  9.180367       2.614536      0.4335296      0.5754881 
1 1 1 -2  6  13 o 30.60143  1.204762      979.9176       103.8537  959.5910       103.8672      0.3333319      2.409525  
1 1 1 -2  6  14 o 7.686950  0.3301321     62.70150       7.100020  56.01594       7.175457      0.4376419      0.6602641 
1 1 1 -2  6  15 o 4.338650  0.3331556     20.35728       3.935493  17.64885       4.099177      0.3201958      0.6663111 
1 1 1 -2  6  16 o 5.412634  0.3412822     31.44285       5.077504  27.65400       5.252620      0.3563420      0.6825644 
1 1 1 -2  6  17 o 10.80680  0.4484462     127.2508       13.59632  109.3373       13.65483      0.8338709      0.8968925 
1 1 1 -2  6  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  6  19 o 14.64350  0.6047772     247.6416       24.88504  201.0718       24.83243      1.597699       1.209554  
1 1 1 -2  6  20 o 4.774028  0.5019329     21.83146       6.368150  26.68468       6.740902      -0.5023825     1.003866  
1 1 1 -2  6  21 o 7.341147  0.4472417     58.83751       9.046125  55.67768       9.346086      0.2326457      0.8944834 
1 1 1 -2  6  22 o 4.717528  0.5935991     26.21692       7.474720  26.12955       7.798253      0.4432018E-01  1.187198  
1 1 1 -2  6  23 o 1.783505  0.5934877     -1.642928      7.516188  -5.807432      7.978422      0.1382907      1.186975  
1 1 1 -2  6  24 o 2.479082  0.7845590     10.32085       8.778137  9.295895       17.69379      0.4816240E-01  1.569118  
1 1 1 -2  8  1  o 30.36329  1.039377      1079.815       95.56623  797.4584       82.38348      4.604840       2.078755  
1 1 1 -2  8  2  o 31.61436  1.168591      1074.031       104.0620  954.5184       104.0001      1.897200       2.337182  
1 1 1 -2  8  3  o 15.78499  0.6009346     260.7408       26.72429  240.5140       26.71054      0.6429552      1.201869  
1 1 1 -2  8  4  o 12.88758  0.4933175     176.2616       17.90737  157.4417       17.89122      0.7330394      0.9866350 
1 1 1 -2  8  5  o 23.23674  0.8732743     567.7491       57.18322  526.2189       57.14156      0.8964967      1.746549  
1 1 1 -2  8  6  o 14.75614  0.5669468     226.6136       23.56789  212.4675       23.56299      0.4809625      1.133894  
1 1 1 -2  8  7  o 21.27431  0.8116564     467.5442       48.65483  454.3062       48.65490      0.3120809      1.623313  
1 1 1 -2  8  8  o 10.86141  0.4193689     124.4125       12.81861  113.1277       12.83329      0.5216236      0.8387378 
1 1 1 -2  8  9  o 5.929262  0.2503473     35.33360       4.149243  35.35927       4.210061      -0.1701772E-02 0.5006946 
1 1 1 -2  8  10 o 9.125494  0.3600132     91.18983       9.232993  76.20325       9.237495      0.8252891      0.7200264 
1 1 1 -2  8  11 o 7.071950  0.3008181     56.34526       5.934050  44.09916       5.991384      0.8718167      0.6016362 
1 1 1 -2  8  12 o 4.626674  0.2791943     27.58180       3.458166  15.84512       3.562217      1.288663       0.5583885 
1 1 1 -2  8  13 o 3.028285  0.3641639     8.018697       2.862153  10.85273       3.134397      -0.4718525     0.7283279 
1 1 1 -2  8  14 o 13.84137  0.5432269     208.8865       21.15515  178.1476       21.13948      1.115570       1.086454  
1 1 1 -2  8  15 o 3.000663  1.081018      7.799479       8.289354  ?              ?             ?              ?         
1 1 1 -2  8  16 o 9.905334  0.4198941     108.6212       11.63362  89.58956       11.72573      0.9673924      0.8397883 
1 1 1 -2  8  17 o 9.612760  0.4238412     108.3123       11.34191  79.39409       11.41320      1.515964       0.8476824 
1 1 1 -2  8  18 o 3.413876  0.5507776     17.70371       5.370688  6.164459       5.728761      1.545282       1.101555  
1 1 1 -2  8  19 o 5.220743  0.4618887     28.99895       6.479162  27.94329       6.878505      0.1178766      0.9237774 
1 1 1 -2  8  20 o 6.630679  0.4509746     55.09495       8.089898  37.06005       8.356950      1.396602       0.9019491 
1 1 1 -2  8  21 o 3.490233  0.6782116     10.85925       6.746171  18.34150       7.295615      -0.8964848     1.356423  
1 1 1 -2  8  22 o 2.893743  0.7172925     14.51935       7.424300  6.449812       7.808994      0.8198709      1.434585  
1 1 1 -2  8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  8  24 o 2.271608  0.7280756     3.482498       9.058897  16.00765       11.67459      -0.6096315     1.456151  
1 1 1 -2  10 1  o 14.22622  0.5289233     222.2883       21.17604  184.6879       21.14132      1.327347       1.057847  
1 1 1 -2  10 2  o 1.689772  0.1398127     2.213138       0.5848014 3.640812       0.7179615     -0.4247125     0.2796255 
1 1 1 -2  10 3  o 33.75495  1.315466      1191.463       125.1147  1158.675       125.0783      0.4869144      2.630931  
1 1 1 -2  10 4  o 36.96730  1.456878      1438.696       151.7456  1415.796       151.7009      0.3102340      2.913756  
1 1 1 -2  10 5  o 14.76735  0.5465453     230.5915       22.74216  209.2998       22.72474      0.7234135      1.093091  
1 1 1 -2  10 6  o 28.18010  1.077031      838.2706       85.51064  803.5406       85.51233      0.6182082      2.154062  
1 1 1 -2  10 7  o 12.15395  0.4684015     150.3545       16.02513  147.8111       16.05630      0.1051755      0.9368029 
1 1 1 -2  10 8  o 22.32780  0.8614490     528.2229       54.18729  492.6206       54.16186      0.7998520      1.722898  
1 1 1 -2  10 9  o 6.973579  0.2909311     52.29755       5.677454  45.31483       5.732863      0.5037108      0.5818623 
1 1 1 -2  10 10 o 17.22713  0.6671252     315.3154       32.36283  285.5938       32.35474      0.8660039      1.334250  
1 1 1 -2  10 11 o 38.68839  1.536600      1596.957       167.4348  1563.317       167.4889      0.4368944      3.073200  
1 1 1 -2  10 12 o 18.68280  0.7279610     371.2532       38.29501  336.8824       38.28917      0.9234807      1.455922  
1 1 1 -2  10 13 o 8.566628  0.3671038     88.21374       8.718941  60.06820       8.767155      1.654666       0.7342075 
1 1 1 -2  10 14 o 23.44554  0.9227771     606.6691       60.90431  527.3836       60.82996      1.697683       1.845554  
1 1 1 -2  10 15 o 1.918875  0.5268694     0.9440666      3.959202  3.788469       4.384382      -0.4177796     1.053739  
1 1 1 -2  10 16 o 10.46389  0.4462987     124.1808       13.03523  97.85357       13.14804      1.267528       0.8925975 
1 1 1 -2  10 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  10 18 o 7.434021  0.4133123     56.94143       8.406092  56.59339       8.852287      0.3421791E-01  0.8266245 
1 1 1 -2  10 19 o 10.02944  0.4727077     116.0299       13.16613  93.78851       13.40606      1.125812       0.9454153 
1 1 1 -2  10 20 o 5.867263  0.5160809     47.22784       7.871060  26.95145       8.315769      1.809891       1.032162  
1 1 1 -2  10 21 o 2.691478  0.7157423     7.569750       7.154439  8.911045       7.664042      -0.1488493     1.431485  
1 1 1 -2  10 22 o 3.941041  0.7846692     19.94898       8.203947  26.24043       10.27752      -0.4015391     1.569338  
1 1 1 -2  10 23 o 1.934167  0.6521395     -1.926899      8.777418  -1.536384      11.19105      -0.1649619     1.304279  
1 1 1 -2  12 1  o 1.087979  0.1854205     0.6012887      0.6383108 1.707685       0.5735397     -0.4454341     0.3708410 
1 1 1 -2  12 2  o 6.163925  0.2328580     41.16772       4.038059  35.03071       4.037869      0.5000494      0.4657159 
1 1 1 -2  12 3  o 14.58263  0.5510072     232.9592       22.61707  196.4420       22.58270      1.257527       1.102014  
1 1 1 -2  12 4  o 16.35453  0.6202897     285.6695       28.57587  255.9715       28.55168      0.9113445      1.240579  
1 1 1 -2  12 5  o 7.861944  0.3042521     68.46989       6.711112  55.69069       6.728403      0.8169862      0.6085042 
1 1 1 -2  12 6  f 28.31190  1.090697      851.1644       86.99454  811.8160       86.99086      0.6971623      2.181394  
1 1 1 -2  12 7  o 4.073099  0.2194472     19.95082       2.406933  13.41193       2.535784      0.8139653      0.4388945 
1 1 1 -2  12 8  o 8.636366  0.3464919     79.04807       8.393512  70.81412       8.450824      0.4792148      0.6929839 
1 1 1 -2  12 9  o 10.50578  0.4150687     117.6464       12.25076  104.3138       12.29425      0.6376308      0.8301374 
1 1 1 -2  12 10 o 4.730350  0.2678482     25.75924       3.437100  19.10117       3.619730      0.7147149      0.5356963 
1 1 1 -2  12 11 o 21.99676  0.8554894     532.9199       52.95892  453.3181       52.89141      1.817352       1.710979  
1 1 1 -2  12 12 o 23.26652  0.9141563     601.3064       59.84990  508.7145       59.76081      1.998550       1.828313  
1 1 1 -2  12 13 o 14.18416  0.5589983     218.2681       22.29308  189.1347       22.31981      1.032011       1.117997  
1 1 1 -2  12 14 o 15.55205  0.6242176     275.6423       27.23956  217.5453       27.22526      1.878121       1.248435  
1 1 1 -2  12 15 o 14.90806  0.6018071     246.1395       25.19235  208.3460       25.25085      1.274942       1.203614  
1 1 1 -2  12 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  12 17 o 4.155082  0.5442636     26.24374       5.964202  9.849648       6.566463      1.976540       1.088527  
1 1 1 -2  12 18 o 2.245331  0.6420876     3.919269       5.984365  1.517901       6.778482      0.1210459      1.284175  
1 1 1 -2  12 19 o 7.872211  0.4825900     83.05095       10.14198  49.11319       10.48369      2.205379       0.9651800 
1 1 1 -2  12 20 f 3.275328  0.7285830     14.26939       7.190156  11.87852       8.073648      0.2918827      1.457166  
1 1 1 -2  12 21 o 2.513230  0.7382266     7.562051       7.838554  4.826423       9.829835      0.1038813      1.476453  
1 1 1 -2  12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  12 23 o 2.724836  0.8024797     22.77748       10.18595  9.315149       13.00119      0.9157168      1.604959  
1 1 1 -2  14 1  o 9.001282  0.3660199     93.58561       8.530878  68.98000       9.822695      1.387627       0.7320397 
1 1 1 -2  14 2  o 10.89396  0.5859836     127.3151       17.91689  113.3482       17.88400      0.6454641      1.171967  
1 1 1 -2  14 3  o 11.67889  0.4713256     138.9226       14.48617  136.0537       16.77086      0.1401630      0.9426513 
1 1 1 -2  14 4  o 8.225163  0.3058830     66.39935       7.068451  69.59866       7.111171      -0.1948011     0.6117659 
1 1 1 -2  14 5  o 18.05649  0.6486629     352.7773       32.99531  307.3019       32.95950      1.263895       1.297326  
1 1 1 -2  14 6  o 31.12106  1.209915      1041.921       106.0712  968.6118       106.0160      1.181500       2.419830  
1 1 1 -2  14 7  o 5.909052  0.2493123     35.88395       4.093204  34.22985       4.203149      0.1413456      0.4986246 
1 1 1 -2  14 8  o 9.213715  0.3589675     96.39500       9.247776  74.31470       9.294027      1.205101       0.7179351 
1 1 1 -2  14 9  o 11.36858  0.4616666     143.2336       14.71194  116.9482       14.76848      1.162834       0.9233333 
1 1 1 -2  14 10 o 20.67263  0.8075830     459.5938       46.99764  410.9922       46.99146      1.180398       1.615166  
1 1 1 -2  14 11 o 9.011429  0.3777711     87.34667       9.509165  75.97581       9.637634      0.6352811      0.7555423 
1 1 1 -2  14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  14 13 o 7.517128  0.3667786     63.87700       7.557230  49.91332       7.873241      0.9406553      0.7335572 
1 1 1 -2  14 14 o 7.374655  0.3758927     57.09600       7.595699  52.85706       7.987255      0.2945336      0.7517854 
1 1 1 -2  14 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  14 16 o 16.92256  0.7104098     343.3402       33.64264  263.3495       33.66211      2.378976       1.420820  
1 1 1 -2  14 17 o 4.009925  0.6237271     14.71689       6.502295  20.71812       7.287278      -0.7042376     1.247454  
1 1 1 -2  14 18 o 2.606408  0.6886369     1.884228       6.722487  10.90130       7.687853      -0.9496345     1.377274  
1 1 1 -2  14 19 o 2.804860  0.7320883     11.85212       7.329053  3.031178       9.230494      0.6881968      1.464177  
1 1 1 -2  14 20 o 2.113786  0.6813484     -2.327073      7.961884  2.048354       10.32291      -0.4371345     1.362697  
1 1 1 -2  14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  14 22 o 2.376642  0.7474178     15.99976       9.998157  -2.577885      13.09506      0.7931532      1.494836  
1 1 1 -2  16 1  o 19.03830  0.6998001     390.0726       37.54031  344.4447       37.48791      1.202610       1.399600  
1 1 1 -2  16 2  o 30.96727  1.683591      1084.750       146.2911  968.9219       146.0336      1.880383       3.367183  
1 1 1 -2  16 3  o 16.33203  0.6201271     284.5854       28.53198  254.5237       28.50020      0.9237725      1.240254  
1 1 1 -2  16 4  o 9.180608  0.3607926     90.00809       9.303404  79.30415       9.339891      0.5858062      0.7215853 
1 1 1 -2  16 5  o 3.037025  0.2243384     7.995275       1.792329  10.70734       1.992147      -0.4485874     0.4486768 
1 1 1 -2  16 6  o 9.491162  0.3682194     95.67435       9.803712  85.29195       9.872884      0.5497187      0.7364388 
1 1 1 -2  16 7  o 11.47700  0.4494931     141.6247       14.49162  123.4489       14.54032      0.7957771      0.8989861 
1 1 1 -2  16 8  o 16.14350  0.6198138     290.5251       28.12140  236.8231       28.10357      1.671389       1.239628  
1 1 1 -2  16 9  o 15.77482  0.6100186     282.4620       27.01338  221.9206       26.98371      1.928743       1.220037  
1 1 1 -2  16 10 o 4.624946  0.3306670     24.54266       4.041088  18.30368       4.444013      0.6952271      0.6613341 
1 1 1 -2  16 11 o 2.478861  0.5261878     6.412981       3.687483  6.048755       4.378873      0.2059439E-01  1.052376  
1 1 1 -2  16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  16 13 o 4.356837  0.4732955     22.49236       5.325605  15.94250       5.981581      0.7973056      0.9465909 
1 1 1 -2  16 14 o 6.898666  0.4222094     53.94985       7.811652  42.55180       8.451915      0.8509088      0.8444188 
1 1 1 -2  16 15 o 5.805929  0.5008230     46.09235       7.252553  23.90413       8.074592      1.998392       1.001646  
1 1 1 -2  16 16 f 6.431384  0.4943637     46.63836       8.154933  39.11239       9.651989      0.6589408      0.9887273 
1 1 1 -2  16 17 o 11.20328  0.5549148     149.3763       16.84588  119.8838       17.95426      1.385505       1.109830  
1 1 1 -2  16 18 o 2.912642  0.7292460     15.34561       7.735648  -1.053031      9.996131      1.249237       1.458492  
1 1 1 -2  16 19 o 2.581669  0.7182271     -6.936832      8.270592  19.90750       10.90087      -1.912035      1.436454  
1 1 1 -2  16 20 o 3.638002  0.9402800     15.41678       11.29983  38.69268       15.19420      -1.375286      1.880560  
1 1 1 -2  16 21 o 5.708266  0.9350853     69.10144       14.82532  52.90896       15.53278      1.559590       1.870171  
1 1 1 -2  18 1  o 13.33074  0.4927752     179.5946       18.52062  178.7740       18.51045      0.3080007E-01  0.9855504 
1 1 1 -2  18 2  o 20.43069  1.097720      457.5876       62.97483  403.6303       62.77959      1.328336       2.195440  
1 1 1 -2  18 3  o 17.65728  0.9433215     342.9370       46.75917  295.8869       46.60970      1.341282       1.886643  
1 1 1 -2  18 4  o 16.27101  0.6594887     279.6197       28.22046  254.0558       32.63485      0.8253562      1.318977  
1 1 1 -2  18 5  o 2.548122  0.3011431     7.204281       1.996108  5.969074       2.210912      0.2561838      0.6022862 
1 1 1 -2  18 6  o 6.149931  0.2699527     41.57679       4.532984  34.18803       4.791669      0.6072838      0.5399054 
1 1 1 -2  18 7  o 33.41931  1.303296      1207.362       122.5874  1155.508       122.7972      0.7817738      2.606591  
1 1 1 -2  18 8  o 13.63504  0.6169827     221.3956       28.01950  162.4152       19.99485      2.078833       1.233965  
1 1 1 -2  18 9  o 10.16943  0.4237821     113.3114       11.93648  95.20821       12.28714      0.8988172      0.8475642 
1 1 1 -2  18 10 o 7.383776  1.132341      57.46394       16.18924  ?              ?             ?              ?         
1 1 1 -2  18 11 o 2.389605  0.5654550     8.671173       4.632868  -0.5284989     5.633352      0.9844238      1.130910  
1 1 1 -2  18 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  18 13 o 4.039572  0.5949789     20.17298       6.082215  13.11502       7.738566      0.8895884      1.189958  
1 1 1 -2  18 14 f 8.005430  0.4811822     79.13049       9.967943  53.14078       11.20995      1.687245       0.9623644 
1 1 1 -2  18 15 o 8.376057  0.4868909     80.03661       10.66010  65.95422       12.24284      0.9143929      0.9737819 
1 1 1 -2  18 16 o 4.954368  0.6699160     21.72304       7.960440  35.35210       10.22119      -1.223210      1.339832  
1 1 1 -2  18 17 o 8.525219  0.5489781     85.92815       12.13355  74.99389       14.18790      0.8152903      1.097956  
1 1 1 -2  18 18 f 4.351683  0.8055849     28.79595       9.343510  22.79977       11.99169      0.8880133      1.611170  
1 1 1 -2  18 19 o 3.145626  1.571297      ?              ?         38.75713       40.66323      ?              ?         
1 1 1 -2  18 20 o 2.161246  0.7363439     3.170229       12.58900  -1.501824      14.39914      0.7462438E-01  1.472688  
1 1 1 -2  20 1  o 22.07187  1.418993      497.5482       106.7782  535.5285       75.70480      -1.483424      2.837986  
1 1 1 -2  20 2  o 18.43083  0.9987226     372.4171       51.87945  332.1460       51.34083      1.092986       1.997445  
1 1 1 -2  20 3  o 5.491741  0.4119748     33.03839       6.112687  27.82417       6.472034      0.4887184      0.8239496 
1 1 1 -2  20 4  o 17.94303  1.003972      352.5492       50.63115  317.9763       50.34585      0.9663967      2.007945  
1 1 1 -2  20 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  20 6  o 15.37330  0.5696638     248.6049       24.62967  231.6385       24.71861      0.5546227      1.139328  
1 1 1 -2  20 7  f 3.378180  0.4054427     13.08526       3.470443  9.895159       4.113859      0.5039986      0.8108854 
1 1 1 -2  20 8  o 15.65612  0.6107505     273.2007       26.82002  227.9413       26.93592      1.454329       1.221501  
1 1 1 -2  20 9  o 18.48749  0.7435276     396.3013       38.53059  313.5726       38.57969      2.251042       1.487055  
1 1 1 -2  20 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  20 11 o 8.757907  0.4421948     84.62132       10.41066  71.51765       11.35388      0.7745903      0.8843896 
1 1 1 -2  20 12 o 4.742330  0.5677314     30.19068       6.741522  16.28344       8.067211      1.553231       1.135463  
1 1 1 -2  20 13 o 4.634512  0.6157408     25.92202       7.194652  19.70190       8.773941      0.7573900      1.231482  
1 1 1 -2  20 14 o 4.707284  0.6753028     23.93027       7.889620  26.88788       9.781790      -0.1913798     1.350606  
1 1 1 -2  20 15 o 9.124013  0.5750219     111.7141       13.38931  71.59218       15.06415      2.352575       1.150044  
1 1 1 -2  20 16 o 3.930435  0.7490765     29.50206       9.017360  6.642046       11.68600      2.160688       1.498153  
1 1 1 -2  20 17 o 3.094369  0.8490469     16.20681       9.686990  10.64024       12.75546      0.4336958      1.698094  
1 1 1 -2  20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  20 19 o 2.367578  0.7894937     15.20569       13.17014  0.7962642      15.53775      0.4412958      1.578987  
1 1 1 -2  22 1  o 8.400944  0.5870725     81.14471       11.55510  59.91223       16.31006      1.387896       1.174145  
1 1 1 -2  22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  22 3  o 5.547560  0.7442955     ?              ?         31.77184       8.049879      ?              ?         
1 1 1 -2  22 4  o 7.610018  0.6027403     52.03924       14.28786  65.08348       11.47560      -0.9416775     1.205481  
1 1 1 -2  22 5  o 6.642772  0.3304432     46.45895       6.276446  42.85484       6.059454      0.2699032      0.6608864 
1 1 1 -2  22 6  o 18.51688  0.6688470     358.1029       34.91037  350.9977       34.91453      0.1924522      1.337694  
1 1 1 -2  22 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  22 8  o 3.901348  0.4983507     16.82093       4.894110  14.74960       5.885880      0.3040541      0.9967014 
1 1 1 -2  22 9  o 17.83546  0.7078183     336.2365       35.39312  338.6864       35.73606      -0.5839849E-01 1.415637  
1 1 1 -2  22 10 o 3.537591  0.6558652     10.74671       5.902084  17.47066       7.571293      -0.8312330     1.311730  
1 1 1 -2  22 11 o 5.434618  0.5386951     30.41720       7.387436  33.21584       8.937636      -0.1871652     1.077390  
1 1 1 -2  22 12 o 2.196229  0.6477478     -8.063182      7.025745  9.149899       8.903930      -1.375429      1.295496  
1 1 1 -2  22 13 o 3.075114  0.7832917     15.94998       8.964419  3.162945       9.924729      1.055284       1.566583  
1 1 1 -2  22 14 o 5.317696  0.7513181     46.70851       10.83176  22.64860       11.72013      2.303623       1.502636  
1 1 1 -2  22 15 o 2.412580  0.7727750     -0.4438482     10.71433  4.476887       12.10668      -0.3202191     1.545550  
1 1 1 -2  22 16 o 4.355343  0.9149401     38.87900       12.13821  24.88055       13.96234      1.448624       1.829880  
1 1 1 -2  22 17 o 2.517625  1.273096      ?              ?         1.210572       31.27613      ?              ?         
1 1 1 -2  24 1  o 9.331302  0.5546609     96.08060       14.75715  83.85838       14.21664      0.6484340      1.109322  
1 1 1 -2  24 2  o 5.237147  0.5714216     31.27491       8.174544  26.06207       8.168797      0.5108309      1.142843  
1 1 1 -2  24 3  o 5.756552  0.5927055     34.02555       9.247398  35.78318       9.486602      -0.1479919     1.185411  
1 1 1 -2  24 4  o 7.244296  0.6304891     57.08056       12.50613  53.48465       12.77632      0.2614053      1.260978  
1 1 1 -2  24 5  o 8.319328  0.6518274     64.89185       14.83589  81.22935       15.19179      -0.9870257     1.303655  
1 1 1 -2  24 6  o 7.507226  0.4115592     57.67810       7.677186  58.41260       10.18558      0.1440733E-01  0.8231184 
1 1 1 -2  24 7  o 4.446093  0.4451557     23.09517       4.999127  17.32505       5.950594      0.7124420      0.8903114 
1 1 1 -2  24 8  o 3.855192  0.5740872     19.17797       5.678718  11.83052       7.042905      0.9733465      1.148174  
1 1 1 -2  24 9  o 7.238502  0.4566019     57.23677       8.686893  52.24930       9.914515      0.4002224      0.9132038 
1 1 1 -2  24 10 o 11.91560  0.5343866     169.2200       17.55239  135.8671       18.12731      1.440121       1.068773  
1 1 1 -2  24 11 o 5.285998  0.6623644     24.38572       8.590202  41.04514       10.43973      -1.446605      1.324729  
1 1 1 -2  24 12 o 3.899525  0.8153999     13.74567       8.902246  27.77854       10.89610      -1.300683      1.630800  
1 1 1 -2  24 13 o 2.805486  0.7828076     -2.335899      9.587984  21.72058       11.72938      -1.663886      1.565615  
1 1 1 -2  24 14 o 3.532389  0.8836175     27.28074       11.03472  13.38191       13.40291      1.200069       1.767235  
1 1 1 -2  24 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  26 1  f 3.765496  0.6784328     21.05671       7.927481  10.87193       6.845354      1.200764       1.356866  
1 1 1 -2  26 2  o 6.172703  0.6044108     47.64867       10.37674  34.20021       9.988927      1.100203       1.208822  
1 1 1 -2  26 3  o 9.645537  0.6621332     114.4361       18.06402  88.08084       17.41767      1.352919       1.324266  
1 1 1 -2  26 4  o 4.041692  0.8683724     15.70110       10.61661  23.13629       11.20153      -0.7115158     1.736745  
1 1 1 -2  26 5  o 3.973283  0.9075004     23.67915       11.64830  13.66652       12.29878      0.8835852      1.815001  
1 1 1 -2  26 6  o 2.851471  0.8689098     7.637878       12.10781  -2.242934      14.00946      0.3743975      1.737820  
1 1 1 -2  26 7  f 2.209209  0.5777808     5.976848       4.394046  1.910374       5.715816      0.3403246      1.155562  
1 1 1 -2  26 8  o 2.252808  0.6168336     0.4456899      5.421831  8.666363       6.563800      -0.9266577     1.233667  
1 1 1 -2  26 9  o 3.634404  0.6821758     21.05410       7.025126  9.427563       8.830832      1.361125       1.364352  
1 1 1 -2  26 10 o 2.878253  0.9454993     1.394500       17.29099  7.793882       19.85233      -0.2924272     1.890999  
1 1 1 -2  26 11 o 3.492549  1.084796      28.64153       19.83803  22.62148       21.90485      0.2885085      2.169591  
1 1 1 -2  26 12 o 2.730168  1.316219      7.625260       21.43701  ?              ?             ?              ?         
1 1 1 -2  26 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  28 1  o 2.971423  0.7323496     16.07500       8.219557  3.437996       8.214278      1.206268       1.464699  
1 1 1 -2  28 2  o 4.861274  0.7763480     37.48466       10.97739  21.33040       10.18769      1.526970       1.552696  
1 1 1 -2  28 3  o 4.861714  0.8687927     23.09146       11.78190  39.69748       12.63649      -1.468327      1.737585  
1 1 1 -2  28 4  o 5.516132  0.9169582     41.86964       13.99546  41.76872       14.13375      0.2628781E-01  1.833916  
1 1 1 -2  28 5  o 2.456479  0.8098192     3.096868       13.37176  -10.53888      14.85518      0.3762268      1.619638  
1 1 1 -2  28 6  o 2.134906  0.7393679     -27.03793      14.55822  -3.738822      16.48736      -0.6652288     1.478736  
1 1 1 -2  28 7  o 3.154355  0.9794554     24.52720       16.95976  4.224754       18.55153      0.8257515      1.958911  
1 1 1 -2  28 8  o 3.481224  1.067226      21.29305       18.57048  34.26272       20.53039      -0.4829769     2.134452  
1 1 1 -2  28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  28 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -2  30 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  1  1  o 53.28157  3.654326      2973.859       387.0583  ?              ?             ?              ?         
1 1 1 -1  1  2  o 37.68085  2.978230      1467.655       222.6199  ?              ?             ?              ?         
1 1 1 -1  1  3  o 25.47613  1.373881      660.6095       98.24309  660.2927       98.25938      0.6331974E-02  2.747761  
1 1 1 -1  1  4  o 28.64215  1.518976      836.8212       122.1168  838.1535       122.2011      -0.2297696E-01 3.037953  
1 1 1 -1  1  5  o 26.62191  1.460308      718.3960       109.0644  729.7239       109.1276      -0.2137554     2.920616  
1 1 1 -1  1  6  o 29.79070  1.591540      897.9655       133.0590  925.5872       133.1397      -0.4658972     3.183080  
1 1 1 -1  1  7  o 51.51584  3.049798      2901.363       440.1626  2967.205       440.3946      -0.6408926     6.099597  
1 1 1 -1  1  8  f 20.65970  1.143748      422.8887       66.23796  451.1774       66.31087      -0.6887937     2.287496  
1 1 1 -1  1  9  o 13.70875  0.7469178     183.0378       28.69994  199.0052       28.73924      -0.5861152     1.493836  
1 1 1 -1  1  10 o 13.10988  0.5860181     182.0292       26.45580  169.8712       18.69740      0.3978080      1.172036  
1 1 1 -1  1  11 o 2.980102  0.2493016     8.632415       2.045537  9.394031       2.072891      -0.1291811     0.4986033 
1 1 1 -1  1  12 o 1.735358  0.3688303     1.961276       1.995454  3.979979       2.026618      -0.4537232     0.7376606 
1 1 1 -1  1  13 o 6.976680  0.2922379     49.35805       5.734736  48.51573       5.746730      0.6066725E-01  0.5844758 
1 1 1 -1  1  14 o 20.35754  0.7869229     422.3302       45.13298  420.6061       45.14388      0.4256143E-01  1.573846  
1 1 1 -1  1  15 f 16.46287  0.6385445     277.8153       29.61867  271.7346       29.61711      0.1852436      1.277089  
1 1 1 -1  1  16 o 14.78636  0.5777298     216.9411       24.04711  226.6093       24.08039      -0.3277202     1.155460  
1 1 1 -1  1  17 o 7.862201  0.3552915     61.65791       7.852690  63.18415       7.865360      -0.9734882E-01 0.7105830 
1 1 1 -1  1  18 o 11.49772  0.4741810     142.7303       15.35555  125.9820       15.31772      0.7312766      0.9483621 
1 1 1 -1  1  19 o 14.56326  0.5907421     223.6555       24.23838  215.7567       24.21781      0.2716971      1.181484  
1 1 1 -1  1  20 o 9.145464  0.4270535     91.66874       10.98238  80.51977       10.95936      0.6125848      0.8541070 
1 1 1 -1  1  21 o 2.189563  0.5971584     7.972347       5.874668  -2.400415      5.856857      0.9937224      1.194317  
1 1 1 -1  1  22 o 5.060042  0.5765408     29.24368       7.344461  28.85375       8.827586      0.1709027      1.153082  
1 1 1 -1  1  23 o 2.104576  0.6525003     7.532385       8.110532  -6.516855      8.252493      0.8126539      1.305001  
1 1 1 -1  1  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  1  25 f 2.213114  0.6959660     20.44126       10.47707  -6.117072      10.59401      1.179237       1.391932  
1 1 1 -1  3  1  o 8.095419  0.3028927     65.58048       6.911142  65.93221       6.910293      -0.2178841E-01 0.6057853 
1 1 1 -1  3  2  o 7.339940  0.2802399     53.75488       5.795288  54.35948       5.797237      -0.4130031E-01 0.5604797 
1 1 1 -1  3  3  o 14.00200  0.5248294     197.9592       20.70940  195.9506       20.71196      0.7193746E-01  1.049659  
1 1 1 -1  3  4  o 10.84409  0.4071729     120.6426       12.44385  115.4053       12.43962      0.2422163      0.8143458 
1 1 1 -1  3  5  o 22.53384  0.8432036     517.0217       53.54757  507.0236       53.54948      0.2224959      1.686407  
1 1 1 -1  3  6  o 41.14117  1.545821      1714.452       179.1826  1755.899       179.2638      -0.5047358     3.091643  
1 1 1 -1  3  7  o 19.72217  0.7474623     404.9135       41.53990  379.8470       41.51824      0.6375389      1.494925  
1 1 1 -1  3  8  o 17.31235  0.6488643     315.5878       31.65354  288.9469       31.62826      0.7720601      1.297729  
1 1 1 -1  3  9  o 18.54745  0.7024763     362.5614       36.70514  334.5938       36.69307      0.7565604      1.404953  
1 1 1 -1  3  10 o 16.54822  0.9148789     278.9737       42.46051  284.9067       42.49746      -0.1799830     1.829758  
1 1 1 -1  3  11 o 12.03692  0.6720872     146.4108       22.68756  148.9319       22.70292      -0.1052481     1.344174  
1 1 1 -1  3  12 o 20.91984  1.178081      449.0248       69.08356  462.4045       69.16673      -0.3208820     2.356162  
1 1 1 -1  3  13 o 15.44508  0.8585055     233.5365       37.13367  253.8872       37.22350      -0.6627177     1.717011  
1 1 1 -1  3  14 o 18.32780  1.020398      332.7881       52.37420  358.5334       52.50920      -0.7059276     2.040796  
1 1 1 -1  3  15 o 38.25635  2.418608      1705.453       258.6462  1715.491       259.2489      -0.1171346     4.837215  
1 1 1 -1  3  16 o 16.26862  0.9143212     268.0988       41.65044  280.3368       41.78463      -0.3767647     1.828642  
1 1 1 -1  3  17 o 6.921638  0.4948453     39.38365       9.413233  58.11318       9.456014      -1.377359      0.9896905 
1 1 1 -1  3  18 o 13.56342  0.7950090     181.9661       30.07890  203.3651       30.30350      -0.7905436     1.590018  
1 1 1 -1  3  19 o 7.750555  0.5090796     59.71766       12.13362  63.73681       10.17268      -0.3114128     1.018159  
1 1 1 -1  3  20 f 7.654577  0.4156715     63.74209       8.977852  57.11732       8.865437      0.4326624      0.8313430 
1 1 1 -1  3  21 o 1.965752  0.5910158     -2.724460      5.869225  3.887301       6.129930      -0.5698102     1.182032  
1 1 1 -1  3  22 o 2.473610  0.6813298     7.345298       6.457917  3.717664       7.587408      0.2582971      1.362660  
1 1 1 -1  3  23 o 3.169276  0.6611435     26.17839       8.530794  -3.699168      8.578762      2.582753       1.322287  
1 1 1 -1  3  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  3  25 o 2.183077  0.6878579     -9.149393      10.55137  23.41494       11.09143      -1.350636      1.375716  
1 1 1 -1  5  1  o 13.73288  0.7448047     194.4033       28.71017  186.2486       28.69761      0.2987300      1.489609  
1 1 1 -1  5  2  o 6.862628  0.2614758     48.03147       5.056458  46.45877       5.055727      0.1149355      0.5229515 
1 1 1 -1  5  3  o 24.08413  0.9090438     577.4041       61.68900  592.8280       61.70248      -0.3211172     1.818088  
1 1 1 -1  5  4  o 40.26020  1.519985      1630.009       172.3805  1680.579       172.5039      -0.6293179     3.039969  
1 1 1 -1  5  5  o 63.76781  2.484267      4136.611       445.8615  4475.249       446.3416      -2.661137      4.968535  
1 1 1 -1  5  6  o 18.79811  0.7062602     367.0036       37.41271  345.2200       37.39675      0.5812471      1.412520  
1 1 1 -1  5  7  o 16.73381  0.6348255     290.3523       29.93323  274.2165       29.92310      0.4836753      1.269651  
1 1 1 -1  5  8  o 21.33523  0.8168212     465.0186       49.10263  460.1711       49.11094      0.1140030      1.633642  
1 1 1 -1  5  9  o 22.06848  0.8460853     508.9818       52.61095  485.8658       52.59681      0.5253105      1.692171  
1 1 1 -1  5  10 o 13.30009  0.5136815     183.3179       19.24639  174.0814       19.24548      0.3483958      1.027363  
1 1 1 -1  5  11 o 6.577132  0.2724500     43.83419       5.026599  43.14878       5.065708      0.5257469E-01  0.5449000 
1 1 1 -1  5  12 o 26.18074  1.013412      706.6508       74.73743  702.2738       74.77648      0.8422742E-01  2.026825  
1 1 1 -1  5  13 o 25.40735  0.9886913     675.0168       70.76657  647.6912       70.76297      0.5394940      1.977383  
1 1 1 -1  5  14 o 23.52881  0.9107528     575.5063       60.36613  557.1154       60.37941      0.3921832      1.821506  
1 1 1 -1  5  15 o 31.80816  1.262352      1071.560       113.0854  1055.528       113.1376      0.2535911      2.524705  
1 1 1 -1  5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  5  19 f 10.78826  0.5468685     109.2994       14.02345  136.9001       20.11991      -1.121352      1.093737  
1 1 1 -1  5  20 o 4.055288  0.7124782     10.31413       8.597622  25.78664       8.611309      -1.686486      1.424956  
1 1 1 -1  5  21 o 3.262458  0.8665565     12.43281       9.163212  9.322890       13.92551      0.5471953E-01  1.733113  
1 1 1 -1  5  22 o 2.244092  0.7121727     -12.85180      9.546768  10.17630       12.40800      -1.288328      1.424345  
1 1 1 -1  5  23 o 3.510928  0.9352003     14.98266       11.23390  31.34731       14.82212      -0.9686892     1.870401  
1 1 1 -1  5  24 o 1.964680  0.6858685     -4.265790      12.21543  -17.52398      16.36071      0.6123937E-01  1.371737  
1 1 1 -1  7  1  o 8.027998  0.6288685     63.57309       14.02189  67.22698       14.04857      -0.2304663     1.257737  
1 1 1 -1  7  2  o 34.04938  1.303765      1215.037       125.0869  1142.024       125.0157      1.075498       2.607529  
1 1 1 -1  7  3  o 48.09586  1.859483      2374.774       251.9449  2409.739       252.0307      -0.3640477     3.718966  
1 1 1 -1  7  4  o 34.67055  1.313387      1195.382       128.2414  1256.581       128.3505      -0.8848125     2.626774  
1 1 1 -1  7  5  o 16.91680  0.6478267     295.9941       30.87849  280.6109       30.86920      0.4561386      1.295653  
1 1 1 -1  7  6  o 11.41037  0.4346598     141.0107       13.96161  120.4865       13.94477      0.9033259      0.8693197 
1 1 1 -1  7  7  o 13.52761  0.5192937     192.3479       19.78851  176.3287       19.77813      0.5942505      1.038587  
1 1 1 -1  7  8  o 7.242940  0.2907496     56.59903       5.915329  48.70188       5.930492      0.5479426      0.5814993 
1 1 1 -1  7  9  o 5.068594  0.2301597     28.74624       3.238963  22.78909       3.299656      0.5925247      0.4603194 
1 1 1 -1  7  10 o 21.23195  0.8260891     469.6897       49.40760  451.9930       49.41436      0.4181792      1.652178  
1 1 1 -1  7  11 o 5.614765  0.2547528     34.20127       3.989727  29.04155       4.044764      0.4629171      0.5095055 
1 1 1 -1  7  12 o 37.18211  1.469569      1460.145       153.8901  1449.040       153.9777      0.1509219      2.939139  
1 1 1 -1  7  13 o 17.02967  0.6595028     305.7952       31.63372  281.1550       31.62202      0.7260950      1.319006  
1 1 1 -1  7  14 o 3.933742  0.3163920     17.86047       3.372046  13.25425       3.493733      0.6012438      0.6327840 
1 1 1 -1  7  15 o 7.161390  0.3337373     58.91745       6.614204  44.29148       6.743756      1.030615       0.6674747 
1 1 1 -1  7  16 o 4.307847  0.3785890     17.19516       4.384592  20.67336       4.621348      -0.4061804     0.7571779 
1 1 1 -1  7  17 o 14.69892  0.5891223     232.7031       24.35448  209.3252       24.38991      0.7992121      1.178245  
1 1 1 -1  7  18 o 7.099416  0.3920999     54.37030       7.669476  47.99495       7.940410      0.4578373      0.7841999 
1 1 1 -1  7  19 o 6.289457  0.4283506     50.85073       7.276668  30.83299       7.409030      1.624763       0.8567013 
1 1 1 -1  7  20 o 2.215885  0.6499467     2.907955       5.943580  1.189787       7.657041      -0.6821891E-01 1.299893  
1 1 1 -1  7  21 o 1.883171  0.6003790     -5.248778      6.416201  1.641845       7.653069      -0.5876249     1.200758  
1 1 1 -1  7  22 o 2.403820  0.7220615     3.756926       8.490195  4.983425       8.636785      -0.9556451E-01 1.444123  
1 1 1 -1  7  23 o 2.784353  0.8396142     13.92383       11.24807  9.129892       12.36064      0.2772209      1.679228  
1 1 1 -1  7  24 o 2.443460  0.7475945     18.62628       10.23206  0.7512341      10.91700      0.9589085      1.495189  
1 1 1 -1  9  1  o 25.90146  1.396422      714.0542       101.5147  662.6351       101.4401      0.9987479      2.792844  
1 1 1 -1  9  2  o 7.720684  0.2976954     63.04456       6.472584  56.49967       6.469119      0.4255569      0.5953907 
1 1 1 -1  9  3  o 18.50763  0.6748986     334.3205       35.17692  356.1269       35.21980      -0.5907691     1.349797  
1 1 1 -1  9  4  o 14.93423  0.5644975     230.7724       23.75579  218.4282       23.74775      0.4145912      1.128995  
1 1 1 -1  9  5  o 19.97977  0.7656790     414.6482       43.10246  394.1002       43.09341      0.5158597      1.531358  
1 1 1 -1  9  6  o 15.14505  0.5765817     243.5934       24.59554  219.3860       24.58160      0.8022255      1.153163  
1 1 1 -1  9  7  o 6.135969  0.2469487     42.04097       4.240883  33.52450       4.264003      0.6980712      0.4938973 
1 1 1 -1  9  8  o 5.748276  0.2452590     35.54678       3.936855  30.73793       3.990301      0.4210652      0.4905181 
1 1 1 -1  9  9  o 15.37724  0.5964869     251.1822       25.82718  227.4012       25.82314      0.7763053      1.192974  
1 1 1 -1  9  10 o 16.01705  0.6177055     271.9943       27.86589  247.0405       27.85205      0.7819145      1.235411  
1 1 1 -1  9  11 o 11.54114  0.4526348     142.5908       14.69644  125.4753       14.70596      0.7448448      0.9052696 
1 1 1 -1  9  12 o 2.951540  0.3335424     6.936094       2.565251  10.85772       2.771126      -0.6783863     0.6670848 
1 1 1 -1  9  13 f 27.36807  1.072834      790.8581       82.68983  755.0225       82.71980      0.6572507      2.145669  
1 1 1 -1  9  14 o 11.54488  0.4613044     141.3064       14.95964  127.5324       15.02196      0.5995968      0.9226087 
1 1 1 -1  9  15 o 11.78915  0.5693207     169.0089       18.61331  114.3888       18.64561      2.337345       1.138641  
1 1 1 -1  9  16 o 6.445990  1.202226      ?              ?         44.40882       14.92908      ?              ?         
1 1 1 -1  9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  9  18 f 6.813012  0.4127431     57.09254       7.627511  37.87639       7.877577      1.436616       0.8254862 
1 1 1 -1  9  19 o 2.005411  0.6109909     -0.8676072     5.766916  1.465681       6.959982      -0.3557995     1.221982  
1 1 1 -1  9  20 o 3.986221  0.5840960     3.623973       6.525784  33.67187       7.908365      -3.287956      1.168192  
1 1 1 -1  9  21 f 2.002289  0.6199898     5.120122       6.803571  -9.982028      8.313590      0.7015331      1.239980  
1 1 1 -1  9  22 o 2.524914  0.7475606     6.881338       8.570384  6.453868       9.402964      -0.4688123E-02 1.495121  
1 1 1 -1  9  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  9  24 o 2.863083  0.8493111     24.03988       11.27026  19.37260       12.40943      0.3947355      1.698622  
1 1 1 -1  11 1  o 14.49855  0.7531009     223.1827       30.65742  203.2377       30.63176      0.6921536      1.506202  
1 1 1 -1  11 2  o 16.35533  0.4843886     319.9561       22.18617  221.3118       22.02982      3.024961       0.9687771 
1 1 1 -1  11 3  f 10.44761  0.3881572     116.3501       11.42090  102.9868       11.41593      0.6420450      0.7763144 
1 1 1 -1  11 4  o 2.205851  0.1723676     6.081228       0.9992444 3.703273       1.064439      0.5549030      0.3447353 
1 1 1 -1  11 5  o 19.07451  0.7323759     376.0964       39.35245  364.1794       39.36786      0.3134935      1.464752  
1 1 1 -1  11 6  o 27.86236  1.093005      813.5446       85.77249  797.1635       85.81693      0.2954518      2.186009  
1 1 1 -1  11 7  o 2.211713  0.2626482     6.043403       1.504729  3.744692       1.676774      0.5417277      0.5252963 
1 1 1 -1  11 8  o 22.24309  0.8632253     532.3114       54.06702  479.1912       54.04500      1.198735       1.726451  
1 1 1 -1  11 9  f 23.44367  0.9119508     591.8792       60.20352  531.7971       60.17037      1.286379       1.823902  
1 1 1 -1  11 10 o 16.25418  0.6277350     281.1196       28.72570  252.9122       28.72789      0.8712168      1.255470  
1 1 1 -1  11 11 o 14.19968  0.5564749     223.4649       22.20823  183.2977       22.19550      1.421496       1.112950  
1 1 1 -1  11 12 o 10.07104  0.4115210     117.0904       11.57525  87.32801       11.61362      1.486936       0.8230419 
1 1 1 -1  11 13 o 25.25243  0.9915453     688.3070       70.48794  628.3636       70.50597      1.191841       1.983091  
1 1 1 -1  11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  11 15 o 17.36424  1.544145      321.8350       73.93182  359.0951       74.16589      -1.086202      3.088290  
1 1 1 -1  11 16 f 21.84542  0.8893159     543.3917       54.57044  463.5178       54.65798      1.839667       1.778632  
1 1 1 -1  11 17 o 7.785073  0.4239838     71.06908       8.789222  52.15008       9.578549      1.246321       0.8479676 
1 1 1 -1  11 18 o 3.360440  0.6405643     6.066635       5.907495  18.98198       7.267132      -1.619885      1.281129  
1 1 1 -1  11 19 o 6.710680  0.4841937     54.29077       8.414991  39.76694       9.561073      1.159577       0.9683874 
1 1 1 -1  11 20 o 6.999769  0.4994951     56.55151       9.112143  48.93878       10.47374      0.6435258      0.9989903 
1 1 1 -1  11 21 o 1.936548  0.6441202     -4.554515      8.757523  -5.433232      9.357147      -0.2720183E-01 1.288240  
1 1 1 -1  11 22 o 2.105915  0.6954231     -21.30112      11.67515  12.45833       12.94541      -1.172822      1.390846  
1 1 1 -1  11 23 o 2.431997  0.7661324     15.44401       10.59360  3.396324       11.84034      0.5888817      1.532265  
1 1 1 -1  13 1  o 7.215259  0.3718258     58.54076       7.520006  46.27295       7.493516      0.8572354      0.7436516 
1 1 1 -1  13 2  o 22.78798  1.233859      567.2093       78.92589  521.0560       78.81039      1.018077       2.467718  
1 1 1 -1  13 3  o 17.59196  0.6563973     337.7975       32.51352  289.7384       32.47322      1.371492       1.312795  
1 1 1 -1  13 4  o 6.777832  0.2657565     49.41640       5.052568  42.76957       5.082937      0.4928656      0.5315131 
1 1 1 -1  13 5  o 20.16787  0.7647978     432.0220       43.40609  396.6666       43.47964      0.8804426      1.529596  
1 1 1 -1  13 6  o 21.27803  0.8215244     473.4451       49.20489  451.0104       49.28312      0.5296695      1.643049  
1 1 1 -1  13 7  o 5.335292  0.2479042     33.12523       3.635599  24.06400       3.740416      0.8572553      0.4958083 
1 1 1 -1  13 8  o 12.45213  0.4913287     168.2424       17.19451  144.0493       17.22156      0.9762920      0.9826575 
1 1 1 -1  13 9  o 4.684399  0.2555882     24.12947       3.243263  19.78904       3.466287      0.4708080      0.5111765 
1 1 1 -1  13 10 o 13.17668  0.5181658     193.0632       19.16277  156.9577       19.19292      1.377420       1.036332  
1 1 1 -1  13 11 o 9.247500  0.3816228     94.58548       9.853683  77.33790       9.966376      0.9387877      0.7632455 
1 1 1 -1  13 12 o 18.44511  0.7267750     372.3355       37.68300  320.6489       37.73381      1.408252       1.453550  
1 1 1 -1  13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  13 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  13 15 o 4.596903  0.4659703     23.87519       5.481102  18.94126       6.356591      0.5791789      0.9319407 
1 1 1 -1  13 16 f 5.511518  0.4584019     34.14432       6.487386  27.49302       7.584450      0.6501123      0.9168039 
1 1 1 -1  13 17 o 16.85392  0.7075673     323.5433       33.31010  283.5687       33.75808      1.208435       1.415135  
1 1 1 -1  13 18 o 6.154402  0.5126919     47.14617       7.948937  31.89811       9.305496      1.342508       1.025384  
1 1 1 -1  13 19 o 3.322846  0.6875029     18.58402       7.062848  3.942628       8.867000      1.491372       1.375006  
1 1 1 -1  13 20 o 2.271142  0.7135019     -0.3012906     8.907214  2.515826       9.494394      -0.2129065     1.427004  
1 1 1 -1  13 21 o 1.967985  0.6605178     -5.330084      9.285094  -3.445563      10.59137      -0.1845437     1.321036  
1 1 1 -1  13 22 o 2.743249  0.8940066     -0.3555844     19.11181  30.01283       16.66948      -0.9622129     1.788013  
1 1 1 -1  15 1  o 6.404491  0.3438694     43.43721       6.192429  39.22330       6.161728      0.3310035      0.6877387 
1 1 1 -1  15 2  o 6.899218  0.3861465     51.81406       7.444251  44.06802       7.474213      0.5667149      0.7722930 
1 1 1 -1  15 3  o 12.32384  0.5022159     148.4973       16.27362  159.3926       18.84058      -0.4247444     1.004432  
1 1 1 -1  15 4  o 18.05415  0.6718289     350.5702       34.17258  309.5916       34.12730      1.139071       1.343658  
1 1 1 -1  15 5  o 7.927825  0.3139978     68.18979       6.977451  57.96255       7.023255      0.6485428      0.6279956 
1 1 1 -1  15 6  o 17.65994  0.6625256     331.2815       32.94831  299.7136       32.95339      0.8971844      1.325051  
1 1 1 -1  15 7  o 10.07125  0.3892197     107.2487       10.98877  96.59055       11.08522      0.5319203      0.7784395 
1 1 1 -1  15 8  o 14.79661  0.5787513     232.1667       24.07817  209.8680       24.14053      0.7570223      1.157503  
1 1 1 -1  15 9  o 22.73548  0.8847010     569.1798       56.57180  486.7276       56.58060      1.821906       1.769402  
1 1 1 -1  15 10 o 2.054224  0.4785171     2.191631       3.039577  6.024015       3.645367      -0.6986614     0.9570342 
1 1 1 -1  15 11 o 10.48309  0.4405334     127.1572       12.80566  94.79198       13.01625      1.555826       0.8810669 
1 1 1 -1  15 12 o 6.965079  0.3573710     51.64015       6.705422  45.88311       7.301757      0.4235234      0.7147419 
1 1 1 -1  15 13 o 14.55299  1.169753      270.6886       38.23723  176.8451       54.02343      3.773081       2.339506  
1 1 1 -1  15 14 o 3.095061  0.6246538     6.425049       5.330767  14.05797       6.465107      -1.048260      1.249308  
1 1 1 -1  15 15 o 7.323697  0.4252558     55.71205       8.259797  53.88521       9.290219      0.1468836      0.8505116 
1 1 1 -1  15 16 o 4.513364  0.5940748     21.55861       6.688240  22.51830       8.167020      -0.4360626E-01 1.188150  
1 1 1 -1  15 17 o 3.474291  0.7132251     14.97890       6.834485  11.37702       8.602210      0.4140548      1.426450  
1 1 1 -1  15 18 o 2.645345  0.6979116     -7.093366      8.335593  15.98022       9.088336      -1.787869      1.395823  
1 1 1 -1  15 19 o 2.400433  0.7367973     3.595118       8.671429  1.848232       10.01305      -0.1101568E-03 1.473595  
1 1 1 -1  15 20 o 2.567361  0.7831693     6.568708       9.704861  6.995069       11.09224      -0.7807367E-01 1.566339  
1 1 1 -1  15 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  15 22 o 2.707964  0.8421830     11.79222       12.01235  30.35313       13.86552      -0.7945297     1.684366  
1 1 1 -1  17 1  o 19.55825  1.048708      392.5526       57.63904  395.6199       57.52231      -0.8009057E-01 2.097415  
1 1 1 -1  17 2  o 10.69983  0.6528021     126.5810       23.75079  110.1146       16.89061      0.7044404      1.305604  
1 1 1 -1  17 3  o 13.29465  0.8398715     174.3089       38.12214  184.1823       27.08001      -0.4964906     1.679743  
1 1 1 -1  17 4  f 15.92906  0.5902224     268.0659       26.50952  244.2757       26.45532      0.7490733      1.180445  
1 1 1 -1  17 5  o 17.60128  0.6392885     326.0400       31.70996  300.5285       31.69744      0.7270389      1.278577  
1 1 1 -1  17 6  o 17.09336  0.6588270     308.9948       31.72427  282.7588       31.70200      0.7701795      1.317654  
1 1 1 -1  17 7  o 14.23230  0.5427477     228.4079       21.69475  180.8241       21.66866      1.679965       1.085495  
1 1 1 -1  17 8  f 21.00698  0.8063751     504.6814       47.62493  397.4863       47.44009      2.562622       1.612750  
1 1 1 -1  17 9  o 7.876916  0.3526639     67.23813       7.611338  57.36489       8.006660      0.6346189      0.7053279 
1 1 1 -1  17 10 o 14.77719  0.5948703     237.9323       24.64655  205.8026       24.80349      1.094248       1.189741  
1 1 1 -1  17 11 o 7.412562  0.4543825     64.62162       10.74349  48.58628       8.315634      1.051865       0.9087650 
1 1 1 -1  17 12 o 8.082152  0.4087895     73.71982       8.888280  58.10584       9.610724      0.9861147      0.8175790 
1 1 1 -1  17 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  17 14 o 5.666337  0.4889378     36.07232       7.060905  29.47908       8.385842      0.6403162      0.9778756 
1 1 1 -1  17 15 o 9.794183  0.4847142     103.9943       12.82890  94.69057       13.89968      0.5106801      0.9694284 
1 1 1 -1  17 16 o 4.549428  0.7062527     18.82154       8.470037  28.17403       9.263819      -0.9673049     1.412505  
1 1 1 -1  17 17 o 8.316278  0.5750147     82.30260       13.31836  69.97453       13.31702      0.7510595      1.150029  
1 1 1 -1  17 18 o 7.222802  0.6100270     55.16278       11.52935  66.92265       12.92889      -0.6864089     1.220054  
1 1 1 -1  17 19 o 5.091964  0.7785642     50.03427       11.15112  22.10073       12.46282      2.699082       1.557128  
1 1 1 -1  17 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  17 21 o 2.590602  0.8314935     20.51277       12.63298  13.17222       14.59546      0.3752260      1.662987  
1 1 1 -1  19 1  o 26.00106  1.401189      765.3432       102.2583  660.1199       101.9180      2.034842       2.802378  
1 1 1 -1  19 2  o 19.30531  0.9747944     418.5397       52.93796  347.7378       52.55379      1.843435       1.949589  
1 1 1 -1  19 3  o 12.54924  0.6615354     167.4230       23.36166  152.7613       23.22826      0.5867444      1.323071  
1 1 1 -1  19 4  o 5.881562  0.4363557     42.48489       6.883505  27.38449       7.160851      1.316273       0.8727114 
1 1 1 -1  19 5  o 17.29373  0.6942221     297.4446       36.41703  310.0093       31.69581      -0.4107111     1.388444  
1 1 1 -1  19 6  o 15.65173  0.5934526     264.8425       28.07257  234.4914       24.50416      0.9382892      1.186905  
1 1 1 -1  19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  19 8  o 30.81533  1.311952      1061.668       122.8013  998.2698       106.5072      0.6726288      2.623905  
1 1 1 -1  19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  19 10 o 8.874573  0.4242859     91.43874       10.22693  68.02259       10.78378      1.339095       0.8485718 
1 1 1 -1  19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  19 12 o 7.068739  0.4747837     53.18094       9.388935  49.76474       9.359655      0.2434010      0.9495673 
1 1 1 -1  19 13 o 3.253644  0.7341620     12.62990       7.330834  9.555122       8.109143      0.3187485      1.468324  
1 1 1 -1  19 14 o 7.186315  0.5370570     58.05817       10.58279  51.04151       10.88736      0.5084007      1.074114  
1 1 1 -1  19 15 o 4.775694  0.6881138     33.78945       8.690412  16.65235       10.07234      1.822235       1.376228  
1 1 1 -1  19 16 o 6.804935  0.6214113     58.86870       10.98648  44.80147       12.25411      1.174115       1.242823  
1 1 1 -1  19 17 o 6.536715  0.6872801     54.17209       11.63780  49.91581       13.11955      0.5198989      1.374560  
1 1 1 -1  19 18 o 8.732427  0.6899632     106.4560       16.04193  90.62555       17.33587      1.138593       1.379926  
1 1 1 -1  19 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  19 20 o 2.012077  0.7003660     1.568192       13.06030  -4.419304      15.39770      0.6622586E-01  1.400732  
1 1 1 -1  21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  21 2  o 6.771130  0.9027324     ?              ?         47.39017       11.92073      ?              ?         
1 1 1 -1  21 3  o 15.74307  0.8553919     301.4984       37.68092  212.0974       37.18021      2.861427       1.710784  
1 1 1 -1  21 4  o 3.293605  0.5923917     16.17607       5.658488  4.749043       6.513170      1.421435       1.184783  
1 1 1 -1  21 5  o 18.09774  0.6741292     374.9867       37.11945  299.6422       31.80177      2.015427       1.348258  
1 1 1 -1  21 6  o 7.607838  1.199834      ?              ?         61.42494       17.65200      ?              ?         
1 1 1 -1  21 7  o 13.12122  0.4748342     196.0071       17.49794  153.9111       17.47597      1.611308       0.9496684 
1 1 1 -1  21 8  f 10.12658  0.4805289     121.0896       14.60282  89.32243       12.73417      1.547398       0.9610577 
1 1 1 -1  21 9  f 3.215785  0.8325493     -0.1717230E-01 7.832044  22.02905       14.91409      -2.252493      1.665099  
1 1 1 -1  21 10 o 2.604666  0.6265203     0.6949682      5.541206  11.98641       6.680850      -1.376741      1.253041  
1 1 1 -1  21 11 o 11.96414  0.5250520     144.8685       17.45561  153.0793       17.90248      -0.3321645     1.050104  
1 1 1 -1  21 12 o 5.580197  0.5550104     36.38308       7.903394  28.89716       9.223134      0.7572771      1.110021  
1 1 1 -1  21 13 o 5.625102  0.6065302     28.32355       8.430334  41.89209       10.24848      -1.121835      1.213060  
1 1 1 -1  21 14 o 7.316317  0.5902430     69.59064       10.92917  47.49150       12.61115      1.675036       1.180486  
1 1 1 -1  21 15 o 5.002532  0.7562877     36.01320       9.813475  25.18792       11.85606      1.260887       1.512575  
1 1 1 -1  21 16 o 5.502711  0.8153075     37.09257       11.30776  47.13626       13.42745      -0.5709520     1.630615  
1 1 1 -1  21 17 o 2.904597  0.9291263     4.777353       14.04144  33.01561       20.39714      -1.026312      1.858253  
1 1 1 -1  21 18 o 2.681404  0.8357018     22.55030       12.36545  3.125106       15.27400      0.8786234      1.671404  
1 1 1 -1  21 19 o 2.012780  0.6953229     17.40700       13.49934  -23.97266      16.76254      0.7617039      1.390646  
1 1 1 -1  23 1  o 11.50006  0.6194096     139.1524       20.13636  133.4224       19.85151      0.2455982      1.238819  
1 1 1 -1  23 2  o 24.01400  1.335903      743.1288       89.82775  550.3701       88.73203      4.020048       2.671806  
1 1 1 -1  23 3  o 8.213049  0.5502551     83.45834       12.48354  55.16410       12.40960      1.749669       1.100510  
1 1 1 -1  23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  23 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  23 6  o 8.119014  0.3770733     70.01830       8.473916  63.80985       8.743298      0.3891389      0.7541466 
1 1 1 -1  23 7  o 13.85813  0.5408208     208.3242       21.09759  188.6397       21.10316      0.7132301      1.081642  
1 1 1 -1  23 8  o 14.49154  0.5818512     225.8236       23.67121  213.5831       23.81785      0.4281393      1.163702  
1 1 1 -1  23 9  o 2.296685  0.6358967     6.815562       5.917219  -1.861200      7.058086      0.6452343      1.271793  
1 1 1 -1  23 10 o 7.053202  0.5031882     61.32230       9.161972  42.55102       10.35620      1.412134       1.006376  
1 1 1 -1  23 11 o 4.616778  0.6741271     26.79527       7.990162  20.51191       9.481400      0.7673141      1.348254  
1 1 1 -1  23 12 o 6.384358  0.6162490     50.00271       10.19434  40.43256       11.49509      0.8761646      1.232498  
1 1 1 -1  23 13 o 5.023461  0.7567753     30.56070       9.650001  32.92084       11.45945      -0.3483144E-01 1.513551  
1 1 1 -1  23 14 o 3.137825  0.8361598     17.99173       9.794204  6.996502       12.03690      0.8229242      1.672320  
1 1 1 -1  23 15 o 6.633355  0.7779177     68.66495       13.09534  52.27483       15.29317      1.698182       1.555835  
1 1 1 -1  23 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  25 1  o 4.914257  0.5382764     22.80355       7.184868  27.94104       7.251074      -0.5343323     1.076553  
1 1 1 -1  25 2  o 2.469066  0.6928346     2.947047       7.202291  4.966176       7.264765      -0.1887860     1.385669  
1 1 1 -1  25 3  o 3.927159  0.7770326     14.87676       8.809042  19.52846       9.203517      -0.5056593     1.554065  
1 1 1 -1  25 4  o 8.517418  0.6544936     86.89008       15.64613  68.11430       15.22352      1.104003       1.308987  
1 1 1 -1  25 5  o 3.383860  0.8222197     0.7437154      9.963742  22.19153       11.47388      -1.852988      1.644439  
1 1 1 -1  25 6  o 4.260121  0.8981177     25.79951       11.38336  15.54665       12.79853      0.9414411      1.796235  
1 1 1 -1  25 7  o 2.718572  0.5146387     12.63480       4.385393  1.488204       5.046402      1.500506       1.029277  
1 1 1 -1  25 8  o 3.582198  0.5825027     6.814564       5.517162  22.45413       6.689369      -1.969602      1.165005  
1 1 1 -1  25 9  o 5.491953  0.5288544     35.05732       7.399153  30.02431       8.731886      0.5645155      1.057709  
1 1 1 -1  25 10 o 2.407142  0.6791741     10.68920       7.504571  -7.084493      9.027013      1.104165       1.358348  
1 1 1 -1  25 11 o 3.997454  0.8287575     15.54009       9.394429  28.70069       11.02631      -1.200927      1.657515  
1 1 1 -1  25 12 o 2.275978  0.7331401     -1.907808      9.408521  4.398051       11.67253      -0.4625657     1.466280  
1 1 1 -1  25 13 o 3.439278  0.9053140     23.06992       11.09659  17.78750       13.42109      0.5444417      1.810628  
1 1 1 -1  25 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  27 1  o 2.315302  0.6582401     6.621204       6.663173  -0.2815967     7.075103      0.5542833      1.316480  
1 1 1 -1  27 2  o 7.117775  0.7963953     77.40588       13.36152  39.02802       16.94777      3.037031       1.592791  
1 1 1 -1  27 3  o 3.659234  0.8225238     22.28037       10.06950  9.137643       10.16743      1.245776       1.645048  
1 1 1 -1  27 4  o 3.671454  0.8999350     10.10885       11.32269  23.58902       12.34939      -1.128661      1.799870  
1 1 1 -1  27 5  o 6.775585  0.8579394     65.39634       16.06398  48.03761       15.52260      1.255431       1.715879  
1 1 1 -1  27 6  o 4.042930  1.015219      26.93864       14.07985  19.13460       15.79627      0.6155838      2.030437  
1 1 1 -1  27 7  o 3.591900  1.011808      22.80438       14.89608  12.84433       16.94015      0.5860739      2.023615  
1 1 1 -1  27 8  f 3.246759  0.9203278     32.84807       15.96173  -17.29594      18.05786      2.097289       1.840656  
1 1 1 -1  27 9  o 2.448835  0.8415312     -18.96668      17.67292  2.673808       19.69912      -0.5856399     1.683062  
1 1 1 -1  27 10 o 3.403787  1.061697      37.38016       20.25581  14.90398       21.70016      0.8793682      2.123394  
1 1 1 -1  27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  27 12 o 2.217439  0.7949064     -11.06201      25.26254  -24.64497      25.40568      0.1315223      1.589813  
1 1 1 -1  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 6  o 2.688276  0.8924443     18.06351       17.17150  -9.094673      19.54194      0.7154733      1.784889  
1 1 1 -1  29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 -1  29 9  o 2.209598  0.6809780     3.732957       7.612681  8.903612       8.527918      -0.3615293     1.361956  
1 1 1 -1  31 1  f 2.252190  0.7237825     -1.900876      11.35189  10.47376       9.857274      -0.5151097     1.447565  
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  o 32.60234  3.883321      1134.753       243.7439  1134.753       243.7439      ?              ?         
1 1 1 0   0  6  o 3.726172  0.3494930     14.25074       2.548826  14.25074       2.548826      ?              ?         
1 1 1 0   0  7  o 5.990951  0.2482863     36.08196       2.963299  36.08196       2.963299      ?              ?         
1 1 1 0   0  8  o 35.26020  1.940571      1270.875       135.8956  1270.875       135.8956      ?              ?         
1 1 1 0   0  9  o 12.69988  0.6984975     163.1500       17.61813  163.1500       17.61813      ?              ?         
1 1 1 0   0  10 o 37.04977  2.063595      1425.024       151.8187  1425.024       151.8187      ?              ?         
1 1 1 0   0  11 f 8.525857  0.4776692     73.49370       8.086170  73.49370       8.086170      ?              ?         
1 1 1 0   0  12 o 16.19415  0.8904932     265.9938       28.64080  265.9938       28.64080      ?              ?         
1 1 1 0   0  13 o 7.686362  0.4481390     59.74852       6.835046  59.74852       6.835046      ?              ?         
1 1 1 0   0  14 o 1.103865  0.6581502     1.289938       2.559160  1.289938       2.559160      ?              ?         
1 1 1 0   0  15 f 23.64814  1.304253      570.6082       61.25430  570.6082       61.25430      ?              ?         
1 1 1 0   0  16 o 17.08471  0.9417687     296.7623       31.95457  296.7623       31.95457      ?              ?         
1 1 1 0   0  17 o 1.203303  0.7631685     0.4990696      3.978055  0.4990696      3.978055      ?              ?         
1 1 1 0   0  18 o 1.610639  0.9139991     3.454317       4.558511  3.454317       4.558511      ?              ?         
1 1 1 0   0  19 o 8.424818  0.6768015     73.08398       11.22928  73.08398       11.22928      ?              ?         
1 1 1 0   0  20 o 4.120914  0.9399857     19.82546       6.750542  19.82546       6.750542      ?              ?         
1 1 1 0   0  21 o 1.429169  0.9383033     -0.5350159     6.741074  -0.5350159     6.741074      ?              ?         
1 1 1 0   0  22 o 4.004975  1.108918      20.61921       7.681964  20.61921       7.681964      ?              ?         
1 1 1 0   0  23 o 5.374013  0.9297967     34.19247       9.097402  34.19247       9.097402      ?              ?         
1 1 1 0   0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   0  25 o 1.955744  1.233082      9.507972       10.21297  9.507972       10.21297      ?              ?         
1 1 1 0   2  0  o 12.88922  0.1456802     657.3033       14.43422  -0.6145260     0.1344467     25.48818       0.2913605 
1 1 1 0   2  1  o 8.675817  0.2160661     92.33459       5.234406  59.85587       5.185752      1.876120       0.4321322 
1 1 1 0   2  2  o 4.273464  0.1592716     16.65845       1.910006  19.93182       1.918521      -0.3846337     0.3185431 
1 1 1 0   2  3  o 27.08342  1.486494      757.0591       112.9842  739.0382       112.9606      0.3346909      2.972989  
1 1 1 0   2  4  o 20.16763  1.091738      415.3304       61.80762  409.3784       61.79372      0.1484013      2.183476  
1 1 1 0   2  5  o 30.44995  1.691226      948.8889       144.4576  956.7209       144.5181      -0.1290743     3.382451  
1 1 1 0   2  6  o 40.44228  2.295983      1729.157       260.3788  1715.157       260.4709      0.1750161      4.591967  
1 1 1 0   2  7  o 44.16744  2.571629      2167.620       318.2928  2038.872       318.2694      1.468370       5.143259  
1 1 1 0   2  8  o 49.96113  3.081587      2831.475       430.8802  2890.123       431.2876      -0.5847090     6.163175  
1 1 1 0   2  9  o 6.937673  0.3888567     44.61557       7.551404  52.29993       7.555856      -0.5586662     0.7777134 
1 1 1 0   2  10 o 20.52713  1.152955      424.4245       66.29547  453.8489       66.42468      -0.7201047     2.305910  
1 1 1 0   2  11 o 23.91516  1.355382      593.4603       90.82338  618.5522       90.96980      -0.5259105     2.710764  
1 1 1 0   2  12 o 31.39914  1.848523      1049.598       162.4362  1108.677       162.8107      -0.9410561     3.697046  
1 1 1 0   2  13 o 16.67814  0.9226606     269.5848       43.06307  300.0042       43.20786      -0.9174362     1.845321  
1 1 1 0   2  14 o 6.600777  0.4190686     50.97206       7.752996  36.97492       7.611495      1.073037       0.8381371 
1 1 1 0   2  15 o 21.14941  0.9547228     467.1411       69.48878  456.6414       49.23236      0.2154163E-01  1.909446  
1 1 1 0   2  16 o 1.784716  0.4723059     4.323081       3.434450  -0.3030215     3.447323      0.6308206      0.9446118 
1 1 1 0   2  17 o 15.95894  0.6344572     260.6548       28.49491  259.9616       28.55153      0.2249382E-01  1.268914  
1 1 1 0   2  18 o 9.383844  0.4141747     88.49118       10.87983  90.27951       10.99622      -0.9415440E-01 0.8283494 
1 1 1 0   2  19 o 4.767983  0.5087897     27.61861       6.939968  19.86049       6.287247      0.8132491      1.017579  
1 1 1 0   2  20 o 5.677626  0.4741906     32.39983       7.424422  35.02593       7.501799      -0.2321408     0.9483811 
1 1 1 0   2  21 o 4.799894  0.5675688     28.98766       7.372627  20.85096       7.444285      0.8776079      1.135138  
1 1 1 0   2  22 o 3.148985  0.6685894     1.781836       7.466331  20.23811       7.637405      -1.919587      1.337179  
1 1 1 0   2  23 o 3.252247  0.6666806     25.76868       8.328194  -0.5937167     8.343019      2.448109       1.333361  
1 1 1 0   2  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   2  25 o 2.415704  0.7379888     2.378977       10.21438  22.43512       10.51200      -1.076676      1.475978  
1 1 1 0   4  0  o 10.36613  0.1605032     407.8994       10.82080  0.2802849      0.2199586     19.65286       0.3210064 
1 1 1 0   4  1  o 11.72296  0.7423531     135.5556       29.80332  140.6780       21.08442      -0.2739132     1.484706  
1 1 1 0   4  2  o 44.13798  1.657144      2082.410       206.0512  1889.694       205.9386      2.190783       3.314289  
1 1 1 0   4  3  o 50.96629  1.945928      2682.154       279.4296  2661.656       279.5140      0.2021253      3.891855  
1 1 1 0   4  4  o 16.78313  0.6338933     284.4897       29.97699  282.1324       29.98587      0.7046334E-01  1.267787  
1 1 1 0   4  5  o 46.80473  1.766251      2268.887       232.9492  2239.911       232.9948      0.3107118      3.532501  
1 1 1 0   4  6  o 38.95675  1.482043      1581.900       162.6821  1528.344       162.6797      0.6895039      2.964086  
1 1 1 0   4  7  o 6.039989  0.2417463     41.23042       4.101106  31.98470       4.087090      0.7695738      0.4834926 
1 1 1 0   4  8  o 25.02235  0.9569434     627.3697       67.43887  648.2206       67.49640      -0.4175394     1.913887  
1 1 1 0   4  9  o 15.48516  0.5924558     236.3060       25.82812  248.5709       25.86438      -0.3970665     1.184912  
1 1 1 0   4  10 o 10.22503  0.3957562     105.7069       11.39529  104.9611       11.40843      0.3667365E-01  0.7915125 
1 1 1 0   4  11 o 24.37975  0.9163946     601.3455       62.92180  619.1031       62.99613      -0.3644975     1.832789  
1 1 1 0   4  12 o 35.68821  1.413314      1333.552       142.0228  1348.467       142.1572      -0.2078287     2.826627  
1 1 1 0   4  13 o 28.00788  1.089697      805.3504       85.94867  810.0602       86.03307      -0.8352204E-01 2.179395  
1 1 1 0   4  14 o 9.013650  0.4237325     79.48108       9.276467  86.28598       13.14710      -0.3481197     0.8474651 
1 1 1 0   4  15 o 11.29059  0.6389343     121.4200       20.14318  137.6549       20.27209      -0.7235249     1.277869  
1 1 1 0   4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   4  17 o 10.44970  0.9181731     112.2943       26.43148  118.3172       26.66051      -0.2879407     1.836346  
1 1 1 0   4  18 o 2.503978  0.6973708     3.369995       7.023973  4.541456       7.514827      -0.1645544     1.394742  
1 1 1 0   4  19 o 7.257962  0.6003939     45.12561       11.41250  65.50253       12.57228      -1.395555      1.200788  
1 1 1 0   4  20 o 3.236370  0.7985894     6.034565       8.489356  16.34941       10.14254      -1.049771      1.597179  
1 1 1 0   4  21 o 4.271460  0.8237837     23.86898       9.545346  19.44849       11.55090      0.5256125      1.647567  
1 1 1 0   4  22 o 2.237732  0.7169116     -8.561269      9.319884  6.469855       11.83246      -0.9405673     1.433823  
1 1 1 0   4  23 o 5.382618  0.9226362     41.76263       12.67619  48.94268       15.60097      -0.9472260E-01 1.845272  
1 1 1 0   4  24 o 2.629213  1.241554      12.37899       17.10758  ?              ?             ?              ?         
1 1 1 0   4  25 o 1.544422  0.5489321     -14.29422      10.64010  -13.46704      10.74473      -0.2183498E-01 1.097864  
1 1 1 0   6  0  o 20.74683  1.288780      376.6630       89.87158  474.7997       63.70685      -2.532275      2.577560  
1 1 1 0   6  1  o 22.34891  1.218838      471.7695       76.28722  541.3329       76.38712      -1.568285      2.437675  
1 1 1 0   6  2  o 30.89191  1.172560      1001.511       102.0662  930.6307       102.0007      1.150984       2.345119  
1 1 1 0   6  3  o 46.77168  1.805883      2219.080       237.7911  2282.234       238.1606      -0.6751243     3.611767  
1 1 1 0   6  4  o 54.60786  2.140272      3077.840       329.1185  3145.856       329.4108      -0.6226278     4.280543  
1 1 1 0   6  5  o 62.44866  2.474705      4098.691       435.1345  4213.570       435.5183      -0.9191877     4.949410  
1 1 1 0   6  6  o 23.18035  0.8854163     533.1327       57.79850  554.8658       57.85616      -0.4699704     1.770833  
1 1 1 0   6  7  o 30.03968  1.143522      905.1027       96.73101  942.8372       96.84113      -0.6292245     2.287045  
1 1 1 0   6  8  o 21.82399  0.8344143     485.3141       51.29842  485.0995       51.33110      0.5191041E-02  1.668829  
1 1 1 0   6  9  o 16.96055  0.6448221     287.2158       30.79361  296.3653       30.83951      -0.2701867     1.289644  
1 1 1 0   6  10 o 7.885772  0.3123087     66.10580       6.919294  58.82130       6.943712      0.4640879      0.6246173 
1 1 1 0   6  11 o 27.47037  1.053994      772.8060       81.53039  785.6175       81.63786      -0.2327104     2.107988  
1 1 1 0   6  12 o 38.78393  1.538792      1568.985       167.9688  1614.756       168.2513      -0.5882056     3.077583  
1 1 1 0   6  13 o 19.45323  0.7544753     390.6120       41.32880  378.0140       41.37030      0.3251514      1.508951  
1 1 1 0   6  14 o 6.041408  0.2981113     42.29638       4.979175  31.08108       5.068317      0.9374530      0.5962226 
1 1 1 0   6  15 o 9.637039  0.3981517     96.14958       10.75457  91.03366       10.85128      0.2672181      0.7963034 
1 1 1 0   6  16 o 9.666856  0.4424633     103.4657       11.15706  84.12688       12.92281      1.028584       0.8849266 
1 1 1 0   6  17 o 19.20712  0.7655396     385.2866       41.32031  379.1850       41.51860      0.1627022      1.531079  
1 1 1 0   6  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   6  19 o 15.26583  0.6814046     261.1365       31.33830  234.9227       27.49409      0.7399397      1.362809  
1 1 1 0   6  20 o 14.62457  0.6220571     250.0063       25.60303  209.0686       25.49609      1.403023       1.244114  
1 1 1 0   6  21 f 10.04333  0.5033435     110.5213       14.12258  106.5573       14.28567      0.2073245      1.006687  
1 1 1 0   6  22 o 2.907391  0.7376548     13.24321       7.707088  6.920761       8.198388      0.6145757      1.475310  
1 1 1 0   6  23 o 2.485018  0.7393788     8.254035       8.540772  5.734027       9.245576      0.1532445      1.478758  
1 1 1 0   6  24 f 2.498158  0.8037662     6.442331       9.841704  21.33540       16.26419      -0.5713630     1.607532  
1 1 1 0   8  0  o 37.26622  2.031372      1325.719       212.0859  1513.310       212.2458      -2.536201      4.062744  
1 1 1 0   8  1  o 22.23858  1.216959      487.3725       75.99133  520.1552       75.84973      -0.7428985     2.433918  
1 1 1 0   8  2  o 13.35367  0.4877285     184.7442       18.35635  173.4522       18.34979      0.4241095      0.9754570 
1 1 1 0   8  3  o 21.43949  0.8033158     492.3575       48.51750  434.5083       48.45786      1.354323       1.606632  
1 1 1 0   8  4  o 10.83733  0.4094321     125.2483       12.49395  110.4611       12.48863      0.6850210      0.8188641 
1 1 1 0   8  5  o 1.803613  0.2124811     3.956633       1.006229  2.570029       1.086429      0.4000475      0.4249622 
1 1 1 0   8  6  o 6.906077  0.2750274     48.17962       5.336358  47.63547       5.364587      0.3969177E-01  0.5500547 
1 1 1 0   8  7  o 1.332312  0.2863397     2.683401       1.243872  0.4576544      1.347443      0.5652061      0.5726794 
1 1 1 0   8  8  o 13.01724  0.5052115     174.6957       18.51558  167.5294       18.53789      0.2763308      1.010423  
1 1 1 0   8  9  o 14.70115  0.5665057     220.7369       23.44562  216.8403       23.48678      0.1332566      1.133011  
1 1 1 0   8  10 o 28.82015  1.122679      860.6708       91.08405  862.8953       91.24062      -0.3684746E-01 2.245358  
1 1 1 0   8  11 o 8.081085  0.3266264     69.72166       7.399555  61.41005       7.453493      0.5170709      0.6532529 
1 1 1 0   8  12 o 7.185043  0.3102916     59.49720       6.202053  44.30032       6.263632      1.065282       0.6205831 
1 1 1 0   8  13 o 14.45092  0.5641913     220.4407       22.92183  201.1682       22.99160      0.6699533      1.128383  
1 1 1 0   8  14 o 12.16555  0.5226511     159.7819       16.68321  137.3206       19.26386      0.9520041      1.045302  
1 1 1 0   8  15 o 5.692200  0.4314724     35.33193       7.358104  31.00276       6.393035      0.3690399      0.8629448 
1 1 1 0   8  16 o 12.46825  0.5032144     160.7613       17.55605  154.8411       17.78633      0.2408178      1.006429  
1 1 1 0   8  17 o 21.80036  0.8756486     521.6303       53.68614  479.1977       53.79174      0.9795465      1.751297  
1 1 1 0   8  18 o 14.18718  0.6327624     228.2329       26.97214  193.0113       23.68479      1.166540       1.265525  
1 1 1 0   8  19 o 6.750887  0.4520010     46.58119       8.286430  48.15435       8.790276      -0.1019752     0.9040021 
1 1 1 0   8  20 o 15.63977  0.6749424     288.6188       29.70944  250.7550       29.62392      1.212407       1.349885  
1 1 1 0   8  21 o 7.147360  0.5053556     58.69752       9.866928  52.71216       10.27534      0.4525216      1.010711  
1 1 1 0   8  22 o 2.716509  0.7258185     14.80211       8.160526  1.157566       8.822889      1.103316       1.451637  
1 1 1 0   8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   8  24 o 2.133715  0.7037038     2.435349       10.11269  8.183590       10.80060      -0.2536525     1.407408  
1 1 1 0   10 0  o 10.95425  0.5713226     129.7753       17.56141  111.4709       17.53274      0.8417283      1.142645  
1 1 1 0   10 1  o 26.01241  1.414336      630.4648       102.9582  763.0217       102.9992      -2.570559      2.828672  
1 1 1 0   10 2  o 16.03719  0.5663054     256.3365       23.96535  262.5333       27.63450      -0.1769753     1.132611  
1 1 1 0   10 3  o 4.716984  0.1869598     25.82753       2.454864  18.87459       2.474336      0.7415233      0.3739195 
1 1 1 0   10 4  o 22.03964  0.8073376     534.8125       50.10556  450.1025       50.00325      1.929386       1.614675  
1 1 1 0   10 5  o 33.66911  1.295283      1250.061       122.8272  1107.276       122.6818      2.127739       2.590566  
1 1 1 0   10 6  o 20.02688  0.7602592     434.3001       42.87526  381.3246       42.83825      1.327858       1.520518  
1 1 1 0   10 7  o 18.00886  0.6905414     346.0909       35.01652  312.5792       35.01531      0.9340828      1.381083  
1 1 1 0   10 8  o 14.72113  0.5651464     236.1153       23.40842  201.9723       23.40068      1.164896       1.130293  
1 1 1 0   10 9  o 8.866857  0.3550604     84.44135       8.831503  73.55049       8.882433      0.6174342      0.7101209 
1 1 1 0   10 10 o 1.733663  0.3381262     5.734731       2.095748  -1.210823      2.292078      1.254184       0.6762524 
1 1 1 0   10 11 o 24.26614  0.9423225     624.1509       64.36427  579.3932       64.43378      0.9262332      1.884645  
1 1 1 0   10 12 o 24.02142  0.9291990     601.3570       62.81318  579.2024       62.95402      0.4638993      1.858398  
1 1 1 0   10 13 o 4.918607  0.3106830     25.73753       4.109208  22.86608       4.454678      0.2998726      0.6213659 
1 1 1 0   10 14 o 15.49980  0.6110699     263.5486       26.61278  223.8902       26.65675      1.286002       1.222140  
1 1 1 0   10 15 o 9.765672  0.4221493     109.9694       11.43680  82.78784       11.62163      1.403299       0.8442986 
1 1 1 0   10 16 o 11.24972  0.4730320     135.8989       14.80554  120.8795       15.13773      0.6753436      0.9460639 
1 1 1 0   10 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   10 18 o 6.537614  0.4484051     45.01845       7.959610  43.21775       8.431526      0.1522672      0.8968103 
1 1 1 0   10 19 o 5.264872  0.5409559     27.72590       7.565622  31.77140       8.068253      -0.3675175     1.081912  
1 1 1 0   10 20 o 9.870825  0.5069736     102.3410       13.84340  107.5037       14.27537      -0.2395562     1.013947  
1 1 1 0   10 21 o 1.980203  0.6430349     -3.461380      7.820271  -1.452155      8.649087      -0.1977717     1.286070  
1 1 1 0   10 22 o 5.212174  0.7116472     35.28293       9.758335  37.31729       10.50676      -0.7130270E-01 1.423294  
1 1 1 0   10 23 o 2.870160  0.8210332     17.73498       10.00681  13.15110       11.06616      0.3778809      1.642066  
1 1 1 0   12 0  f 17.15453  0.9231477     315.3853       44.44475  281.3645       44.36977      0.9984447      1.846295  
1 1 1 0   12 1  o 8.642270  0.4790412     72.94974       11.60511  78.03780       11.61711      -0.2963126     0.9580825 
1 1 1 0   12 2  o 12.61489  0.6818138     154.7653       24.12695  168.6221       24.12693      -0.5530369     1.363628  
1 1 1 0   12 3  o 10.81603  0.4181558     117.5454       13.73493  118.1292       11.93989      -0.3886966E-01 0.8363116 
1 1 1 0   12 4  o 21.98371  0.8172396     531.5002       50.62375  454.6219       50.48155      1.754683       1.634479  
1 1 1 0   12 5  o 32.05028  1.265985      1111.289       114.3594  1043.712       114.1748      1.055489       2.531970  
1 1 1 0   12 6  o 14.46117  0.5522286     226.9195       22.48476  195.6774       22.45611      1.084771       1.104457  
1 1 1 0   12 7  o 11.78341  0.4552334     149.7183       15.09195  129.9732       15.09664      0.8416139      0.9104667 
1 1 1 0   12 8  f 29.62932  1.154748      944.7955       96.38264  873.5402       96.31702      1.206225       2.309496  
1 1 1 0   12 9  o 14.40125  0.5545400     227.0852       22.46673  191.2684       22.44937      1.249292       1.109080  
1 1 1 0   12 10 o 15.10395  0.5792483     254.6289       24.59830  205.9199       24.55242      1.620191       1.158497  
1 1 1 0   12 11 o 14.55445  0.5685250     236.1557       23.24411  191.5621       23.23895      1.539821       1.137050  
1 1 1 0   12 12 o 7.944180  0.3500298     72.40391       7.671819  54.52712       7.876853      1.135108       0.7000595 
1 1 1 0   12 13 o 8.903802  0.3812000     81.02473       9.424331  78.83372       9.689872      0.1257180      0.7624001 
1 1 1 0   12 14 o 13.46632  0.5550576     213.1938       20.85794  155.8657       20.90895      2.142547       1.110115  
1 1 1 0   12 15 o 23.47203  0.9492242     605.2748       62.73035  556.1591       62.70440      1.050037       1.898448  
1 1 1 0   12 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   12 17 o 11.41162  0.5129290     156.2257       16.24877  112.9272       16.39395      1.914963       1.025858  
1 1 1 0   12 18 o 1.972128  0.6220481     -1.489959      6.647727  -2.457958      7.486700      -0.6225374E-01 1.244096  
1 1 1 0   12 19 o 6.800963  0.5137713     50.57068       9.429682  48.68698       10.05369      0.1736940      1.027543  
1 1 1 0   12 20 o 8.850387  0.5228201     83.41274       12.68245  90.08160       13.25794      -0.3371514     1.045640  
1 1 1 0   12 21 o 1.777117  0.6057529     -11.24479      8.623940  -5.049685      9.619862      -0.3242984     1.211506  
1 1 1 0   12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   12 23 o 2.597476  0.7753862     0.8144041      10.78732  30.24755       12.30620      -1.493379      1.550772  
1 1 1 0   14 0  o 14.68217  0.7208921     215.3970       29.73918  221.0394       29.75847      -0.1930060     1.441784  
1 1 1 0   14 1  o 8.823903  0.4696521     90.20554       11.57370  67.07918       11.54569      1.323103       0.9393042 
1 1 1 0   14 2  o 30.09526  1.736772      927.9743       146.3005  1049.557       146.3847      -2.036053      3.473545  
1 1 1 0   14 3  o 18.42007  0.6974040     343.4477       36.20732  346.5816       36.19634      -0.8541298E-01 1.394808  
1 1 1 0   14 4  o 11.57653  0.4209522     133.7571       13.72535  136.2917       13.74793      -0.1096254     0.8419045 
1 1 1 0   14 5  o 30.05673  1.210860      998.7394       110.4971  892.1567       95.68515      1.593037       2.421720  
1 1 1 0   14 6  o 12.47861  0.5120806     164.6314       19.37560  151.0638       16.83674      0.5271903      1.024161  
1 1 1 0   14 7  o 25.42805  0.9802243     705.0975       70.28663  618.8299       70.01133      1.701034       1.960449  
1 1 1 0   14 8  o 17.85246  0.6850069     337.1317       34.46815  308.2071       34.40876      0.8127311      1.370014  
1 1 1 0   14 9  o 28.47202  1.108594      875.9395       88.96417  794.2034       88.76926      1.439129       2.217189  
1 1 1 0   14 10 o 19.51630  0.7609792     412.3775       41.83855  361.9475       41.75037      1.296916       1.521958  
1 1 1 0   14 11 o 7.703939  0.3485265     63.43246       7.411499  55.79468       7.687611      0.5011438      0.6970530 
1 1 1 0   14 12 o 16.70253  0.7718039     318.0602       43.61542  263.5048       30.99330      1.473678       1.543608  
1 1 1 0   14 13 o 11.69931  0.5127421     147.6971       17.98777  131.4055       15.90370      0.6748804      1.025484  
1 1 1 0   14 14 o 9.558361  0.4701420     114.8566       13.17671  72.68661       11.83510      2.203878       0.9402840 
1 1 1 0   14 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   14 16 o 29.07143  1.301599      1063.492       106.5483  948.0616       106.1307      1.974308       2.603198  
1 1 1 0   14 17 o 7.770229  0.4716415     62.47386       9.961486  63.53217       10.59849      -0.4762800E-01 0.9432831 
1 1 1 0   14 18 o 3.028312  0.7128787     2.260719       7.466337  17.16422       8.365211      -1.535749      1.425757  
1 1 1 0   14 19 o 4.831030  0.6802335     33.19468       8.666780  20.68496       9.708797      1.382253       1.360467  
1 1 1 0   14 20 o 3.040365  0.7981120     8.217868       8.717263  17.22117       10.02159      -0.7838087     1.596224  
1 1 1 0   14 21 o 2.864113  1.009488      -41.72432      35.84676  63.44928       36.03072      -1.149159      2.018977  
1 1 1 0   14 22 o 2.538037  0.7920343     5.997521       10.71493  20.29492       12.27012      -0.7091349     1.584069  
1 1 1 0   16 0  o 24.14454  1.290393      629.5498       87.42751  564.5657       87.33633      1.354787       2.580786  
1 1 1 0   16 1  o 4.239564  0.2852884     17.70750       3.373722  18.62065       3.384051      -0.1086167     0.5705768 
1 1 1 0   16 2  o 17.80908  0.9625625     341.7899       48.10334  309.2069       48.04871      0.9208068      1.925125  
1 1 1 0   16 3  o 18.21160  0.9983185     329.7957       50.99842  352.2877       51.00220      -0.6216864     1.996637  
1 1 1 0   16 4  o 3.294992  0.1955494     11.64278       1.702207  10.04404       1.921764      0.2491351      0.3910988 
1 1 1 0   16 5  o 2.533216  0.2716283     8.717752       1.731954  4.231253       1.943576      0.9216956      0.5432566 
1 1 1 0   16 6  o 7.888159  0.3281746     68.93827       7.212623  55.96746       7.321603      0.8278648      0.6563492 
1 1 1 0   16 7  o 13.98066  0.5310407     211.8850       20.91241  182.2081       20.86797      1.065729       1.062081  
1 1 1 0   16 8  o 5.954429  0.2897510     36.69496       4.712848  34.54374       4.996838      0.1842117      0.5795019 
1 1 1 0   16 9  o 25.18422  0.9735178     695.3652       69.17865  610.7911       68.82087      1.682202       1.947036  
1 1 1 0   16 10 o 9.632009  0.4056792     99.90353       10.88882  86.90868       11.08854      0.6799466      0.8113583 
1 1 1 0   16 11 o 8.258243  0.3871105     76.15882       8.816928  61.18893       9.104282      0.9164718      0.7742209 
1 1 1 0   16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   16 13 o 3.461833  0.5863379     8.024350       5.415709  17.38533       6.183041      -1.259972      1.172676  
1 1 1 0   16 14 o 3.703178  0.8254834     22.75120       11.37911  6.886129       9.036882      1.607322       1.650967  
1 1 1 0   16 15 o 3.980191  0.6295055     22.12738       6.807144  10.73718       7.700624      1.363235       1.259011  
1 1 1 0   16 16 o 8.395014  0.4947771     86.78819       11.24750  60.27898       11.73133      1.617827       0.9895542 
1 1 1 0   16 17 o 3.807703  0.7489668     14.47198       7.831279  19.89021       8.986182      -0.5773708     1.497934  
1 1 1 0   16 18 o 3.818110  0.7935082     14.34444       8.543994  23.05269       9.961681      -0.8577453     1.587016  
1 1 1 0   16 19 o 6.653022  0.6402419     58.92258       11.14084  46.57009       12.23650      1.094996       1.280484  
1 1 1 0   16 20 o 3.085453  0.8434141     21.11157       10.49545  9.050710       11.96539      0.9050694      1.686828  
1 1 1 0   16 21 o 2.175273  0.7284048     -0.7677302     11.13494  7.744876       12.84703      -0.3530232     1.456810  
1 1 1 0   18 0  o 37.27485  1.969977      1630.941       205.5332  1276.978       204.9473      4.786833       3.939955  
1 1 1 0   18 1  o 10.27149  0.5394567     130.3709       15.44134  83.93485       15.20325      2.281571       1.078913  
1 1 1 0   18 2  o 18.72862  1.007367      400.5389       52.88894  319.3539       52.63771      2.184798       2.014734  
1 1 1 0   18 3  o 9.276996  0.5229365     92.20322       13.57057  81.74763       13.61305      0.5685558      1.045873  
1 1 1 0   18 4  o 18.98129  0.7459066     388.8116       43.05348  347.1191       37.17407      1.052248       1.491813  
1 1 1 0   18 5  o 11.54704  0.4248321     138.5556       13.78905  129.9008       13.85658      0.3764161      0.8496642 
1 1 1 0   18 6  o 12.66007  0.4823388     169.3157       17.16975  153.9300       17.22347      0.6103796      0.9646776 
1 1 1 0   18 7  o 16.09882  0.6159505     277.1365       27.90123  248.3648       27.93615      0.8975270      1.231901  
1 1 1 0   18 8  o 29.58989  1.164209      952.0815       97.08524  890.2963       96.94051      1.045517       2.328419  
1 1 1 0   18 9  o 26.69388  1.061404      801.4561       79.82722  694.0241       79.56236      2.017247       2.122807  
1 1 1 0   18 10 o 15.41195  0.7153172     267.5937       31.00809  220.7078       30.84728      1.528900       1.430634  
1 1 1 0   18 11 o 14.21224  0.5767958     216.7152       23.01672  196.2387       23.12717      0.7251862      1.153592  
1 1 1 0   18 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   18 13 o 3.955748  0.6244029     18.69865       6.383156  13.98677       7.637155      0.6013355      1.248806  
1 1 1 0   18 14 o 10.17894  0.4965422     115.5208       13.94716  98.88093       14.42713      0.8372253      0.9930844 
1 1 1 0   18 15 o 4.658798  0.6529887     27.30231       7.857320  19.54486       9.113465      0.9003317      1.305977  
1 1 1 0   18 16 f 2.418527  0.6776893     11.07422       7.798195  -10.81431      9.319839      1.291945       1.355379  
1 1 1 0   18 17 o 3.227216  0.8062729     15.27991       8.703670  9.423638       10.34934      0.5191954      1.612546  
1 1 1 0   18 18 o 4.973759  0.7887707     33.75906       10.13468  32.79607       11.84586      0.3366384      1.577541  
1 1 1 0   18 19 o 2.784569  0.9089622     7.557809       12.70529  22.67380       23.08258      -0.5218534     1.817924  
1 1 1 0   18 20 o 3.723842  0.9542883     25.29289       12.05443  40.57215       14.26191      -0.7993283     1.908577  
1 1 1 0   18 21 o 2.131084  0.7331880     4.852265       12.74724  14.21783       15.51141      -0.2335365     1.466376  
1 1 1 0   20 0  o 23.58303  1.182333      630.7115       78.29385  508.8453       77.89504      2.601136       2.364666  
1 1 1 0   20 1  o 12.78919  0.8532022     197.8264       24.98893  132.6198       34.92969      2.759171       1.706404  
1 1 1 0   20 2  o 3.530673  0.4412356     13.72197       4.174479  11.94799       4.317758      0.2606163      0.8824711 
1 1 1 0   20 3  o 1.893806  0.5128657     -0.6743822     3.950392  4.914341       4.288061      -0.7338548     1.025731  
1 1 1 0   20 4  o 21.75637  1.248242      505.7427       76.18752  500.1714       76.11554      0.1276226      2.496485  
1 1 1 0   20 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   20 6  o 5.884425  0.3081923     39.99244       4.865827  29.54373       5.240784      0.9024233      0.6163846 
1 1 1 0   20 7  o 26.26236  0.9952926     740.8655       73.72692  708.1907       73.56715      0.6211455      1.990585  
1 1 1 0   20 8  o 20.65529  0.8063757     480.6375       46.87455  404.7489       46.78218      1.844351       1.612751  
1 1 1 0   20 9  o 7.931514  0.4079374     67.49598       8.741680  59.64887       9.455785      0.5093443      0.8158748 
1 1 1 0   20 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   20 11 o 2.485555  0.6531695     -0.3748749     6.142145  9.986577       7.210923      -1.143156      1.306339  
1 1 1 0   20 12 o 3.166122  0.7055318     6.667077       6.547080  15.20060       8.006762      -1.037253      1.411064  
1 1 1 0   20 13 o 3.235140  0.7436405     9.131217       7.081295  14.25486       8.717743      -0.6085835     1.487281  
1 1 1 0   20 14 o 2.558978  0.7089224     -3.618514      7.662667  12.83703       9.382430      -1.430804      1.417845  
1 1 1 0   20 15 f 4.529484  0.7532030     24.38927       8.735391  25.43691       10.53922      0.2920748E-01  1.506406  
1 1 1 0   20 16 o 2.573639  0.7506708     11.89424       9.035437  -5.305830      10.94537      0.9347022      1.501342  
1 1 1 0   20 17 o 2.305076  0.7436342     -1.143948      9.782354  4.639008       11.93195      -0.4086492     1.487268  
1 1 1 0   20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   20 19 o 2.462540  0.7998325     16.35595       12.08270  4.613346       14.66038      0.4619970      1.599665  
1 1 1 0   22 0  o 12.44938  0.6681479     158.3808       23.38838  156.7820       23.31366      0.6392229E-01  1.336296  
1 1 1 0   22 1  o 18.52099  1.039289      404.8996       53.86823  319.8077       53.65294      2.316191       2.078578  
1 1 1 0   22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   22 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   22 4  o 2.662978  0.6493486     10.26056       6.180238  1.297910       6.623697      0.9403468      1.298697  
1 1 1 0   22 5  o 10.74198  0.6643544     126.8581       19.99419  111.4452       19.91042      0.7228763      1.328709  
1 1 1 0   22 6  o 5.927605  0.3323678     40.07715       5.389773  30.79644       5.606206      0.7953427      0.6647356 
1 1 1 0   22 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   22 8  o 3.302025  0.5557379     11.89093       4.736360  11.26421       5.661061      0.1025641      1.111476  
1 1 1 0   22 9  o 10.49809  0.4592395     117.2214       13.33546  108.8764       13.80338      0.4096351      0.9184789 
1 1 1 0   22 10 o 10.61137  0.5054186     131.5094       14.71155  101.9983       15.28403      1.419219       1.010837  
1 1 1 0   22 11 f 4.937053  0.6213506     35.28075       7.758338  16.58364       9.185010      1.976671       1.242701  
1 1 1 0   22 12 o 4.132703  0.7330852     19.80887       7.775754  19.79113       9.744956      0.9050579E-01  1.466170  
1 1 1 0   22 13 o 4.283978  0.7285420     30.30887       8.797173  11.14010       10.69000      1.986435       1.457084  
1 1 1 0   22 14 o 2.509423  0.7643458     -1.942714      9.416695  9.758316       11.18572      -0.8278884     1.528692  
1 1 1 0   22 15 o 3.946116  0.7907909     34.23602       10.44308  6.012709       12.47627      2.434718       1.581582  
1 1 1 0   22 16 f 2.911120  0.8587793     7.000331       10.91358  21.95118       13.48728      -0.8833021     1.717559  
1 1 1 0   22 17 o 2.656993  1.326022      ?              ?         14.14253       28.67503      ?              ?         
1 1 1 0   22 18 o 2.035294  0.7017238     13.32654       13.02944  -21.49849      16.41028      0.6556683      1.403448  
1 1 1 0   24 0  o 10.29637  0.6808291     118.9336       23.95737  103.1647       16.88471      0.6569660      1.361658  
1 1 1 0   24 1  o 3.157035  0.6232280     8.946851       5.753517  12.16454       5.869184      -0.4393034     1.246456  
1 1 1 0   24 2  o 9.302704  0.7319454     109.8982       15.67720  69.26081       21.08786      2.422998       1.463891  
1 1 1 0   24 3  o 7.807878  0.5825500     84.07250       12.61212  44.17199       11.87001      2.588111       1.165100  
1 1 1 0   24 4  o 3.004757  0.7555178     1.917286       8.152903  14.48917       9.158724      -1.244357      1.511036  
1 1 1 0   24 5  o 7.926487  0.6541858     78.69476       14.42979  53.87652       14.00538      1.586919       1.308372  
1 1 1 0   24 6  o 8.623322  0.3869737     79.63365       9.351325  72.34378       9.414831      0.4262780      0.7739474 
1 1 1 0   24 7  o 10.55618  0.4299527     125.6958       12.74579  103.7363       12.75240      1.045976       0.8599055 
1 1 1 0   24 8  o 4.226904  0.5450217     22.22979       5.927802  15.22701       6.825906      0.8884324      1.090043  
1 1 1 0   24 9  o 13.07363  0.5885012     205.3707       21.56431  162.1433       21.53542      1.663396       1.177002  
1 1 1 0   24 10 o 2.815151  0.7167405     11.53224       7.105519  3.020299       8.482209      0.7287380      1.433481  
1 1 1 0   24 11 o 8.630507  0.5416778     90.56859       12.63632  72.11371       13.41594      1.137738       1.083356  
1 1 1 0   24 12 o 2.838152  0.7941662     5.087985       8.969362  13.22623       10.36677      -0.6867644     1.588332  
1 1 1 0   24 13 o 3.014988  0.8335429     13.97777       9.525772  9.416951       11.75675      0.3250822      1.667086  
1 1 1 0   24 14 o 3.884569  0.9133750     28.08705       11.02790  22.82231       13.70424      0.7189098      1.826750  
1 1 1 0   24 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   26 0  o 3.348473  0.5008600     17.02004       4.980124  6.704121       4.433791      1.490174       1.001720  
1 1 1 0   26 1  o 5.849547  0.5326588     36.17299       8.698208  36.62723       8.520923      -0.4746987E-01 1.065318  
1 1 1 0   26 2  o 2.316563  0.6894574     -0.8471404     7.595298  4.388425       8.026696      -0.4412356     1.378915  
1 1 1 0   26 3  o 6.380798  0.6717964     47.65261       11.55984  41.60336       11.91818      0.5069950      1.343593  
1 1 1 0   26 4  o 2.312161  0.7353901     0.8023899      10.06166  -6.680994      10.37794      0.3428079      1.470780  
1 1 1 0   26 5  o 3.376357  0.9027391     12.66471       11.21443  11.15358       12.52681      0.6410654E-01  1.805478  
1 1 1 0   26 6  o 3.378608  0.9146621     3.318742       12.35436  21.00218       13.65941      -1.267490      1.829324  
1 1 1 0   26 7  o 5.331364  0.4703349     26.49496       7.440140  33.59743       6.447384      -0.7480975     0.9406697 
1 1 1 0   26 8  o 4.127718  0.5681941     17.02242       6.151953  21.63969       6.627439      -0.5276918     1.136388  
1 1 1 0   26 9  o 1.966841  0.5983484     6.782380       6.883281  -12.23985      7.768854      1.009647       1.196697  
1 1 1 0   26 10 o 3.234166  0.9661580     30.13510       18.52029  3.235001       14.15362      1.362955       1.932316  
1 1 1 0   26 11 o 3.804971  1.121263      45.49245       21.01758  20.44112       21.21889      1.135347       2.242525  
1 1 1 0   26 12 o 3.205235  1.083528      23.75636       22.35782  43.27120       36.87577      -0.1241082     2.167056  
1 1 1 0   26 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   28 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   28 1  o 1.661790  0.5485961     -14.09333      6.975650  0.6009669      7.255018      -0.7136563     1.097192  
1 1 1 0   28 2  o 3.467142  0.7414701     25.76404       9.400863  0.7043303      9.860171      2.214789       1.482940  
1 1 1 0   28 3  o 3.180708  0.8606522     8.884641       10.44236  16.16746       11.46322      -0.5859183     1.721304  
1 1 1 0   28 4  o 4.157863  0.9741833     29.55813       13.21920  20.84799       14.11095      0.7591195      1.948367  
1 1 1 0   28 5  o 2.836305  0.8890586     3.979585       13.83357  8.212666       14.55905      -0.2280923     1.778117  
1 1 1 0   28 6  o 2.669326  0.8677685     13.14970       15.37845  -14.57803      17.23426      0.8398039      1.735537  
1 1 1 0   28 7  o 3.045487  0.9656991     18.83871       16.68616  4.097249       18.93041      0.5319919      1.931398  
1 1 1 0   28 8  o 2.482388  0.8528947     -7.555748      18.28453  -1.387653      19.53136      -0.1842133     1.705789  
1 1 1 0   28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   28 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   28 11 o 4.116596  0.9489146     33.51530       11.82546  40.18159       13.70380      -0.1513642     1.897829  
1 1 1 0   30 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 0   30 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   1  1  o 0.1315672 0.6056488E-01 ?              ?         -0.2881234E-01 0.3674185E-01 ?              ?         
1 1 1 1   1  2  o 39.24295  3.029436      1592.917       235.9280  ?              ?             ?              ?         
1 1 1 1   1  3  o 24.92267  1.351225      615.8771       94.50680  647.2632       94.49406      -0.6337794     2.702451  
1 1 1 1   1  4  o 21.04970  1.154775      464.6665       68.26997  433.9751       68.09944      0.7331930      2.309551  
1 1 1 1   1  5  o 57.00589  3.374854      3613.846       538.9464  3470.944       539.1623      1.265015       6.749708  
1 1 1 1   1  6  o 44.96953  2.595614      2125.876       326.7719  2179.690       327.7299      -0.5939553     5.191228  
1 1 1 1   1  7  o 16.17695  1.028332      255.4814       40.19420  286.3931       56.91875      -0.8400218     2.056663  
1 1 1 1   1  8  f 22.50455  1.244775      492.5367       78.26136  547.3768       78.79230      -1.223219      2.489551  
1 1 1 1   1  9  o 11.87797  0.6443729     129.5457       21.32907  156.0269       21.53001      -1.122632      1.288746  
1 1 1 1   1  10 o 28.18427  1.280375      832.4468       124.0473  833.7474       88.00433      -0.5413948     2.560750  
1 1 1 1   1  11 o 30.30075  1.303858      948.3483       104.0768  992.1570       120.0248      -0.4893069     2.607715  
1 1 1 1   1  12 o 14.77426  0.6123277     222.3146       23.85730  219.6664       27.47334      0.1183297      1.224655  
1 1 1 1   1  13 o 10.63698  0.4462921     110.8835       14.38593  116.4419       12.53269      -0.2749309     0.8925841 
1 1 1 1   1  14 o 39.16252  1.571843      1630.044       173.4203  1618.491       173.3683      0.1472909      3.143685  
1 1 1 1   1  15 f 12.40734  0.4911908     156.8679       17.15994  153.9478       17.17616      0.1181708      0.9823816 
1 1 1 1   1  16 o 9.100926  0.3895213     82.05544       9.967653  85.04640       9.989580      -0.1647819     0.7790427 
1 1 1 1   1  17 o 1.561803  0.4903987     -3.615083      4.392436  0.1364685      4.457827      -0.3186997     0.9807975 
1 1 1 1   1  18 o 9.222968  0.4144202     88.60863       10.74041  83.98126       10.76357      0.2522981      0.8288404 
1 1 1 1   1  19 o 13.16546  0.5502546     184.4114       20.40395  173.1281       20.37891      0.4297291      1.100509  
1 1 1 1   1  20 o 4.452308  0.5500038     19.62466       6.609301  22.71527       6.723327      -0.3497493     1.100008  
1 1 1 1   1  21 o 8.321141  0.4578048     68.88975       10.63752  76.77867       10.72022      -0.4741041     0.9156097 
1 1 1 1   1  22 o 8.752343  0.4895587     79.29766       11.97366  87.60220       12.04418      -0.4733382     0.9791174 
1 1 1 1   1  23 o 3.212603  0.6913867     23.04609       8.126247  2.589050       8.266168      1.993359       1.382773  
1 1 1 1   1  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   1  25 f 2.467150  0.7451414     19.94970       9.843414  5.624096       10.01442      0.8610319      1.490283  
1 1 1 1   3  0  o 31.98783  2.506967      1049.351       159.1039  ?              ?             ?              ?         
1 1 1 1   3  1  o 15.68030  0.5779305     262.3536       25.53702  231.1199       25.49419      0.9997421      1.155861  
1 1 1 1   3  2  o 48.00836  1.710696      2331.334       231.4239  2374.574       231.6477      -0.4505497     3.421391  
1 1 1 1   3  3  o 26.76041  0.9845688     681.5583       74.08648  761.9956       74.31663      -1.507766      1.969138  
1 1 1 1   3  4  o 28.04508  1.039495      784.8338       82.21149  804.2983       82.11584      -0.3483610     2.078990  
1 1 1 1   3  5  o 30.61226  1.135161      895.8409       97.83114  1000.397       97.88976      -1.714033      2.270321  
1 1 1 1   3  6  o 28.20481  1.144095      789.9631       98.07674  821.2010       85.05450      -0.6205483     2.288190  
1 1 1 1   3  7  o 20.50682  0.7812342     432.2124       45.15756  417.1131       45.12349      0.3691399      1.562468  
1 1 1 1   3  8  o 20.35145  0.7745211     435.1076       44.42937  402.8659       44.36736      0.7945799      1.549042  
1 1 1 1   3  9  o 21.21632  0.7738044     448.8752       46.19181  465.9788       46.35283      -0.4030082     1.547609  
1 1 1 1   3  10 o 5.741770  0.3513699     34.06956       5.654098  32.56473       5.643886      0.1319908      0.7027397 
1 1 1 1   3  11 o 13.26140  0.7170902     149.0524       26.29214  209.6883       26.62498      -2.306257      1.434180  
1 1 1 1   3  12 o 5.838688  0.3772734     37.89280       6.127181  30.79596       6.155313      0.6157899      0.7545467 
1 1 1 1   3  13 o 26.62601  1.488444      683.6227       110.4560  809.8029       111.4030      -2.377710      2.976888  
1 1 1 1   3  14 o 38.69158  2.322656      1540.445       250.0733  1831.818       252.1066      -3.763557      4.645312  
1 1 1 1   3  15 o 8.083586  0.4889982     54.26048       10.79095  78.19297       11.14643      -1.494900      0.9779965 
1 1 1 1   3  16 o 7.327835  0.4957828     49.96208       9.996686  59.13508       10.25917      -0.6298022     0.9915655 
1 1 1 1   3  17 o 25.42984  1.544507      679.7765       109.3590  767.9720       110.3471      -1.722337      3.089014  
1 1 1 1   3  18 o 8.069859  0.5723530     59.79602       12.56382  74.31256       13.12509      -0.9001405     1.144706  
1 1 1 1   3  19 o 19.03020  1.044566      408.1573       61.99094  400.2037       51.12347      -0.2220383     2.089132  
1 1 1 1   3  20 f 6.238620  0.4804954     44.78041       8.664747  36.77939       7.994720      0.6260002      0.9609908 
1 1 1 1   3  21 o 3.697897  0.6493306     20.28484       6.939411  10.06095       7.148620      1.250183       1.298661  
1 1 1 1   3  22 o 4.823375  0.6155847     26.33374       7.998875  27.80785       8.178526      -0.1385330     1.231169  
1 1 1 1   3  23 o 4.506551  0.7061727     23.48269       8.694194  29.61747       8.873301      -0.6428482     1.412345  
1 1 1 1   3  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   3  25 o 2.281584  0.7124292     18.70566       9.860413  1.003424       10.16806      0.9096229      1.424858  
1 1 1 1   5  0  o 7.581185  0.2770579     60.98701       5.919123  54.18664       5.911220      0.4501681      0.5541159 
1 1 1 1   5  1  o 18.56774  0.5411644     403.4343       28.17440  291.1454       28.05443      3.033171       1.082329  
1 1 1 1   5  2  o 26.39679  0.9727598     664.8110       72.24567  740.0201       72.39192      -1.429375      1.945520  
1 1 1 1   5  3  o 49.41091  1.852591      2405.417       257.7226  2608.917       257.9758      -2.065181      3.705182  
1 1 1 1   5  4  o 27.89890  1.058404      785.9529       83.26695  789.2206       83.15867      -0.5916969E-01 2.116809  
1 1 1 1   5  5  o 46.98701  1.817254      2262.913       240.6988  2299.990       240.4723      -0.3972433     3.634508  
1 1 1 1   5  6  o 11.18411  0.4591416     129.4360       15.61061  122.9087       13.52475      0.2831061      0.9182831 
1 1 1 1   5  7  o 9.653991  0.3609464     84.67777       9.779155  102.3819       9.814989      -0.9209553     0.7218929 
1 1 1 1   5  8  o 20.13391  0.7482231     378.2022       42.33185  442.8033       42.44563      -1.610411      1.496446  
1 1 1 1   5  9  o 1.327618  0.3315947     1.936417       1.538993  1.038277       1.611003      0.1901987      0.6631894 
1 1 1 1   5  10 o 14.98103  0.5472055     206.3504       22.99251  247.1598       23.12265      -1.366907      1.094411  
1 1 1 1   5  11 o 3.634857  0.2523424     15.99372       2.490040  10.60116       2.555297      0.7568880      0.5046849 
1 1 1 1   5  12 o 18.89884  0.7676995     354.5566       44.02998  370.0238       38.28270      -0.4586000     1.535399  
1 1 1 1   5  13 o 10.97804  0.4617844     127.1945       15.37511  116.7817       13.35050      0.4621389      0.9235688 
1 1 1 1   5  14 o 7.721087  0.3329543     62.32211       7.203698  57.52642       7.262629      0.3124075      0.6659086 
1 1 1 1   5  15 o 17.14204  0.6664109     295.8806       32.17520  301.4447       32.19576      -0.1626174     1.332822  
1 1 1 1   5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   5  19 f 14.35918  0.6992058     204.0264       24.12685  241.5192       34.56470      -0.9774457     1.398412  
1 1 1 1   5  20 o 4.982666  0.7472941     24.03092       9.464984  32.44801       11.00536      -0.7585055     1.494588  
1 1 1 1   5  21 o 5.192450  0.7925782     28.11219       10.46726  36.97887       12.21930      -0.7061098     1.585156  
1 1 1 1   5  22 o 2.190439  0.7172896     -2.887584      9.551346  -3.602423      11.64967      -0.1650596     1.434579  
1 1 1 1   5  23 o 2.627215  0.8057068     -1.875466      10.69891  19.79459       13.60428      -1.202893      1.611414  
1 1 1 1   5  24 o 2.211768  0.7470790     -2.049739      11.31849  9.523830       15.24256      -0.4827123     1.494158  
1 1 1 1   7  0  o 17.66117  0.6133163     354.7850       30.43111  272.7765       30.34048      2.331528       1.226633  
1 1 1 1   7  1  o 28.31731  1.580442      847.3201       125.4462  796.9701       125.5740      0.8960124      3.160885  
1 1 1 1   7  2  o 13.84578  0.5197325     180.6906       20.23839  204.1805       20.28199      -0.8515069     1.039465  
1 1 1 1   7  3  o 36.48550  1.377501      1341.938       141.6287  1373.409       141.6321      -0.4325425     2.755001  
1 1 1 1   7  4  o 52.50806  2.058346      2791.477       304.4194  2972.277       304.3644      -1.728294      4.116693  
1 1 1 1   7  5  o 31.20437  1.204934      972.1290       105.9487  1013.882       105.9023      -0.6714821     2.409868  
1 1 1 1   7  6  o 20.33776  0.7817799     415.7750       44.81907  421.3467       44.78309      -0.1375895     1.563560  
1 1 1 1   7  7  o 14.15867  0.5837230     204.6319       25.12805  200.8963       21.77833      0.1112954      1.167446  
1 1 1 1   7  8  o 18.76912  0.7780542     366.2223       44.40326  353.3065       38.46921      0.2932493      1.556108  
1 1 1 1   7  9  o 18.48112  0.7647103     359.5743       42.96138  339.6899       37.21717      0.4844064      1.529421  
1 1 1 1   7  10 o 3.019457  0.2826211     10.61022       2.427959  7.938762       2.255571      0.4480125      0.5652423 
1 1 1 1   7  11 o 10.89892  0.4576331     122.6000       15.13148  117.6593       13.15666      0.2135569      0.9152662 
1 1 1 1   7  12 o 9.651619  0.4133935     101.1572       12.07353  87.35531       10.48152      0.7062408      0.8267870 
1 1 1 1   7  13 o 17.39475  0.6673473     310.9074       32.72777  302.0852       32.68773      0.2540929      1.334695  
1 1 1 1   7  14 o 20.19283  0.7891684     418.7957       44.90215  412.8247       44.89039      0.1482081      1.578337  
1 1 1 1   7  15 o 2.808178  0.4954690     8.848323       3.814821  7.542932       4.074267      0.2148173      0.9909381 
1 1 1 1   7  16 o 13.79461  0.5423781     204.1309       21.06200  182.1304       21.05632      0.8007786      1.084756  
1 1 1 1   7  17 o 21.48454  0.8683051     488.7317       52.55080  479.8079       52.53522      0.2080662      1.736610  
1 1 1 1   7  18 o 15.25277  0.6243037     256.1227       26.76886  225.6597       26.80485      1.004179       1.248607  
1 1 1 1   7  19 o 3.275099  0.6631457     13.17531       6.353053  9.834897       6.701216      0.4216623      1.326291  
1 1 1 1   7  20 o 3.211830  0.6957507     13.35370       6.793805  9.264316       7.269008      0.4827982      1.391501  
1 1 1 1   7  21 o 4.787558  0.6144682     27.32737       7.808869  24.67949       8.245515      0.3177717      1.228936  
1 1 1 1   7  22 o 5.226807  0.6373273     32.05768       8.829520  34.11943       9.351844      -0.1381449     1.274655  
1 1 1 1   7  23 o 2.185938  0.7001935     -15.29280      10.79976  14.03305       11.65266      -1.223442      1.400387  
1 1 1 1   7  24 o 2.011902  0.6675653     2.703813       9.352525  0.7799571      9.929222      0.5365831E-01  1.335131  
1 1 1 1   9  0  o 31.34899  1.264557      1064.862       104.1609  926.9493       120.1049      2.309985       2.529114  
1 1 1 1   9  1  o 22.34622  1.239814      519.3105       77.68888  501.9619       77.76151      0.3912133      2.479628  
1 1 1 1   9  2  o 16.04021  0.6042541     241.2371       27.25547  276.2658       27.30770      -1.096246      1.208508  
1 1 1 1   9  3  o 13.67619  0.5243648     187.9174       20.21542  188.5619       20.19983      -0.2369873E-01 1.048730  
1 1 1 1   9  4  o 33.32766  1.283820      1115.906       120.5101  1165.041       120.5719      -0.7390875     2.567640  
1 1 1 1   9  5  o 8.241801  0.3225102     67.33482       7.476523  69.17592       7.500129      -0.1119204     0.6450205 
1 1 1 1   9  6  o 13.33959  0.5174984     184.4074       19.45307  174.5415       19.43755      0.3709635      1.034997  
1 1 1 1   9  7  o 2.886994  0.2252747     10.56754       1.741903  6.268592       1.783916      0.7637864      0.4505494 
1 1 1 1   9  8  o 18.69328  0.7246711     360.8170       38.18750  350.7236       38.14380      0.2704316      1.449342  
1 1 1 1   9  9  o 15.81872  0.6141734     263.3387       27.38540  243.6085       27.33604      0.6255372      1.228347  
1 1 1 1   9  10 o 16.45659  0.6344165     283.1195       29.43247  265.3517       29.38285      0.5413437      1.268833  
1 1 1 1   9  11 o 9.600431  0.3874996     101.8882       10.45117  83.40820       10.44833      0.9676241      0.7749993 
1 1 1 1   9  12 o 11.58383  0.4599962     143.8736       14.98543  126.1971       15.00099      0.7665684      0.9199924 
1 1 1 1   9  13 f 20.95222  0.8143504     455.8292       48.09242  439.4361       48.04385      0.3920435      1.628701  
1 1 1 1   9  14 o 14.12034  0.5564812     209.5166       22.11781  194.0461       22.13542      0.5500467      1.112962  
1 1 1 1   9  15 o 10.86560  0.7542102     165.6344       26.76230  84.84994       18.95841      3.633748       1.508420  
1 1 1 1   9  16 o 5.283795  1.263732      ?              ?         30.22296       13.17443      ?              ?         
1 1 1 1   9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   9  18 f 14.77603  0.6080868     234.6620       25.26286  220.6433       25.32752      0.4779030      1.216174  
1 1 1 1   9  19 o 6.512196  0.4708539     48.75856       8.303185  39.21114       8.738835      0.7620425      0.9417078 
1 1 1 1   9  20 o 4.772596  0.6031582     25.68909       7.596955  25.02530       8.122822      0.1065032      1.206316  
1 1 1 1   9  21 f 1.844723  0.6026408     -10.44702      7.531296  1.560928       8.271938      -0.6793399     1.205282  
1 1 1 1   9  22 o 1.680351  0.5640612     -21.67142      8.290905  2.225827       9.088191      -0.9139487     1.128122  
1 1 1 1   9  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   9  24 o 3.082764  0.8162361     31.68319       10.57170  12.91612       11.63131      1.456504       1.632472  
1 1 1 1   11 0  o 9.053214  0.3224265     95.55235       8.181338  69.44804       8.146937      1.448319       0.6448531 
1 1 1 1   11 1  o 24.46356  1.204666      604.8401       75.57328  634.8810       92.65158      -0.4562621     2.409333  
1 1 1 1   11 2  o 14.04205  0.5029946     204.5628       19.91388  192.5432       19.89874      0.4291902      1.005989  
1 1 1 1   11 3  f 12.63074  0.4825390     155.9073       17.15566  165.5432       17.18340      -0.3825630     0.9650781 
1 1 1 1   11 4  o 11.36880  0.4363285     129.1477       13.97099  131.2923       13.98408      -0.9452306E-01 0.8726570 
1 1 1 1   11 5  o 11.84668  0.4504797     148.9725       15.02480  133.7211       15.02840      0.6462740      0.9009595 
1 1 1 1   11 6  o 24.02860  0.9210547     602.3494       62.37630  583.8247       62.33920      0.3862803      1.842109  
1 1 1 1   11 7  o 17.07726  0.6590058     311.2601       31.70896  280.4878       31.66222      0.9041703      1.318012  
1 1 1 1   11 8  o 14.09164  0.5428377     222.0218       21.52246  179.1331       21.44760      1.528849       1.085675  
1 1 1 1   11 9  f 20.43558  0.7877380     449.9396       45.37135  399.4580       45.25731      1.239323       1.575476  
1 1 1 1   11 10 o 18.81080  0.7220197     367.4211       38.28897  350.4713       38.23762      0.4516271      1.444039  
1 1 1 1   11 11 o 7.271194  0.3214293     59.42122       6.512790  46.76322       6.586944      0.8769681      0.6428587 
1 1 1 1   11 12 o 20.32236  0.7940633     444.7866       45.46799  395.8488       45.37531      1.208338       1.588127  
1 1 1 1   11 13 o 2.435348  0.5081704     5.485184       3.589253  6.704109       3.910138      -0.2208049     1.016341  
1 1 1 1   11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   11 15 o 8.079358  0.5701793     68.87923       12.94332  65.05083       12.76125      0.2364536      1.140359  
1 1 1 1   11 16 f 21.78218  0.8736402     531.8903       53.60207  467.7505       53.47327      1.476213       1.747280  
1 1 1 1   11 17 o 13.73983  0.5755464     207.0169       22.20004  183.2096       22.28472      0.8725501      1.151093  
1 1 1 1   11 18 o 5.665181  0.5032490     36.32100       7.566788  30.40127       8.191920      0.5594445      1.006498  
1 1 1 1   11 19 o 5.877935  0.5302452     40.93571       8.235118  32.21730       8.938743      0.7998558      1.060490  
1 1 1 1   11 20 o 2.635910  0.7201709     9.804390       7.544768  2.479568       8.335620      0.5852087      1.440342  
1 1 1 1   11 21 o 1.972648  0.6369690     -7.942519      7.861171  3.960792       9.013233      -0.7265015     1.273938  
1 1 1 1   11 22 o 2.223997  0.7359262     -1.529059      11.01183  2.184534       12.13012      -0.2063811     1.471852  
1 1 1 1   11 23 o 2.694398  0.7975001     17.36455       9.894320  10.72822       11.18681      0.4769611      1.595000  
1 1 1 1   13 0  o 14.05955  0.5129405     218.0709       20.30845  180.8247       20.25211      1.329994       1.025881  
1 1 1 1   13 1  o 22.17163  0.6936219     527.0026       43.36818  470.5232       43.33709      1.277114       1.387244  
1 1 1 1   13 2  o 3.915576  0.2774289     14.08702       2.963194  16.90351       3.084829      -0.3622273     0.5548578 
1 1 1 1   13 3  o 12.06491  0.4520213     150.5825       15.36687  142.9525       15.36600      0.3172050      0.9040427 
1 1 1 1   13 4  o 10.70902  0.4170362     120.5780       12.57232  110.4177       12.57922      0.4762643      0.8340724 
1 1 1 1   13 5  o 6.556743  0.2714104     47.11617       4.970475  39.15279       5.028851      0.6111871      0.5428209 
1 1 1 1   13 6  o 12.47756  0.4863657     162.5564       17.08175  151.5324       17.10129      0.4435008      0.9727315 
1 1 1 1   13 7  o 25.75617  0.9860932     705.2967       71.57732  656.6444       71.49881      0.9470444      1.972186  
1 1 1 1   13 8  o 11.31743  0.4499438     139.2648       14.31852  118.4935       14.32110      0.9221936      0.8998877 
1 1 1 1   13 9  o 6.990514  0.3055402     53.96260       5.937313  44.08285       6.051932      0.7121544      0.6110804 
1 1 1 1   13 10 o 10.91789  0.4371462     130.9148       13.40630  108.9219       13.42014      1.012521       0.8742924 
1 1 1 1   13 11 o 9.650209  0.4017940     100.1882       10.86636  87.13952       10.94188      0.6801202      0.8035879 
1 1 1 1   13 12 o 27.35539  1.082835      804.8985       83.48616  751.9243       83.34120      0.9698971      2.165670  
1 1 1 1   13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   13 14 o 9.313548  1.378834      92.60476       24.90878  ?              ?             ?              ?         
1 1 1 1   13 15 o 16.85108  0.6902313     313.9940       32.71955  272.9323       32.70240      1.224090       1.380463  
1 1 1 1   13 16 f 8.654013  0.4437358     84.73551       10.56739  67.86611       10.93128      0.9908004      0.8874716 
1 1 1 1   13 17 o 15.73350  0.6799188     287.0778       30.02990  239.6878       30.04541      1.515595       1.359838  
1 1 1 1   13 18 o 3.906969  0.6583623     24.42571       7.465621  8.449702       8.074430      1.815703       1.316725  
1 1 1 1   13 19 o 10.39624  0.5353053     130.9154       15.33862  103.2617       15.76762      1.368198       1.070611  
1 1 1 1   13 20 o 2.119792  0.6588203     -7.204248      7.863708  7.461184       9.075556      -0.9710146     1.317641  
1 1 1 1   13 21 o 2.678547  0.7456325     15.03159       8.593455  1.538292       9.763385      0.9724321      1.491265  
1 1 1 1   13 22 o 3.093626  0.8571594     24.47852       10.43124  10.99260       15.74399      1.056973       1.714319  
1 1 1 1   15 0  o 10.33817  0.3917159     125.7290       12.24217  90.85606       10.56070      1.681082       0.7834319 
1 1 1 1   15 1  o 10.17114  0.5694485     114.2958       11.71427  88.05577       23.44470      1.464897       1.138897  
1 1 1 1   15 2  o 13.96348  0.7346087     232.0692       28.64334  165.3517       28.45679      2.410845       1.469217  
1 1 1 1   15 3  o 18.06263  0.6793197     336.5308       34.57264  325.5056       34.58169      0.3061876      1.358639  
1 1 1 1   15 4  o 20.86674  0.8033106     456.4858       47.22328  430.3985       47.21357      0.6271484      1.606621  
1 1 1 1   15 5  o 20.99211  0.8086561     476.7383       47.81072  419.5837       47.74584      1.366626       1.617312  
1 1 1 1   15 6  o 20.51245  0.7796120     453.9146       45.04574  400.4908       44.98728      1.307187       1.559224  
1 1 1 1   15 7  o 4.176971  0.2672949     19.25457       2.974579  15.63156       3.268659      0.4445546      0.5345899 
1 1 1 1   15 8  o 11.54079  0.4660045     144.1243       15.09593  123.9715       15.15429      0.8778475      0.9320090 
1 1 1 1   15 9  o 17.81701  0.6974548     346.7756       34.98201  296.9642       34.92462      1.403960       1.394910  
1 1 1 1   15 10 o 9.534028  0.4053821     104.5457       10.76067  78.66225       10.86362      1.367265       0.8107642 
1 1 1 1   15 11 o 14.42004  0.5807173     228.2172       23.53068  193.2727       23.55472      1.218066       1.161435  
1 1 1 1   15 12 o 2.700931  0.5281410     10.89577       4.309835  2.755802       4.900548      1.134012       1.056282  
1 1 1 1   15 13 o 4.242811  0.8095251     24.23532       10.60870  14.35983       9.522479      1.027444       1.619050  
1 1 1 1   15 14 o 17.19564  0.7595176     331.8634       39.60746  288.8472       34.26435      1.141558       1.519035  
1 1 1 1   15 15 o 5.919930  0.4744196     37.38415       7.460948  34.75733       8.184224      0.2449369      0.9488391 
1 1 1 1   15 16 o 10.14304  0.4829877     114.0338       13.56648  98.51127       13.94756      0.7810475      0.9659754 
1 1 1 1   15 17 o 3.546279  0.7237821     11.26849       7.155596  17.67866       8.332787      -0.7389020     1.447564  
1 1 1 1   15 18 o 8.542065  0.5234938     93.85081       11.95665  63.49897       12.64600      1.844259       1.046988  
1 1 1 1   15 19 o 2.952324  0.7745240     11.76422       8.144135  8.748967       9.346675      0.2507235      1.549048  
1 1 1 1   15 20 o 2.939160  0.8000407     13.89812       8.879000  9.886333       10.32212      0.3369389      1.600081  
1 1 1 1   15 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   15 22 o 1.829178  0.6302930     -17.03615      10.66617  11.43418       12.68188      -0.8288279     1.260586  
1 1 1 1   17 0  o 9.692754  0.3610082     103.3793       9.855782  85.38868       9.820087      0.9320640      0.7220163 
1 1 1 1   17 1  o 27.01852  1.531062      793.6342       115.9936  750.8763       115.9789      0.7967127      3.062124  
1 1 1 1   17 2  o 13.00435  0.7118164     188.1360       25.94858  154.9061       25.86527      1.288469       1.423633  
1 1 1 1   17 3  o 2.577149  0.4451964     6.129498       2.996510  7.856157       3.467112      -0.3176352     0.8903927 
1 1 1 1   17 4  f 7.797593  0.3347608     67.42526       7.914803  55.48800       6.823864      0.7602608      0.6695215 
1 1 1 1   17 5  o 16.13776  0.6238098     269.1558       28.34797  257.7629       28.37266      0.3543156      1.247620  
1 1 1 1   17 6  o 8.279900  0.3475258     72.13766       8.043316  65.63837       8.151449      0.3950615      0.6950517 
1 1 1 1   17 7  o 5.048352  0.2871683     27.39509       3.936795  23.72251       4.194032      0.3704521      0.5743366 
1 1 1 1   17 8  f 13.68866  0.5284986     200.5506       20.31831  177.9301       20.41076      0.8305218      1.056997  
1 1 1 1   17 9  o 4.061251  0.3862747     19.80983       3.967038  13.12168       4.622847      0.8692370      0.7725493 
1 1 1 1   17 10 o 6.445696  0.3599284     45.19776       6.241701  38.25288       6.778041      0.5512024      0.7198569 
1 1 1 1   17 11 o 15.86350  0.6872497     274.8418       33.04222  244.6001       28.66372      0.8925575      1.374499  
1 1 1 1   17 12 o 4.715226  0.4678912     20.15991       5.612361  26.02314       6.545841      -0.6097040     0.9357823 
1 1 1 1   17 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   17 14 o 7.606988  0.4535557     64.70108       9.247808  53.40756       10.07257      0.7716448      0.9071115 
1 1 1 1   17 15 o 6.929489  0.4773830     52.39865       8.751937  47.06866       9.784758      0.4249138      0.9547660 
1 1 1 1   17 16 o 5.599993  0.5779350     40.79151       8.282114  25.89140       9.296545      1.437347       1.155870  
1 1 1 1   17 17 o 3.597735  0.7601194     17.69688       7.945729  12.77618       9.213376      0.5612166      1.520239  
1 1 1 1   17 18 o 11.00727  0.5927374     146.3815       17.97462  131.9759       18.62738      0.7204391      1.185475  
1 1 1 1   17 19 o 3.514045  0.7047704     32.00221       9.518007  -4.058692      11.06973      2.830095       1.409541  
1 1 1 1   17 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   17 21 o 2.758735  0.8199202     27.50951       11.46247  7.964086       13.54525      1.133414       1.639840  
1 1 1 1   19 0  o 15.75878  0.5786641     279.9463       25.67546  222.2036       25.53821      1.839628       1.157328  
1 1 1 1   19 1  o 28.00803  1.580165      897.3188       124.0318  778.8900       123.8203      2.129220       3.160329  
1 1 1 1   19 2  o 2.226102  0.4313565     -2.112617      3.345192  10.52609       3.874171      -1.886596      0.8627130 
1 1 1 1   19 3  o 22.65889  1.210698      600.6008       76.91502  470.8717       76.43070      2.882753       2.421397  
1 1 1 1   19 4  o 13.34552  0.6320298     197.7074       21.39984  160.1988       26.23978      1.468363       1.264060  
1 1 1 1   19 5  o 16.45437  0.6273059     294.0060       29.06916  255.0792       29.02492      1.187626       1.254612  
1 1 1 1   19 6  o 12.50117  0.5015396     162.2823       17.60464  153.8468       17.70900      0.3395329      1.003079  
1 1 1 1   19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   19 8  o 17.11641  0.6707321     316.5599       32.31833  282.1508       32.30993      1.009341       1.341464  
1 1 1 1   19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   19 10 o 5.451227  0.4319188     36.63880       6.050962  23.40401       6.774456      1.263577       0.8638376 
1 1 1 1   19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   19 12 o 8.669737  0.4465943     81.21301       10.54400  72.15327       11.21478      0.5404356      0.8931885 
1 1 1 1   19 13 o 5.833886  0.5245429     41.76120       7.958134  28.52133       8.768575      1.201765       1.049086  
1 1 1 1   19 14 o 6.473356  0.5193635     43.46559       8.841724  45.54348       9.934751      -0.1164347     1.038727  
1 1 1 1   19 15 o 2.252078  0.6677011     7.493249       7.478069  -10.26341      9.168284      0.9125511      1.335402  
1 1 1 1   19 16 o 2.815791  0.7734218     5.339126       8.047446  11.80516       9.958544      -0.6375674     1.546844  
1 1 1 1   19 17 o 2.995104  0.8172585     10.39108       8.902541  12.54516       10.89796      -0.1976576     1.634517  
1 1 1 1   19 18 o 6.662072  0.6990716     60.62703       11.96648  54.94114       13.72987      0.7418801      1.398143  
1 1 1 1   19 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   19 20 o 2.496956  0.8072733     5.921135       12.03003  29.05192       14.72828      -0.8482834     1.614547  
1 1 1 1   21 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   21 2  o 6.697816  0.9579571     ?              ?         46.57035       12.46741      ?              ?         
1 1 1 1   21 3  o 3.929973  0.5563295     15.29724       5.700897  17.17322       6.259727      -0.2276040     1.112659  
1 1 1 1   21 4  o 14.19356  0.7860686     222.1372       31.36626  193.5367       31.14830      1.012326       1.572137  
1 1 1 1   21 5  o 14.07514  0.5230929     223.1306       19.19386  177.4162       22.12306      1.668263       1.046186  
1 1 1 1   21 6  o 5.971798  0.6754789     39.52221       9.509335  32.68694       14.04351      0.6995105      1.350958  
1 1 1 1   21 7  o 18.58349  0.7230366     378.3052       37.83979  335.6421       37.79728      1.152055       1.446073  
1 1 1 1   21 8  f 8.046815  0.4032150     64.93130       8.946107  66.76034       9.298104      -0.1090437     0.8064299 
1 1 1 1   21 9  f 5.095243  0.8927805     29.23759       11.39476  27.53242       15.32020      0.2154845      1.785561  
1 1 1 1   21 10 o 9.781923  0.4709424     114.5202       12.61369  81.87862       13.02204      1.692438       0.9418848 
1 1 1 1   21 11 o 6.179452  0.5011692     46.33584       8.054676  32.29269       8.949930      1.199138       1.002338  
1 1 1 1   21 12 o 6.100344  0.5603903     49.65481       8.524343  28.56965       9.759961      1.845913       1.120781  
1 1 1 1   21 13 o 4.584138  0.6907187     24.40524       8.049602  23.22473       9.609842      0.2209484      1.381437  
1 1 1 1   21 14 o 3.756178  0.7853722     19.95432       8.472580  13.26367       10.24501      0.7328491      1.570744  
1 1 1 1   21 15 o 3.268042  0.8332834     10.99238       8.974673  17.35499       10.98681      -0.5592945     1.666567  
1 1 1 1   21 16 o 3.683575  0.8817741     15.26029       10.26272  27.23831       12.07034      -0.9457924     1.763548  
1 1 1 1   21 17 o 3.215761  1.080725      20.52207       20.30926  55.84291       38.06454      -0.3365752     2.161450  
1 1 1 1   21 18 o 2.438772  0.7986314     3.435519       12.32034  16.12466       14.13323      -0.5014108     1.597263  
1 1 1 1   21 19 o 2.092374  0.7151827     18.70621       13.28990  -12.95117      15.43624      0.7367211      1.430365  
1 1 1 1   23 0  f 6.035639  0.2759502     43.20459       4.735969  30.48375       4.561024      1.059139       0.5519004 
1 1 1 1   23 1  o 13.53169  0.7567794     213.1392       28.74261  167.7740       28.46786      1.687345       1.513559  
1 1 1 1   23 2  o 13.14842  0.7530572     190.2069       27.76675  170.1653       27.70350      0.7670763      1.506114  
1 1 1 1   23 3  o 4.832539  0.7221826     18.68881       7.709555  33.79469       12.01997      -1.424908      1.444365  
1 1 1 1   23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   23 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   23 6  o 9.140942  0.3799945     102.5320       9.688040  68.17225       9.606972      1.890359       0.7599890 
1 1 1 1   23 7  o 11.81597  0.5102252     161.9581       16.97651  125.9355       16.80905      1.530207       1.020450  
1 1 1 1   23 8  o 9.596844  0.4695407     107.1726       12.47807  82.57380       12.71650      1.298849       0.9390813 
1 1 1 1   23 9  o 5.005797  0.5144349     30.23300       6.669765  21.76098       7.442902      0.9106442      1.028870  
1 1 1 1   23 10 o 2.999169  0.7043847     6.687259       6.355944  13.32848       7.930211      -0.8128057     1.408769  
1 1 1 1   23 11 o 7.152994  0.5239066     57.43393       9.943027  51.77456       10.99659      0.4574181      1.047813  
1 1 1 1   23 12 o 5.980814  0.6296827     31.87478       9.408862  49.66096       11.11452      -1.389009      1.259365  
1 1 1 1   23 13 o 3.209622  0.8396773     10.97882       9.335056  15.50724       11.02333      -0.3967471     1.679355  
1 1 1 1   23 14 o 2.188039  0.7174181     -0.2754295     9.490055  -5.124502      12.05566      -0.1010425E-01 1.434836  
1 1 1 1   23 15 o 4.403697  0.8485845     41.12385       11.38850  18.81260       13.78463      2.185691       1.697169  
1 1 1 1   23 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   25 0  o 6.347405  0.3242700     43.78269       5.564872  37.75613       6.003596      0.4879894      0.6485400 
1 1 1 1   25 1  o 7.468330  0.5172863     63.72346       10.79427  52.03559       10.70465      0.7907372      1.034573  
1 1 1 1   25 2  o 7.539423  0.5738963     73.37566       11.81328  45.82768       11.77929      1.866285       1.147793  
1 1 1 1   25 3  o 7.275767  0.6071874     60.61261       12.16961  51.26321       12.26880      0.6586792      1.214375  
1 1 1 1   25 4  o 5.983833  0.7179978     48.23423       11.45072  28.93394       11.90727      1.682770       1.435996  
1 1 1 1   25 5  o 2.574055  0.7883476     5.090391       10.70331  -5.326145      11.09522      0.5464954      1.576695  
1 1 1 1   25 6  o 8.570718  0.6589112     87.60249       13.54968  68.59502       18.24368      1.386786       1.317822  
1 1 1 1   25 7  o 8.430395  0.4152071     86.17597       9.801123  61.70548       9.702267      1.460464       0.8304143 
1 1 1 1   25 8  o 7.320052  0.4507485     62.39103       9.137740  50.24073       9.270417      0.8461975      0.9014970 
1 1 1 1   25 9  o 4.913110  0.5814502     33.35864       7.183541  19.14999       8.480057      1.578594       1.162900  
1 1 1 1   25 10 o 8.137341  0.5333388     76.90543       11.75862  69.01710       12.51164      0.5461656      1.066678  
1 1 1 1   25 11 o 3.109892  0.7811407     17.06823       8.711734  5.957564       9.867263      0.9728063      1.562281  
1 1 1 1   25 12 o 2.202486  0.7125421     0.2555822      8.920522  -0.8160979     11.21081      -0.1297926     1.425084  
1 1 1 1   25 13 o 2.979267  0.7868027     26.03144       10.81209  -6.773296      12.82971      1.920570       1.573605  
1 1 1 1   25 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   27 0  o 3.094189  0.4723030     12.23127       4.641737  9.106013       3.532436      0.4401730      0.9446059 
1 1 1 1   27 1  o 5.520149  0.5640606     38.03308       8.331363  27.67489       8.658094      0.9895422      1.128121  
1 1 1 1   27 2  o 7.799317  0.6490309     77.92565       13.97993  56.84976       13.83635      1.373059       1.298062  
1 1 1 1   27 3  o 4.256306  0.8089728     9.846526       10.20035  34.41084       11.51154      -2.288680      1.617946  
1 1 1 1   27 4  o 2.731177  0.8307822     5.971297       10.73969  0.1831994      12.85890      0.1621874      1.661564  
1 1 1 1   27 5  o 3.309158  0.9248585     17.60695       12.78152  5.659243       13.83106      0.7395568      1.849717  
1 1 1 1   27 6  o 6.794820  0.9722334     77.77667       18.51674  45.95226       17.99432      2.270029       1.944467  
1 1 1 1   27 7  o 3.037819  0.9517609     14.06114       16.18550  -0.4767723     17.11666      0.5736111      1.903522  
1 1 1 1   27 8  f 3.004680  0.9667099     4.253513       17.56782  11.04167       18.54023      -0.2762792     1.933420  
1 1 1 1   27 9  o 3.035679  0.9647424     29.47365       19.24094  -10.62384      20.08095      1.307325       1.929485  
1 1 1 1   27 10 o 2.821966  0.9395109     25.38586       20.75684  -7.764056      20.12019      0.9017441      1.879022  
1 1 1 1   27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   27 12 o 2.189319  0.7842328     -20.60374      23.64100  -15.83938      25.10575      -0.8368843E-01 1.568466  
1 1 1 1   29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 6  o 3.227392  0.9473094     43.83628       17.99154  -12.23978      19.66287      2.108328       1.894619  
1 1 1 1   29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   29 9  o 2.193653  0.6871964     7.224579       8.616933  4.105279       8.336724      0.1953591      1.374393  
1 1 1 1   31 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 1   31 1  f 2.387531  0.7311635     6.475324       8.402105  10.33577       9.893677      -0.2551145     1.462327  
1 1 1 2   0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   0  5  o 8.342969  0.9702977     72.49742       15.61972  72.49742       15.61972      ?              ?         
1 1 1 2   0  6  o 28.24505  2.263971      821.7662       125.9434  821.7662       125.9434      ?              ?         
1 1 1 2   0  7  o 2.869886  0.3301826     8.560369       1.830127  8.560369       1.830127      ?              ?         
1 1 1 2   0  8  o 31.93506  1.759650      1040.388       111.6035  1040.388       111.6035      ?              ?         
1 1 1 2   0  9  o 39.26705  2.194031      1595.321       171.0669  1595.321       171.0669      ?              ?         
1 1 1 2   0  10 o 15.62878  0.8351370     247.5128       25.93299  247.5128       25.93299      ?              ?         
1 1 1 2   0  11 o 26.76689  1.467959      734.1996       78.04138  734.1996       78.04138      ?              ?         
1 1 1 2   0  12 o 7.060817  0.4198490     50.43938       5.880496  50.43938       5.880496      ?              ?         
1 1 1 2   0  13 o 12.62531  0.6911762     161.2628       17.33225  161.2628       17.33225      ?              ?         
1 1 1 2   0  14 o 32.61524  1.803022      1092.912       116.7844  1092.912       116.7844      ?              ?         
1 1 1 2   0  15 o 19.98688  1.096450      406.2748       43.52563  406.2748       43.52563      ?              ?         
1 1 1 2   0  16 o 6.166586  0.4757918     38.77525       5.785549  38.77525       5.785549      ?              ?         
1 1 1 2   0  17 o 4.734000  0.5643629     23.42695       5.143182  23.42695       5.143182      ?              ?         
1 1 1 2   0  18 o 20.60442  1.149758      437.4789       47.04033  437.4789       47.04033      ?              ?         
1 1 1 2   0  19 o 12.03023  0.7223371     148.0578       17.23485  148.0578       17.23485      ?              ?         
1 1 1 2   0  20 o 1.584547  0.9809261     2.085235       6.162937  2.085235       6.162937      ?              ?         
1 1 1 2   0  21 o 3.985842  1.020365      19.40199       7.030553  19.40199       7.030553      ?              ?         
1 1 1 2   0  22 o 1.364364  0.9150568     -1.681861      7.002548  -1.681861      7.002548      ?              ?         
1 1 1 2   0  23 o 7.141943  0.7336653     56.22647       10.20457  56.22647       10.20457      ?              ?         
1 1 1 2   0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   0  25 o 1.245048  0.8850361     -6.271492      9.462932  -6.271492      9.462932      ?              ?         
1 1 1 2   2  0  o 29.76522  1.038612      876.8634       87.15723  910.9699       87.15855      -0.5744379     2.077224  
1 1 1 2   2  1  o 49.88002  1.911553      2421.579       250.5956  2704.719       289.7909      -2.653138      3.823106  
1 1 1 2   2  2  o 11.16394  0.4136387     118.8082       12.99831  131.1444       13.01493      -0.5544590     0.8272774 
1 1 1 2   2  3  o 23.73758  1.297198      558.7954       86.39579  586.4127       86.40042      -0.5854915     2.594395  
1 1 1 2   2  4  o 49.06259  3.337028      2499.964       558.0433  2667.161       395.0341      -3.325319      6.674057  
1 1 1 2   2  5  o 30.56018  1.996152      887.8486       207.5723  1016.025       146.8801      -2.602994      3.992305  
1 1 1 2   2  6  o 28.09333  1.548756      738.9263       121.8278  878.3505       121.8047      -2.503712      3.097512  
1 1 1 2   2  7  o 42.94868  2.503130      1843.391       300.9107  2117.380       300.8051      -3.220440      5.006261  
1 1 1 2   2  8  o 15.61267  0.8562139     232.6517       37.45429  262.1949       37.48640      -0.9532363     1.712428  
1 1 1 2   2  9  o 3.047566  0.2953661     9.050924       2.494560  9.865393       2.459945      -0.1374377     0.5907322 
1 1 1 2   2  10 o 9.852185  0.5508549     100.8232       15.22685  96.07601       15.21668      0.2424642      1.101710  
1 1 1 2   2  11 o 21.09454  1.195377      445.9796       70.61135  485.5042       70.73896      -0.9421110     2.390755  
1 1 1 2   2  12 o 31.65568  1.858454      1020.407       164.3691  1169.272       164.8616      -2.364036      3.716908  
1 1 1 2   2  13 o 22.82643  1.289146      517.6194       82.35867  568.8042       82.58292      -1.127040      2.578292  
1 1 1 2   2  14 o 9.608765  0.5504186     75.05034       14.53292  112.1996       14.75922      -1.954030      1.100837  
1 1 1 2   2  15 o 11.51425  0.5275505     133.7355       20.85363  134.3411       14.82423      -0.7708470E-01 1.055101  
1 1 1 2   2  16 o 25.33391  0.9994307     653.5096       71.28134  679.4766       71.35818      -0.5131562     1.998861  
1 1 1 2   2  17 o 18.01221  0.7099476     320.9090       35.98288  345.0229       36.03753      -0.6711302     1.419895  
1 1 1 2   2  18 o 13.77162  0.5494583     190.3594       21.28511  197.6363       21.34058      -0.2642640     1.098917  
1 1 1 2   2  19 o 5.843123  0.4272930     31.16194       6.893236  38.73056       6.971463      -0.6558598     0.8545859 
1 1 1 2   2  20 o 2.158461  0.6143374     -2.428816      6.190029  6.198622       6.183036      -0.7663944     1.228675  
1 1 1 2   2  21 o 5.225644  0.5220951     33.56828       7.456241  24.82739       7.440640      0.8602633      1.044190  
1 1 1 2   2  22 o 3.981506  0.6547246     11.65050       7.378709  25.81988       7.676271      -1.633751      1.309449  
1 1 1 2   2  23 o 4.647594  0.6611214     33.82359       8.466163  20.23086       8.534858      1.469329       1.322243  
1 1 1 2   2  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   2  25 o 2.116291  0.6808636     -0.8135228     9.516364  14.16199       9.607781      -0.7129325     1.361727  
1 1 1 2   4  0  o 17.04476  0.7500755     296.9449       44.05494  290.5260       31.16443      0.1411050      1.500151  
1 1 1 2   4  1  o 35.40211  1.301004      1380.216       129.6482  1157.060       129.4526      3.164819       2.602008  
1 1 1 2   4  2  o 18.44258  0.6835005     341.4515       35.52092  342.7486       35.53757      -0.3521227E-01 1.367001  
1 1 1 2   4  3  o 7.742425  0.2949235     60.83936       6.437456  59.46010       6.431202      0.8931293E-01  0.5898469 
1 1 1 2   4  4  o 36.50443  1.308137      1295.941       134.4154  1408.116       134.6942      -1.540291      2.616273  
1 1 1 2   4  5  o 42.07552  1.573179      1737.376       186.3200  1885.165       186.5945      -1.760903      3.146358  
1 1 1 2   4  6  o 29.32554  1.100096      805.3286       90.69968  938.3420       90.85571      -2.276941      2.200191  
1 1 1 2   4  7  o 7.150668  0.2692939     47.96875       5.411190  54.55253       5.430503      -0.4621341     0.5385878 
1 1 1 2   4  8  o 13.99778  0.5375120     192.2108       21.18827  202.6674       21.20367      -0.3746709     1.075024  
1 1 1 2   4  9  o 3.002369  0.2186660     10.73027       1.785218  7.384342       1.831820      0.5694131      0.4373320 
1 1 1 2   4  10 o 17.29654  0.6596511     290.8775       32.11483  316.1711       32.15463      -0.7335124     1.319302  
1 1 1 2   4  11 o 7.618927  0.3045578     55.11462       6.503766  61.53830       6.557703      -0.4229512     0.6091157 
1 1 1 2   4  12 o 25.24269  0.9848589     645.6830       70.02039  663.0171       70.05682      -0.3440873     1.969718  
1 1 1 2   4  13 f 16.86362  0.6371698     285.0905       30.26125  290.4348       30.29885      -0.1586726     1.274340  
1 1 1 2   4  14 o 10.01265  0.4290484     100.5712       11.28202  101.7123       13.10989      -0.4483686E-01 0.8580968 
1 1 1 2   4  15 o 15.57168  0.8765762     241.2982       38.18050  257.1635       38.36676      -0.5108435     1.753152  
1 1 1 2   4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   4  17 o 16.83711  2.159504      ?              ?         320.4979       71.04742      ?              ?         
1 1 1 2   4  18 o 17.72208  1.057324      309.8284       52.08498  370.0223       52.64535      -1.699201      2.114648  
1 1 1 2   4  19 o 9.276565  0.6153787     70.48605       15.22416  110.3112       16.24262      -2.149344      1.230757  
1 1 1 2   4  20 o 2.914803  0.7774374     5.029657       8.226001  10.75689       9.538402      -0.6028482     1.554875  
1 1 1 2   4  21 o 2.249704  0.6951568     5.979692       8.548730  -11.87736      10.17023      0.7756721      1.390314  
1 1 1 2   4  22 o 1.886836  0.6416945     -13.96421      9.197643  -5.028812      11.35880      -0.5390766     1.283389  
1 1 1 2   4  23 o 4.461756  0.9025381     22.30257       10.99895  42.29625       13.56119      -1.479949      1.805076  
1 1 1 2   4  24 o 3.107314  1.371853      25.64725       16.70107  ?              ?             ?              ?         
1 1 1 2   4  25 o 1.589474  0.5598486     -4.979369      9.842889  -14.07181      10.25856      0.1754149      1.119697  
1 1 1 2   6  0  o 26.84408  0.9606947     774.3268       72.68406  678.2991       72.55604      1.794980       1.921389  
1 1 1 2   6  1  o 51.46041  1.940952      2973.329       281.0482  2475.499       280.5871      4.857015       3.881904  
1 1 1 2   6  2  o 36.50523  1.323660      1395.263       136.2706  1310.724       136.0703      1.160629       2.647320  
1 1 1 2   6  3  o 32.17939  1.177466      1044.494       106.8171  1055.299       106.7905      -0.1684606     2.354932  
1 1 1 2   6  4  o 51.37623  1.880729      2715.176       272.2151  2746.310       272.5091      -0.3019080     3.761458  
1 1 1 2   6  5  o 61.16535  2.351715      3743.737       404.2762  4183.009       405.6010      -3.593308      4.703430  
1 1 1 2   6  6  o 33.23934  1.263496      1094.338       118.3305  1165.254       118.2920      -1.070625      2.526991  
1 1 1 2   6  7  o 21.38299  0.7992977     451.8629       48.15664  474.5577       48.16273      -0.5322995     1.598595  
1 1 1 2   6  8  o 8.779770  0.3432598     77.03791       8.484221  78.01775       8.497463      -0.5589543E-01 0.6865197 
1 1 1 2   6  9  o 4.596076  0.2201912     20.91533       2.806782  21.59420       2.885298      -0.7343013E-01 0.4403824 
1 1 1 2   6  10 o 11.59260  0.4465730     135.2183       14.57861  135.9311       14.59590      -0.3071879E-01 0.8931461 
1 1 1 2   6  11 o 25.12897  0.9662856     626.4763       68.35849  670.5517       68.42956      -0.8793443     1.932571  
1 1 1 2   6  12 o 2.260114  0.3910862     5.686482       2.438632  4.916559       2.535153      0.1599845      0.7821724 
1 1 1 2   6  13 o 30.89848  1.163904      948.4548       101.2165  1022.926       101.3913      -1.207507      2.327808  
1 1 1 2   6  14 o 31.61984  1.233104      1021.788       109.8007  1060.935       109.8782      -0.6201079     2.466207  
1 1 1 2   6  15 o 6.619496  0.3267189     41.95641       5.981381  46.39039       6.169317      -0.3350208     0.6534378 
1 1 1 2   6  16 o 7.703951  0.3650764     55.71793       7.842246  64.01855       7.954453      -0.5408185     0.7301528 
1 1 1 2   6  17 o 9.315356  0.4158323     92.93331       10.83544  82.66280       10.94438      0.5556466      0.8316647 
1 1 1 2   6  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   6  19 o 14.56629  0.6062151     228.4279       24.83189  216.1655       24.88465      0.4240851      1.212430  
1 1 1 2   6  20 o 10.66880  0.4886611     125.5664       14.59134  112.7551       14.71495      0.6082641      0.9773222 
1 1 1 2   6  21 o 7.880269  0.4697183     72.46687       10.25492  59.79208       10.42601      0.8225318      0.9394366 
1 1 1 2   6  22 o 3.006030  0.7361825     12.72691       7.435485  9.723432       7.996585      0.3195591      1.472365  
1 1 1 2   6  23 o 1.791776  0.6010829     -9.266080      8.077992  0.1004082      8.722323      -0.4499345     1.202166  
1 1 1 2   6  24 o 3.313260  0.8829216     22.41338       9.578874  26.97600       15.54586      0.3556278      1.765843  
1 1 1 2   8  0  o 37.33567  1.258449      1485.479       132.4940  1346.616       132.3491      1.864751       2.516898  
1 1 1 2   8  1  o 34.45608  1.704154      1249.933       150.6171  1187.307       184.3858      1.147651       3.408308  
1 1 1 2   8  2  o 15.37327  0.5990013     257.4476       27.93814  220.3172       24.14989      1.194947       1.198003  
1 1 1 2   8  3  o 27.93730  1.033970      784.4423       81.39893  798.5182       81.43288      -0.2524658     2.067941  
1 1 1 2   8  4  o 15.92675  0.6448436     242.6555       26.98218  271.0381       31.19755      -0.8730985     1.289687  
1 1 1 2   8  5  o 27.18545  1.021122      710.5167       78.09247  792.2766       78.24435      -1.508606      2.042243  
1 1 1 2   8  6  o 27.08598  1.015181      759.2029       77.58329  740.1234       77.39906      0.3518159      2.030362  
1 1 1 2   8  7  o 8.653084  0.3352980     74.16556       8.158404  76.42005       8.190128      -0.1304883     0.6705959 
1 1 1 2   8  8  o 16.67893  0.6378362     275.2495       29.96179  288.9106       29.98164      -0.4107037     1.275672  
1 1 1 2   8  9  o 10.74787  0.4139545     114.2359       12.51800  118.6009       12.55183      -0.2034722     0.8279090 
1 1 1 2   8  10 o 24.09019  0.9331195     585.9385       63.32069  605.4586       63.34089      -0.4062354     1.866239  
1 1 1 2   8  11 o 15.62718  0.6067142     243.5209       26.69800  250.5941       26.72591      -0.2268343     1.213428  
1 1 1 2   8  12 o 20.55398  0.7960947     431.2863       46.10151  428.1128       46.10706      0.7748044E-01  1.592189  
1 1 1 2   8  13 o 21.71632  0.8397593     493.2895       51.38753  468.2762       51.35597      0.5775836      1.679519  
1 1 1 2   8  14 o 10.67162  0.4360535     118.2205       13.06938  111.4062       13.13442      0.3209864      0.8721069 
1 1 1 2   8  15 o 6.968182  1.127819      50.88921       15.18095  ?              ?             ?              ?         
1 1 1 2   8  16 o 5.645537  0.3775850     32.98977       5.849099  31.69554       6.069848      0.1191961      0.7551700 
1 1 1 2   8  17 o 17.02257  0.6847740     298.3347       32.78704  301.3247       32.88017      -0.8643424E-01 1.369548  
1 1 1 2   8  18 o 9.414898  0.4481773     101.2234       11.73294  79.80682       11.89597      1.149588       0.8963547 
1 1 1 2   8  19 o 2.042893  0.6147792     2.741035       6.107125  -2.340899      6.625884      0.3229643      1.229558  
1 1 1 2   8  20 o 17.85309  0.7850971     374.5420       39.41172  352.9329       39.45358      0.6106281      1.570194  
1 1 1 2   8  21 o 3.078164  0.7039056     5.136887       7.192158  17.08722       7.798608      -1.296746      1.407811  
1 1 1 2   8  22 o 1.785239  0.5958117     -8.385385      7.610511  -1.410644      8.367466      -0.3956956     1.191623  
1 1 1 2   8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   8  24 o 1.998342  0.6653686     4.332556       9.361912  0.2097952      10.18487      0.1336196      1.330737  
1 1 1 2   10 0  o 2.590245  0.1199601     7.118314       0.8799419 6.347632       0.8664632     0.1493767      0.2399202 
1 1 1 2   10 1  o 15.18548  0.5522043     258.5616       23.57211  205.5949       23.52632      1.751826       1.104409  
1 1 1 2   10 2  o 18.58181  0.7285430     389.6065       40.99372  311.5689       35.41976      2.075255       1.457086  
1 1 1 2   10 3  o 9.840667  0.4079124     94.71265       10.57024  100.8147       12.19732      -0.3018211     0.8158249 
1 1 1 2   10 4  o 32.65148  1.249571      1046.360       114.7988  1154.621       114.9740      -1.662600      2.499141  
1 1 1 2   10 5  o 12.20889  0.4718664     152.8050       16.22980  147.6718       16.23164      0.2109059      0.9437327 
1 1 1 2   10 6  o 10.02385  0.3926345     103.3366       11.07712  98.99534       11.09593      0.2173994      0.7852689 
1 1 1 2   10 7  o 9.875997  0.3862469     101.7762       10.73070  94.56291       10.75454      0.3667218      0.7724938 
1 1 1 2   10 8  o 17.33572  0.6725057     301.4270       32.83478  309.2821       32.85797      -0.2270727     1.345011  
1 1 1 2   10 9  o 21.71088  0.8422335     477.0086       51.51368  486.2972       51.52524      -0.2144735     1.684467  
1 1 1 2   10 10 o 11.85091  0.4680185     146.6201       15.60959  136.3738       15.62798      0.4340430      0.9360371 
1 1 1 2   10 11 o 8.592512  0.3525164     76.55070       8.491442  71.88848       8.564472      0.2728395      0.7050328 
1 1 1 2   10 12 o 13.24111  0.5157862     185.1638       19.22427  168.3575       19.23475      0.6372117      1.031572  
1 1 1 2   10 13 o 12.18405  0.4889238     161.1336       16.74229  138.2025       16.76431      0.9458301      0.9778476 
1 1 1 2   10 14 o 21.42071  0.8432250     498.0048       50.89205  444.3562       50.78525      1.256323       1.686450  
1 1 1 2   10 15 o 21.49471  0.8477672     493.8618       51.33768  462.5505       51.29742      0.7304138      1.695534  
1 1 1 2   10 16 o 9.692143  0.4305626     95.27988       11.63172  95.44260       11.85870      -0.5572726E-02 0.8611251 
1 1 1 2   10 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   10 18 o 4.997559  0.5099211     28.44763       6.682693  23.35174       7.326303      0.5499772      1.019842  
1 1 1 2   10 19 o 5.253350  0.5339645     31.93142       7.451730  26.55322       7.943642      0.5514646      1.067929  
1 1 1 2   10 20 o 2.897573  0.6684556     0.3231902      6.914862  17.10778       7.685910      -1.745448      1.336911  
1 1 1 2   10 21 o 2.053485  0.6514768     -1.300671      7.444018  0.5969244      8.303164      -0.2058176     1.302954  
1 1 1 2   10 22 o 3.057076  0.7823998     12.58814       8.285195  15.11228       9.153737      -0.2039561     1.564800  
1 1 1 2   10 23 o 2.499169  0.7313173     -0.8619049     9.142704  20.80483       10.34815      -1.348657      1.462635  
1 1 1 2   12 0  o 10.57268  0.3956907     126.9938       11.74826  98.03487       11.71689      1.376156       0.7913814 
1 1 1 2   12 1  o 21.43412  0.7974625     500.8421       48.10731  433.3326       48.10727      1.581483       1.594925  
1 1 1 2   12 2  o 9.527205  0.3314459     107.6229       8.835819  75.52927       8.792482      1.691731       0.6628918 
1 1 1 2   12 3  o 4.515841  0.2158782     21.04898       2.985543  20.10243       2.547228      0.1008655      0.4317564 
1 1 1 2   12 4  o 9.684187  0.3769143     93.45555       10.27667  95.42168       10.29096      -0.1017345     0.7538285 
1 1 1 2   12 5  o 15.40587  0.5979275     241.8741       25.96621  239.1623       25.94194      0.8808964E-01  1.195855  
1 1 1 2   12 6  f 19.27700  0.7423225     377.6030       40.31395  379.7741       40.32839      -0.5635143E-01 1.484645  
1 1 1 2   12 7  o 6.783634  0.2753205     46.63100       5.211205  45.88039       5.310682      0.5621358E-01  0.5506409 
1 1 1 2   12 8  o 21.28718  0.8271261     462.1943       49.59127  462.3074       49.62711      -0.2352277E-02 1.654252  
1 1 1 2   12 9  o 7.679101  0.3274493     65.85363       7.025391  52.58412       7.081484      0.8698364      0.6548986 
1 1 1 2   12 10 o 7.088581  0.3216115     58.53999       6.309169  42.54369       6.411959      1.137899       0.6432230 
1 1 1 2   12 11 o 28.47753  1.106101      847.7324       88.77811  826.8788       88.71175      0.3665980      2.212203  
1 1 1 2   12 12 o 17.98934  0.7002456     336.2790       35.47921  321.7270       35.49219      0.4059239      1.400491  
1 1 1 2   12 13 o 10.85152  0.4461758     123.7931       13.61407  113.9213       13.64173      0.4570055      0.8923517 
1 1 1 2   12 14 o 17.44137  0.6973674     331.7480       34.23319  290.8283       34.20734      1.178163       1.394735  
1 1 1 2   12 15 o 6.809439  0.4031380     57.51103       7.379624  36.67352       7.702139      1.557012       0.8062761 
1 1 1 2   12 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   12 17 o 5.611979  0.5076488     43.91335       7.199605  21.71574       7.770587      2.060483       1.015298  
1 1 1 2   12 18 o 3.456870  0.6886113     12.69880       6.648492  14.03236       7.438556      -0.1590385     1.377223  
1 1 1 2   12 19 o 5.970359  0.5453233     48.21396       8.388511  28.28876       9.067726      1.765237       1.090647  
1 1 1 2   12 20 f 2.979209  0.7280532     14.55145       7.530185  5.144743       8.435109      0.9089567      1.456106  
1 1 1 2   12 21 o 2.395207  0.7208461     3.039499       8.121195  7.312205       9.126141      -0.3529390     1.441692  
1 1 1 2   12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   12 23 o 2.429378  0.7623595     15.50716       10.16994  7.507874       11.43044      0.4378330      1.524719  
1 1 1 2   14 0  o 6.843331  0.2629067     53.34547       5.048671  40.79155       5.036796      0.9219949      0.5258135 
1 1 1 2   14 1  o 12.40931  0.4260313     173.3634       14.87342  136.9932       14.82365      1.471212       0.8520626 
1 1 1 2   14 2  o 10.14010  0.3788707     113.3109       10.05677  92.53548       11.56995      1.042004       0.7577415 
1 1 1 2   14 3  o 12.58951  0.5185438     159.9973       19.87855  160.4392       17.18339      -0.3836409E-01 1.037088  
1 1 1 2   14 4  o 8.865108  0.3401937     83.77750       8.494521  74.15706       8.484512      0.5447974      0.6803873 
1 1 1 2   14 5  o 26.96124  1.049640      764.6665       79.73610  734.9357       79.70860      0.5528783      2.099280  
1 1 1 2   14 6  o 5.670413  0.2573959     34.84460       4.059461  29.64030       4.139615      0.4625860      0.5147918 
1 1 1 2   14 7  o 25.22171  0.9724883     669.5202       69.11136  633.5498       69.07637      0.7151847      1.944977  
1 1 1 2   14 8  o 20.79065  0.8012924     447.4529       46.92399  431.7907       46.94809      0.3780519      1.602585  
1 1 1 2   14 9  o 11.17153  0.4525448     141.0654       14.16793  110.3119       14.18583      1.384477       0.9050896 
1 1 1 2   14 10 o 3.568391  0.3627205     12.93196       3.365060  13.16703       3.785056      -0.2326708E-01 0.7254410 
1 1 1 2   14 11 o 35.77266  1.423984      1456.472       143.4683  1265.963       143.1047      2.669392       2.847969  
1 1 1 2   14 12 o 11.22750  1.436710      132.8171       31.52304  ?              ?             ?              ?         
1 1 1 2   14 13 o 19.37000  0.7728773     401.6622       42.14771  371.2936       42.15251      0.7870529      1.545755  
1 1 1 2   14 14 o 15.43548  0.6352150     264.2101       27.55310  224.5348       27.56932      1.292216       1.270430  
1 1 1 2   14 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   14 16 o 16.47267  0.6973382     304.2076       32.26139  269.1816       32.34709      1.071146       1.394676  
1 1 1 2   14 17 o 5.790050  0.5133703     29.72838       7.703191  41.25563       8.662950      -0.9755796     1.026741  
1 1 1 2   14 18 o 4.455153  0.6415157     27.58265       7.562985  15.78208       8.532205      1.361903       1.283031  
1 1 1 2   14 19 o 3.207083  0.7613419     10.16491       7.625667  15.31584       8.827699      -0.5390951     1.522684  
1 1 1 2   14 20 o 1.943301  0.6420989     -5.562568      8.110860  -1.226292      9.502803      -0.3411037     1.284198  
1 1 1 2   14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   14 22 o 2.205332  0.7173785     8.999441       9.827848  1.118204       11.30672      0.3092989      1.434757  
1 1 1 2   16 0  o 18.53143  0.6589953     385.2055       34.34489  310.1993       34.28400      2.032180       1.317991  
1 1 1 2   16 1  o 19.67904  0.6552513     433.9301       36.30679  350.1504       36.19148      2.136070       1.310503  
1 1 1 2   16 2  o 19.89321  1.095958      439.0556       61.08435  377.4883       61.05390      1.560244       2.191916  
1 1 1 2   16 3  o 20.71667  0.7123647     475.0906       41.57080  394.6916       41.46413      1.947335       1.424729  
1 1 1 2   16 4  o 10.34471  0.4344185     116.9408       13.65843  99.74404       11.75518      0.8206961      0.8688369 
1 1 1 2   16 5  o 14.42426  0.5671958     225.0372       23.03854  194.7226       22.99493      1.055374       1.134392  
1 1 1 2   16 6  o 20.70108  0.8011764     450.7548       46.72223  420.6341       46.70321      0.7299690      1.602353  
1 1 1 2   16 7  o 20.97382  0.8057292     470.6861       47.62157  424.2287       47.54096      1.111238       1.611458  
1 1 1 2   16 8  o 18.14111  0.6991906     363.2442       35.70618  304.3706       35.62221      1.629696       1.398381  
1 1 1 2   16 9  o 12.08162  0.4984637     166.8291       16.86334  128.0700       16.87877      1.613901       0.9969275 
1 1 1 2   16 10 o 6.123159  0.3370580     40.75329       5.540104  34.42288       6.047589      0.5283382      0.6741161 
1 1 1 2   16 11 o 2.579486  0.5209335     10.38269       4.212039  1.478966       4.834661      1.205393       1.041867  
1 1 1 2   16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   16 13 o 11.90457  0.5068741     154.6585       16.88734  133.9629       17.04049      0.8762473      1.013748  
1 1 1 2   16 14 o 2.524525  0.6353061     -0.3783668     5.837699  10.97661       6.852561      -1.302829      1.270612  
1 1 1 2   16 15 o 5.201333  0.5286667     28.46060       7.099105  28.49666       8.116036      0.3451563E-01  1.057333  
1 1 1 2   16 16 f 8.465619  0.4738366     75.17883       10.93249  74.45174       11.60307      0.6581742E-01  0.9476731 
1 1 1 2   16 17 o 4.069422  0.7046932     19.16399       7.514779  19.18944       8.755062      0.6045361E-01  1.409386  
1 1 1 2   16 18 o 4.432906  0.7151105     25.42406       8.273515  21.49726       9.619980      0.5396804      1.430221  
1 1 1 2   16 19 o 3.881394  0.8089731     22.34680       9.011723  19.15115       10.35026      0.4457890      1.617946  
1 1 1 2   16 20 o 2.070677  0.7008649     1.782194       11.11972  -14.55824      13.15813      0.3614152      1.401730  
1 1 1 2   16 21 o 2.703875  0.8180010     11.16236       10.23243  19.11858       12.20674      -0.3963086     1.636002  
1 1 1 2   18 0  o 44.72662  1.546659      2226.438       195.2462  1998.543       194.5544      2.547118       3.093319  
1 1 1 2   18 1  o 4.349116  0.2177768     23.59469       2.923117  14.91988       2.386598      0.9976200      0.4355537 
1 1 1 2   18 2  o 2.202399  0.4267582     8.091816       3.024108  0.4595506      3.363473      1.233486       0.8535163 
1 1 1 2   18 3  o 13.03207  0.7199259     189.1009       26.27160  155.7633       26.23586      1.290547       1.439852  
1 1 1 2   18 4  o 17.97097  0.6672121     374.1353       33.67808  281.2766       33.49483      2.595061       1.334424  
1 1 1 2   18 5  o 20.17141  0.7547693     443.5403       42.91059  383.7459       42.78516      1.487342       1.509539  
1 1 1 2   18 6  o 8.551068  0.3614379     82.72462       8.660865  64.43417       8.664328      1.076177       0.7228758 
1 1 1 2   18 7  o 13.47018  0.5323808     190.3069       20.17149  176.7421       20.21621      0.5058072      1.064762  
1 1 1 2   18 8  o 4.587968  0.3820590     18.29645       4.965462  24.10288       4.705520      -0.6534008     0.7641180 
1 1 1 2   18 9  o 5.562321  0.3604467     36.09601       5.367556  26.11865       5.751369      0.9177883      0.7208934 
1 1 1 2   18 10 o 16.92063  2.179080      324.3297       72.03263  ?              ?             ?              ?         
1 1 1 2   18 11 o 9.176802  0.4314920     95.00296       10.83388  75.39010       11.35109      1.084607       0.8629840 
1 1 1 2   18 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   18 13 o 9.704451  0.4757787     100.8361       12.66123  92.17201       13.30212      0.4629961      0.9515573 
1 1 1 2   18 14 f 12.44978  0.5659354     164.3198       19.59754  160.7165       20.05342      0.1594446      1.131871  
1 1 1 2   18 15 o 10.55131  0.5397447     137.3673       15.63839  98.28672       16.01628      1.885947       1.079489  
1 1 1 2   18 16 o 3.018191  0.7805469     7.869058       8.329812  11.92052       9.161831      -0.4138329     1.561094  
1 1 1 2   18 17 o 2.911862  0.7942354     9.261588       8.710139  9.649599       9.882964      -0.7335883E-01 1.588471  
1 1 1 2   18 18 f 3.149781  0.7655261     21.86206       9.138533  1.434594       10.59165      1.643642       1.531052  
1 1 1 2   18 19 o 2.931124  1.036733      13.32735       37.25702  19.93152       34.83458      -0.7153492E-01 2.073466  
1 1 1 2   18 20 o 4.622537  0.7637910     59.69024       11.89950  15.85445       13.45624      3.738277       1.527582  
1 1 1 2   18 21 f 2.099485  0.7163342     6.330425       11.64387  9.765654       14.04116      -0.1006887     1.432668  
1 1 1 2   20 0  o 5.030848  0.2379630     32.47607       3.303427  18.97836       3.266699      1.352659       0.4759260 
1 1 1 2   20 1  o 3.086868  0.2623003     7.014385       2.230826  12.23337       2.127473      -0.8728699     0.5246006 
1 1 1 2   20 2  o 8.761999  0.5173367     81.56478       12.68812  74.15583       12.69896      0.4264656      1.034673  
1 1 1 2   20 3  o 2.107518  0.5555336     1.656821       4.227217  5.279172       4.870024      -0.5432518     1.111067  
1 1 1 2   20 4  o 10.53521  0.5526087     116.7695       14.78456  106.7850       18.49270      0.5207680      1.105217  
1 1 1 2   20 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   20 6  o 26.91676  1.053566      827.8719       79.83657  693.2782       79.59036      2.508223       2.107132  
1 1 1 2   20 7  f 19.12317  0.7405759     412.7401       39.87526  339.5236       39.71661      1.921504       1.481152  
1 1 1 2   20 8  o 10.15427  0.4449112     112.9219       12.60112  95.83347       12.78346      0.8488332      0.8898225 
1 1 1 2   20 9  o 6.388035  0.4007443     48.28538       6.865413  34.24733       7.315844      1.124178       0.8014886 
1 1 1 2   20 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   20 11 o 7.974644  0.4586881     75.10082       9.911642  54.89376       10.42534      1.294914       0.9173762 
1 1 1 2   20 12 o 9.732588  0.5081064     118.9395       13.47607  78.08199       13.81991      2.131394       1.016213  
1 1 1 2   20 13 o 4.496819  0.6478584     24.96364       7.459743  18.37956       8.909687      0.7946150      1.295717  
1 1 1 2   20 14 o 3.116575  0.7551728     5.297230       7.559524  16.75076       9.301636      -1.205858      1.510346  
1 1 1 2   20 15 o 2.384978  0.7019722     8.680492       7.948225  -7.266771      9.734316      0.8462713      1.403944  
1 1 1 2   20 16 o 2.344235  0.7175465     -5.411505      8.709625  10.43875       10.57929      -1.074203      1.435093  
1 1 1 2   20 17 o 2.240839  0.7108251     8.521765       9.507115  -10.66106      11.28654      0.7531230      1.421650  
1 1 1 2   20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   20 19 o 2.868613  0.8696753     17.87125       11.50392  22.78087       13.96912      -0.1057997     1.739351  
1 1 1 2   22 0  o 11.06819  0.4832531     154.1030       13.63097  95.62828       15.52165      2.687084       0.9665061 
1 1 1 2   22 1  o 10.24744  0.7036205     131.1061       12.60598  79.57673       25.34557      2.834103       1.407241  
1 1 1 2   22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   22 3  o 2.043361  0.9601313     ?              ?         -10.12809      10.00586      ?              ?         
1 1 1 2   22 4  o 14.59272  0.8422653     244.4159       34.43285  200.2348       34.27732      1.525902       1.684531  
1 1 1 2   22 5  o 5.957351  0.3218484     44.65261       5.315204  27.56407       5.244036      1.449032       0.6436968 
1 1 1 2   22 6  o 6.142199  0.3887852     40.75172       7.219022  36.49644       6.234326      0.3314794      0.7775705 
1 1 1 2   22 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   22 8  o 9.236134  0.4601957     108.9307       11.69586  66.94402       11.69023      2.294730       0.9203913 
1 1 1 2   22 9  o 13.92622  0.6163533     235.6461       24.04849  170.8517       23.85783      2.337570       1.232707  
1 1 1 2   22 10 o 4.595626  0.5720639     22.09512       6.765471  23.39412       7.645710      -0.1043079     1.144128  
1 1 1 2   22 11 o 11.38999  0.5480267     150.2232       17.40055  123.5691       17.59535      1.186508       1.096053  
1 1 1 2   22 12 o 5.974629  0.5744686     46.90686       8.891455  29.57175       9.677945      1.548510       1.148937  
1 1 1 2   22 13 o 4.859793  0.6847558     35.40394       8.811933  18.21378       9.985240      1.825680       1.369512  
1 1 1 2   22 14 o 3.509156  0.8395367     15.53658       9.401505  17.04751       10.47536      -0.1155504     1.679073  
1 1 1 2   22 15 o 4.844037  0.8257554     28.36818       10.20539  37.79328       12.34096      -0.6192929     1.651511  
1 1 1 2   22 16 o 3.404609  0.9013481     18.13923       10.65410  23.21794       12.97886      -0.2325267     1.802696  
1 1 1 2   22 17 o 2.646527  1.316051      ?              ?         14.13137       27.20441      ?              ?         
1 1 1 2   22 18 o 1.848753  0.6510284     -1.336893      12.43752  -18.34845      15.40399      0.1887351      1.302057  
1 1 1 2   24 0  o 6.272151  0.4026921     45.17675       6.537648  34.18792       7.549003      0.9134818      0.8053843 
1 1 1 2   24 1  o 3.114086  0.5677087     14.69912       5.215028  4.470768       5.789891      1.351308       1.135417  
1 1 1 2   24 2  o 5.494408  0.5643733     31.80055       8.418414  31.49550       8.613501      0.3463816E-01  1.128747  
1 1 1 2   24 3  o 10.79101  0.6754526     120.2017       20.28174  124.6148       20.52108      -0.1996174     1.350905  
1 1 1 2   24 4  o 3.588064  0.7317166     21.20857       8.330491  2.631829       9.756165      1.758191       1.463433  
1 1 1 2   24 5  o 8.490734  0.6653659     82.84753       15.69778  69.65331       15.63031      0.7877793      1.330732  
1 1 1 2   24 6  o 1.801670  0.5140243     -1.421932      4.418621  3.633186       4.103374      -0.4909738     1.028049  
1 1 1 2   24 7  o 5.645977  0.4299785     37.78421       6.664541  27.96383       6.746028      0.8898972      0.8599571 
1 1 1 2   24 8  o 1.928482  0.5903956     -0.9899955     5.680482  0.8935046      6.232089      -0.2323736     1.180791  
1 1 1 2   24 9  o 6.585691  0.4862403     51.53535       8.449992  39.27447       9.301489      0.9907777      0.9724806 
1 1 1 2   24 10 o 7.903933  0.5319520     82.64429       11.26590  51.96180       11.66291      1.999000       1.063904  
1 1 1 2   24 11 o 5.716256  0.6202610     30.72698       9.181088  43.60475       10.11347      -1.078764      1.240522  
1 1 1 2   24 12 o 1.923928  0.6445093     -7.833112      8.606882  -5.112969      10.18972      -0.2855382     1.289019  
1 1 1 2   24 13 o 5.619387  0.7386416     47.34341       10.60226  32.92680       12.60055      1.584617       1.477283  
1 1 1 2   24 14 o 2.337700  0.7583643     1.456086       10.40216  3.872761       12.48950      -0.2125267     1.516729  
1 1 1 2   24 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   26 0  o 3.341490  0.4970065     14.34206       5.647622  10.60518       3.849264      0.4726240      0.9940130 
1 1 1 2   26 1  f 6.646589  0.5307760     52.35398       9.471742  40.32570       10.02436      0.9493891      1.061552  
1 1 1 2   26 2  o 1.690812  0.5717270     -5.570755      7.644354  -14.73419      8.112081      0.2890866      1.143454  
1 1 1 2   26 3  o 3.250658  0.7693037     19.67794       9.296798  -1.866566      10.47033      1.723697       1.538607  
1 1 1 2   26 4  o 3.345496  0.8700221     14.35741       10.67039  8.814845       11.25046      0.4326003      1.740044  
1 1 1 2   26 5  o 7.724982  0.9593624     90.75042       17.50126  51.30442       24.33001      3.097207       1.918725  
1 1 1 2   26 6  o 5.429454  0.9379174     41.95200       13.96931  31.22652       15.12965      1.003200       1.875835  
1 1 1 2   26 7  f 5.670113  0.4877341     39.96434       6.734290  27.84435       8.475883      1.218253       0.9754682 
1 1 1 2   26 8  o 9.250597  0.5088484     109.7722       13.17262  77.12495       12.96066      1.769770       1.017697  
1 1 1 2   26 9  o 2.782952  0.7158076     13.66760       7.783653  3.452788       7.766112      0.9719816      1.431615  
1 1 1 2   26 10 o 2.681564  0.8724315     5.614493       17.79089  0.8978701      13.11484      0.3902900      1.744863  
1 1 1 2   26 11 o 4.323261  1.171612      56.73951       21.25795  30.80569       21.14648      1.382843       2.343225  
1 1 1 2   26 12 o 3.089988  1.450982      22.30598       22.78761  ?              ?             ?              ?         
1 1 1 2   26 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   28 0  o 1.076954  0.5400941     ?              ?         -13.59768      5.029989      ?              ?         
1 1 1 2   28 1  o 4.556351  0.6605181     37.69952       8.576649  11.26220       9.058290      2.733770       1.321036  
1 1 1 2   28 2  o 4.463496  0.8166504     21.74392       9.959949  29.61460       10.90981      -0.7226207     1.633301  
1 1 1 2   28 3  o 2.515889  0.7958226     0.1804175      10.81740  2.698343       12.51700      -0.2517328     1.591645  
1 1 1 2   28 4  o 3.036736  0.8148856     25.27688       12.35092  -16.04905      13.77128      2.125622       1.629771  
1 1 1 2   28 5  o 2.864542  0.8916284     -1.353336      14.20137  14.78795       14.87889      -0.7718230     1.783257  
1 1 1 2   28 6  o 3.841579  1.126888      26.89949       17.02641  31.05880       25.52965      0.8104799E-01  2.253775  
1 1 1 2   28 7  o 2.965780  0.9613852     16.28000       18.04435  3.169060       19.04934      0.4289771      1.922770  
1 1 1 2   28 8  o 2.990459  0.9781631     24.71873       19.79016  2.702451       20.51099      0.6734864      1.956326  
1 1 1 2   28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   28 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   28 11 o 2.673505  0.8280591     11.20375       11.42920  19.87451       12.66930      -0.4131753     1.656118  
1 1 1 2   30 0  o 3.540130  0.5481440     17.11000       5.265092  13.44935       5.480539      0.5372754      1.096288  
1 1 1 2   30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 2   30 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   1  0  o 23.86433  1.220283      573.6784       58.04908  ?              ?             ?              ?         
1 1 1 3   1  1  f 34.27308  2.488567      1203.483       169.4194  ?              ?             ?              ?         
1 1 1 3   1  2  o 16.75798  1.221750      283.6194       40.66678  ?              ?             ?              ?         
1 1 1 3   1  3  o 31.94035  1.730505      1003.781       155.0147  1085.072       155.0980      -1.280831      3.461009  
1 1 1 3   1  4  o 26.39389  1.434439      648.5842       105.9744  768.3513       106.1004      -2.287650      2.868879  
1 1 1 3   1  5  o 26.71373  1.361879      613.9443       101.2280  839.0628       101.6763      -4.250028      2.723757  
1 1 1 3   1  6  o 12.24225  0.6458347     126.2380       21.96963  175.9862       22.06345      -2.051535      1.291669  
1 1 1 3   1  7  o 24.82087  1.345405      551.3504       93.20650  709.0419       93.37955      -3.206416      2.690810  
1 1 1 3   1  8  o 2.968236  0.2831980     6.623497       2.282604  11.16927       2.258075      -0.7913075     0.5663960 
1 1 1 3   1  9  o 28.70546  1.670110      833.1703       134.4314  922.7748       134.0965      -1.578854      3.340220  
1 1 1 3   1  10 o 15.26859  0.6748469     247.3365       35.52528  231.4327       25.07509      0.4253460      1.349694  
1 1 1 3   1  11 o 23.59196  0.9163496     554.9990       60.87348  588.3167       60.91274      -0.7081521     1.832699  
1 1 1 3   1  12 o 28.93052  1.124505      863.5646       91.65757  870.4028       91.66488      -0.1184672     2.249009  
1 1 1 3   1  13 o 20.35407  0.7755642     418.6514       44.47747  423.7086       44.48983      -0.1245034     1.551128  
1 1 1 3   1  14 o 16.34309  0.6269457     264.2415       28.85327  276.1317       28.88088      -0.3647551     1.253891  
1 1 1 3   1  15 o 18.90825  0.7383309     360.1432       39.31947  367.6623       39.34330      -0.1992532     1.476662  
1 1 1 3   1  16 o 10.63197  0.4360646     109.7149       13.03183  118.4718       13.06952      -0.4131640     0.8721291 
1 1 1 3   1  17 o 27.27253  1.099838      782.2239       84.46637  795.2500       84.50436      -0.2388706     2.199676  
1 1 1 3   1  18 o 7.873755  0.3869644     63.53880       8.526840  62.24507       8.601248      0.8358300E-01  0.7739288 
1 1 1 3   1  19 o 7.348157  0.3988463     52.66373       8.196897  57.50074       8.243986      -0.3305086     0.7976927 
1 1 1 3   1  20 o 10.19223  0.4722853     110.2203       13.54431  105.3708       13.53018      0.2386038      0.9445706 
1 1 1 3   1  21 o 1.816259  0.5756838     1.004918       6.284119  -5.516629      6.326076      0.4163066      1.151368  
1 1 1 3   1  22 o 10.59494  0.5000679     123.7169       14.89089  122.1976       14.90802      0.7319630E-01  1.000136  
1 1 1 3   1  23 o 4.994290  0.6160465     38.59610       8.381962  21.95856       8.306117      1.696644       1.232093  
1 1 1 3   1  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   1  25 o 2.343616  0.6446991     -14.06712      9.034469  25.37776       9.296096      -2.085996      1.289398  
1 1 1 3   3  0  o 25.42640  0.9160057     661.7880       65.67246  641.1187       65.63320      0.4074556      1.832011  
1 1 1 3   3  1  o 23.71053  0.8374785     557.5720       55.96941  574.3795       55.99420      -0.3552955     1.674957  
1 1 1 3   3  2  o 37.78859  1.399095      1515.968       149.0041  1380.498       148.8387      1.798277       2.798190  
1 1 1 3   3  3  o 21.23537  0.7758729     434.1284       46.38493  472.9760       46.45033      -0.9176017     1.551746  
1 1 1 3   3  4  f 45.90718  1.695518      2098.871       219.3166  2213.175       219.3574      -1.248611      3.391035  
1 1 1 3   3  5  f 9.452959  0.3461092     83.43914       9.198803  95.70628       9.223097      -0.6513388     0.6922185 
1 1 1 3   3  6  o 28.79601  1.025798      799.2972       83.13781  878.7391       83.31339      -1.383241      2.051595  
1 1 1 3   3  7  o 10.76611  0.4048093     113.9203       12.27256  118.9481       12.28852      -0.2341563     0.8096187 
1 1 1 3   3  8  o 18.27106  0.6857038     318.4735       35.24158  355.5097       35.31676      -1.017013      1.371408  
1 1 1 3   3  9  o 24.55554  0.9178514     605.8480       63.52885  627.2386       63.49968      -0.4371195     1.835703  
1 1 1 3   3  10 o 15.58724  0.7450526     211.0196       29.39707  288.9100       36.11647      -2.441761      1.490105  
1 1 1 3   3  11 o 10.28680  0.5768865     105.0721       16.64171  109.8272       16.64634      -0.2326553     1.153773  
1 1 1 3   3  12 o 13.90456  0.7564687     168.2243       29.26740  225.3621       29.39884      -2.074327      1.512937  
1 1 1 3   3  13 o 33.41994  1.923024      1081.671       179.2413  1342.255       179.7653      -3.930839      3.846048  
1 1 1 3   3  14 o 25.26233  1.423831      610.1108       100.4774  730.0573       100.7977      -2.391940      2.847661  
1 1 1 3   3  15 o 9.411785  0.5512643     84.91256       14.44274  94.74665       14.61435      -0.5250099     1.102529  
1 1 1 3   3  16 o 10.82739  0.7651377     103.0556       27.50139  132.4605       19.71654      -1.523544      1.530275  
1 1 1 3   3  17 o 16.75970  0.9606882     261.6122       44.77555  327.4268       45.17442      -1.975854      1.921376  
1 1 1 3   3  18 o 6.221684  0.5495012     34.05001       9.028950  45.99571       9.782748      -0.9618902     1.099002  
1 1 1 3   3  19 o 7.922307  0.5896492     44.48252       11.97876  88.53360       13.11889      -2.803514      1.179298  
1 1 1 3   3  20 o 5.200654  0.5122873     28.10541       7.637076  29.09439       7.057787      -0.1223688     1.024575  
1 1 1 3   3  21 o 2.820323  0.6784627     9.455106       6.439495  7.683605       6.545284      0.2043803      1.356925  
1 1 1 3   3  22 o 5.237393  0.5423247     32.38159       7.698803  29.28124       7.877151      0.3189932      1.084649  
1 1 1 3   3  23 o 3.142435  0.7333500     16.82393       7.733213  10.26483       7.792772      0.7125429      1.466700  
1 1 1 3   3  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   3  25 o 2.371598  0.7266417     6.444004       9.246000  17.66446       9.525270      -0.6666381     1.453283  
1 1 1 3   5  0  o 33.81301  1.250341      1182.871       119.1557  1133.305       119.1327      0.7350582      2.500681  
1 1 1 3   5  1  o 8.408993  0.3399793     74.39044       7.520952  66.65881       8.684416      0.4681478      0.6799586 
1 1 1 3   5  2  o 33.22835  1.226481      1105.043       114.8429  1132.350       114.8846      -0.4118980     2.452962  
1 1 1 3   5  3  o 17.72443  0.6502995     303.7061       32.45064  327.8121       32.49905      -0.6821191     1.300599  
1 1 1 3   5  4  o 25.02744  0.9050125     628.9951       63.86831  635.5146       63.83338      -0.1307275     1.810025  
1 1 1 3   5  5  o 58.54355  2.165692      3459.044       357.0045  3716.297       357.4078      -2.201310      4.331384  
1 1 1 3   5  6  o 6.582835  0.2563495     44.07149       4.743601  42.90763       4.764935      0.8879840E-01  0.5126989 
1 1 1 3   5  7  o 15.78789  0.5876169     236.9440       26.09192  264.9380       26.15798      -0.8896293     1.175234  
1 1 1 3   5  8  o 14.39287  0.5415276     197.5261       21.92187  220.0371       21.97369      -0.7847171     1.083055  
1 1 1 3   5  9  o 4.267595  0.2113812     18.77567       2.510492  17.83689       2.559695      0.1111247      0.4227625 
1 1 1 3   5  10 f 16.71061  0.6311431     271.8115       29.68797  294.3102       29.72780      -0.6752393     1.262286  
1 1 1 3   5  11 o 10.57258  0.4125946     114.9320       12.28775  110.2836       12.28898      0.2205702      0.8251893 
1 1 1 3   5  12 o 17.48162  0.6579362     304.6869       32.39714  314.4594       32.42628      -0.2801408     1.315872  
1 1 1 3   5  13 o 28.54272  1.103786      813.2104       88.70440  864.4058       88.77873      -0.8992100     2.207573  
1 1 1 3   5  14 o 21.67905  0.8272123     467.0001       50.49160  491.1664       50.55487      -0.5586423     1.654425  
1 1 1 3   5  15 o 10.59024  0.4287798     113.7657       12.76355  112.5360       12.81600      0.5864957E-01  0.8575596 
1 1 1 3   5  16 o 5.528884  1.025355      ?              ?         32.15913       10.92076      ?              ?         
1 1 1 3   5  17 o 13.34867  0.9399585     201.3196       29.88796  166.8376       42.30978      1.621803       1.879917  
1 1 1 3   5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   5  19 o 15.72398  0.6903898     261.9543       28.51275  261.3277       33.10076      0.1600704      1.380780  
1 1 1 3   5  20 o 8.129441  0.6251934     66.75744       13.55540  76.22897       14.75831      -0.5337622     1.250387  
1 1 1 3   5  21 o 3.272581  0.8150826     12.11887       8.623864  12.55384       10.30979      -0.7392178E-01 1.630165  
1 1 1 3   5  22 o 3.976812  0.8370645     23.91797       9.495149  17.87350       11.77213      0.7253775      1.674129  
1 1 1 3   5  23 o 4.217606  0.9138125     26.19850       10.73937  33.55463       13.47206      -0.2914297     1.827625  
1 1 1 3   5  24 o 2.383445  0.7727829     8.802270       10.47158  5.674844       13.87319      0.8208922E-01  1.545566  
1 1 1 3   7  0  o 2.042734  0.1173115     5.431824       0.7074931 3.085142       0.6163046     0.5782793      0.2346230 
1 1 1 3   7  1  o 20.89141  0.7244990     491.9104       42.54322  386.8956       42.45605      2.523791       1.448998  
1 1 1 3   7  2  o 45.31784  1.587691      2117.412       202.8386  2089.547       202.9015      0.3085583      3.175382  
1 1 1 3   7  3  o 73.66768  2.920906      5814.793       606.1055  5937.993       606.1795      -0.8381711     5.841813  
1 1 1 3   7  4  o 54.28026  1.990760      2990.121       304.4792  3160.700       304.5363      -1.575708      3.981519  
1 1 1 3   7  5  o 27.41446  1.023051      747.5159       79.01214  778.7427       79.05608      -0.5710198     2.046102  
1 1 1 3   7  6  o 7.248586  0.2839393     53.27736       5.789977  52.24945       5.806829      0.7122222E-01  0.5678786 
1 1 1 3   7  7  o 30.70721  1.229228      882.5377       98.78848  1077.745       114.4086      -3.027997      2.458457  
1 1 1 3   7  8  o 15.23835  0.5808198     224.6880       24.91039  244.7614       24.94400      -0.6608205     1.161640  
1 1 1 3   7  9  o 14.55679  0.5537760     209.3505       22.70577  219.2947       22.71856      -0.3425620     1.107552  
1 1 1 3   7  10 o 12.15722  0.4616054     143.1649       15.78567  154.8360       15.82806      -0.4814088     0.9232107 
1 1 1 3   7  11 o 16.85984  0.6387236     286.7144       30.33904  289.2078       30.35550      -0.7404188E-01 1.277447  
1 1 1 3   7  12 o 18.01966  0.6964713     324.5467       35.34774  333.8220       35.37136      -0.2580056     1.392943  
1 1 1 3   7  13 o 19.67188  0.7525592     390.7377       41.70382  395.5611       41.72857      -0.1227782     1.505118  
1 1 1 3   7  14 o 10.19208  0.4175556     109.6872       11.94913  99.47137       12.00535      0.5037869      0.8351112 
1 1 1 3   7  15 o 9.494603  0.3953415     87.84483       10.49879  93.99926       10.63356      -0.3242646     0.7906831 
1 1 1 3   7  16 o 5.742341  0.3554924     33.20930       5.606964  33.63754       5.830747      -0.3451205E-01 0.7109847 
1 1 1 3   7  17 o 6.807801  0.3765195     43.47302       7.046162  50.53913       7.318905      -0.5189341     0.7530391 
1 1 1 3   7  18 o 4.665212  0.4864195     23.69067       6.032758  21.39646       6.428422      0.2647806      0.9728390 
1 1 1 3   7  19 o 11.14650  0.4828064     138.3867       15.12173  118.4157       15.12224      0.9009313      0.9656128 
1 1 1 3   7  20 o 2.586564  0.6706035     7.260500       6.280510  5.340590       6.627540      0.1821862      1.341207  
1 1 1 3   7  21 o 2.451586  0.6739489     7.903704       6.710828  2.358194       7.083186      0.4900118      1.347898  
1 1 1 3   7  22 o 4.409529  0.6602508     27.09601       7.816302  20.33339       8.318593      0.8189689      1.320502  
1 1 1 3   7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   7  24 o 2.076739  0.6609110     -5.108466      8.798903  13.36344       9.483513      -0.9353350     1.321822  
1 1 1 3   9  0  o 16.46557  0.6068437     290.5779       28.14961  254.6398       28.11314      1.095528       1.213687  
1 1 1 3   9  1  o 44.23438  2.141609      2299.473       220.2352  1778.949       310.8917      6.849730       4.283218  
1 1 1 3   9  2  o 11.89706  0.4439172     158.5991       15.99272  127.1468       13.82786      1.315836       0.8878345 
1 1 1 3   9  3  o 22.30661  0.8327219     520.8732       52.35853  485.5195       52.30470      0.7948281      1.665444  
1 1 1 3   9  4  o 31.89585  1.150437      1034.284       103.4456  1046.970       103.4390      -0.1994436     2.300874  
1 1 1 3   9  5  o 20.86575  0.7998387     447.0801       47.02339  436.6788       47.02702      0.2500323      1.599677  
1 1 1 3   9  6  o 17.45010  0.6620726     301.3477       32.51620  315.4661       32.58715      -0.4053130     1.324145  
1 1 1 3   9  7  o 8.709570  0.3405291     72.93126       8.321512  79.61357       8.380942      -0.3846699     0.6810583 
1 1 1 3   9  8  o 7.573591  0.3021513     58.61808       6.424686  56.73659       6.466686      0.1249312      0.6043026 
1 1 1 3   9  9  o 15.91974  0.6060683     250.7418       27.16669  262.6779       27.20132      -0.3758134     1.212137  
1 1 1 3   9  10 o 28.24403  1.082158      804.6664       86.08449  841.8663       86.13544      -0.6601350     2.164316  
1 1 1 3   9  11 o 10.68821  0.4241712     113.6854       12.74466  116.4325       12.79724      -0.1286083     0.8483424 
1 1 1 3   9  12 o 28.18785  1.077879      804.2362       85.58138  830.9052       85.63400      -0.4740223     2.155758  
1 1 1 3   9  13 o 3.765853  0.3344177     15.64670       3.371764  12.95592       3.582532      0.3704505      0.6688355 
1 1 1 3   9  14 o 8.257431  0.3594025     71.41563       8.309530  65.86230       8.389087      0.3384950      0.7188051 
1 1 1 3   9  15 o 6.494255  0.3533307     42.60833       6.329867  42.67825       6.556675      -0.2846451E-02 0.7066613 
1 1 1 3   9  16 o 14.47023  0.5658681     217.3794       23.00770  209.9109       23.12662      0.2604700      1.131736  
1 1 1 3   9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   9  18 o 14.15646  0.5866346     224.4913       23.36955  192.3203       23.32237      1.140978       1.173269  
1 1 1 3   9  19 o 3.168933  0.6682457     12.22076       6.229985  9.502766       6.811062      0.3343098      1.336491  
1 1 1 3   9  20 o 1.825924  0.5833449     1.330754       6.498051  -8.217201      7.040459      0.4790766      1.166690  
1 1 1 3   9  21 o 3.118273  0.6805220     17.79996       7.148806  3.988879       7.743752      1.467984       1.361044  
1 1 1 3   9  22 o 2.951307  0.7463183     15.00345       7.831974  8.215554       8.568321      0.6669397      1.492637  
1 1 1 3   9  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   9  24 o 1.663523  0.5805312     -7.260484      9.316292  -5.870752      10.40560      -0.1035616     1.161062  
1 1 1 3   11 0  o 12.85672  0.5175158     181.2083       17.42012  149.7574       20.08601      1.248622       1.035032  
1 1 1 3   11 1  o 8.435423  0.3199980     78.99729       7.586948  63.86242       7.578981      0.9014485      0.6399959 
1 1 1 3   11 2  o 11.81726  0.4025371     155.4086       13.38703  125.3588       13.35519      1.276394       0.8050742 
1 1 1 3   11 3  o 18.51762  0.6976025     353.9209       36.39649  341.1999       36.40552      0.3446008      1.395205  
1 1 1 3   11 4  f 20.10981  0.7620168     447.4594       43.13401  374.3082       43.04636      1.826512       1.524034  
1 1 1 3   11 5  o 1.346764  0.3215216     1.639502       1.332352  1.748200       1.600297      -0.7284811E-01 0.6430431 
1 1 1 3   11 6  o 10.89183  0.4251409     124.4928       13.03785  114.5073       13.04092      0.4601646      0.8502818 
1 1 1 3   11 7  f 16.92553  0.6506358     280.6507       31.00233  300.6713       31.03437      -0.5932443     1.301272  
1 1 1 3   11 8  o 15.76276  0.5924971     252.7772       26.31969  250.2801       26.32151      0.7945134E-01  1.184994  
1 1 1 3   11 9  f 9.738358  0.3776806     98.13593       10.32677  92.63036       10.39397      0.2840855      0.7553613 
1 1 1 3   11 10 o 34.92041  1.279352      1219.771       125.7601  1313.778       125.9869      -1.347956      2.558705  
1 1 1 3   11 11 o 26.32766  0.9750140     701.2180       72.30363  718.6280       72.39217      -0.3308030     1.950028  
1 1 1 3   11 12 o 15.17929  0.5991486     241.2240       25.59895  224.9390       25.62344      0.5386047      1.198297  
1 1 1 3   11 13 o 6.295865  0.3260404     43.76060       5.638716  35.82132       5.863980      0.6386639      0.6520809 
1 1 1 3   11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   11 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   11 16 o 14.14200  0.5723239     211.8338       22.74911  198.2338       22.82812      0.4839989      1.144648  
1 1 1 3   11 17 o 9.480716  0.4438425     102.8268       11.75475  80.80970       11.81270      1.171045       0.8876849 
1 1 1 3   11 18 o 2.016976  0.6135296     -0.1201655     5.987493  0.4398006      6.687032      -0.1475377     1.227059  
1 1 1 3   11 19 o 2.468704  0.6740181     7.237864       6.480572  2.041522       7.262283      0.4186558      1.348036  
1 1 1 3   11 20 o 3.548716  0.7144622     12.94998       7.118860  17.75976       7.995348      -0.5352417     1.428924  
1 1 1 3   11 21 o 2.998632  0.7038643     2.050617       7.550697  20.43259       8.508616      -1.774227      1.407729  
1 1 1 3   11 22 o 2.549952  0.9035740     10.12286       28.17596  -28.03607      27.51648      0.4825130      1.807148  
1 1 1 3   11 23 o 5.784489  0.7300962     55.43317       11.10645  46.56407       12.02460      1.040120       1.460192  
1 1 1 3   13 0  o 5.194507  0.2227650     32.99438       2.956109  21.33273       3.389043      1.136237       0.4455300 
1 1 1 3   13 1  o 9.283889  0.3313318     102.3077       8.600733  71.66911       8.566232      1.657788       0.6626637 
1 1 1 3   13 2  o 8.862993  0.3177964     100.3727       7.774816  59.51777       7.731137      2.316012       0.6355929 
1 1 1 3   13 3  f 17.61201  0.8482241     369.0932       34.09805  259.6743       48.16124      3.306818       1.696448  
1 1 1 3   13 4  o 8.698601  0.3606149     76.77910       8.266813  75.45410       9.534125      0.8570982E-01  0.7212297 
1 1 1 3   13 5  o 16.72689  0.6419293     284.1931       30.24788  283.6034       30.26479      0.1781739E-01  1.283859  
1 1 1 3   13 6  f 31.38446  1.224105      1037.818       108.2705  1017.292       108.2028      0.3271968      2.448209  
1 1 1 3   13 7  o 2.662813  0.2821670     6.662266       1.953995  7.902313       2.169876      -0.2311119     0.5643340 
1 1 1 3   13 8  o 11.74274  0.4601555     140.9529       15.20821  136.9718       15.23662      0.1702369      0.9203111 
1 1 1 3   13 9  o 16.94282  0.6460655     298.6387       30.82875  282.1942       30.84606      0.4870297      1.292131  
1 1 1 3   13 10 o 31.23326  1.211712      1013.979       106.6057  1010.545       106.6613      0.5575888E-01  2.423424  
1 1 1 3   13 11 o 20.79801  0.8070776     449.2692       47.26669  433.4977       47.31149      0.3807943      1.614155  
1 1 1 3   13 12 o 16.33160  0.6435822     278.8110       29.58338  263.2414       29.62205      0.4787340      1.287164  
1 1 1 3   13 13 o 15.38836  0.8971147     310.9609       33.12089  180.4562       40.48520      4.427925       1.794229  
1 1 1 3   13 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   13 15 o 16.84238  0.6730400     305.9932       31.87247  280.0480       31.95087      0.7748326      1.346080  
1 1 1 3   13 16 o 13.86421  0.5745605     218.7990       22.34012  178.2944       22.38553      1.470175       1.149121  
1 1 1 3   13 17 o 7.355155  0.4566447     66.21408       8.998065  45.29706       9.538705      1.460367       0.9132894 
1 1 1 3   13 18 o 3.093185  0.7097868     10.08835       6.699254  11.00834       7.560018      -0.1275821     1.419574  
1 1 1 3   13 19 o 2.534183  0.7070269     4.317695       7.003623  7.142978       8.042706      -0.3328371     1.414054  
1 1 1 3   13 20 o 2.073491  0.6312009     7.966016       7.558570  -12.70389      8.695282      1.032871       1.262402  
1 1 1 3   13 21 o 2.242234  0.6985870     5.998770       8.213031  -0.4235221     9.477601      0.2942867      1.397174  
1 1 1 3   13 22 f 2.189109  0.7088518     3.791216       9.307420  4.472008       10.52453      -0.7742393E-01 1.417704  
1 1 1 3   13 23 f 1.652649  0.5809169     -0.8368782     10.09179  -18.41291      11.62044      0.2917672      1.161834  
1 1 1 3   15 0  o 4.188106  0.2066272     21.60550       2.198551  13.68092       2.532327      0.9609498      0.4132545 
1 1 1 3   15 1  o 26.02099  0.9209460     817.0168       66.94920  575.9442       66.77950      4.652544       1.841892  
1 1 1 3   15 2  o 14.60590  0.5507916     253.4295       20.71655  177.6057       23.80217      2.636073       1.101583  
1 1 1 3   15 3  o 5.595787  0.2328343     32.45995       3.680335  30.44004       3.654844      0.1809999      0.4656686 
1 1 1 3   15 4  o 9.751631  0.3806033     98.96030       10.45872  92.35164       10.44710      0.3400007      0.7612067 
1 1 1 3   15 5  o 10.39213  0.4095133     114.8854       11.99818  102.3545       11.95813      0.6052105      0.8190266 
1 1 1 3   15 6  o 7.019043  0.2904525     52.69371       5.724231  46.19109       5.744431      0.4656459      0.5809051 
1 1 1 3   15 7  o 16.00386  0.6250476     277.8959       28.18215  239.6410       28.10121      1.200093       1.250095  
1 1 1 3   15 8  o 9.631590  0.3889514     93.75719       10.50959  93.03112       10.59447      0.3834857E-01  0.7779028 
1 1 1 3   15 9  o 7.108579  0.3347160     56.77658       6.600800  44.73690       6.726643      0.8545478      0.6694319 
1 1 1 3   15 10 f 11.65469  0.4714053     144.6574       15.42681  129.2934       15.49543      0.6626512      0.9428107 
1 1 1 3   15 11 o 4.790235  0.3602284     22.74565       4.532277  24.00980       5.133252      -0.1234957     0.7204568 
1 1 1 3   15 12 o 12.76382  0.5248796     173.8303       18.77155  156.5285       18.93382      0.6826506      1.049759  
1 1 1 3   15 13 f 13.57428  0.5588307     200.8289       21.23960  174.5740       21.42883      0.9745941      1.117661  
1 1 1 3   15 14 o 17.37622  1.700734      311.9730       80.44462  415.5125       80.89751      -3.045673      3.401468  
1 1 1 3   15 15 o 10.32126  0.4853600     122.1935       13.92483  96.14920       14.12801      1.275730       0.9707201 
1 1 1 3   15 16 o 5.435205  0.5229628     29.34785       7.490647  33.16362       8.195178      -0.3298478     1.045926  
1 1 1 3   15 17 o 3.681215  0.6975799     17.20030       7.157024  13.02587       7.927998      0.5144063      1.395160  
1 1 1 3   15 18 o 9.918381  0.5201538     118.4361       14.17302  93.68851       14.66131      1.288321       1.040308  
1 1 1 3   15 19 o 3.120886  0.7639230     15.00135       7.939442  8.586900       9.191265      0.6255598      1.527846  
1 1 1 3   15 20 o 2.017613  0.6589772     2.310944       8.410334  -7.096192      9.762393      0.3084925      1.317954  
1 1 1 3   15 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   15 22 o 1.709230  0.5991297     -5.154236      10.20045  -12.11366      11.93106      0.5722140E-01  1.198259  
1 1 1 3   17 0  o 19.99137  0.9289470     447.9242       43.85582  357.4700       61.88157      2.467067       1.857894  
1 1 1 3   17 1  o 17.64457  0.6231216     355.6929       30.84984  274.1454       30.82831      2.321138       1.246243  
1 1 1 3   17 2  o 23.24281  0.8520765     603.3553       55.71994  496.3427       55.63022      2.311718       1.704153  
1 1 1 3   17 3  o 12.82709  0.5187790     178.9264       17.44591  150.7884       20.12617      1.123213       1.037558  
1 1 1 3   17 4  o 3.456506  0.2757448     11.00377       2.880162  12.89675       2.453813      -0.2889285     0.5514896 
1 1 1 3   17 5  o 19.78723  0.7394197     423.5822       41.35546  370.8289       41.01845      1.335781       1.478839  
1 1 1 3   17 6  o 30.40991  1.189960      1010.445       102.0210  907.7708       101.7073      1.691531       2.379921  
1 1 1 3   17 7  o 6.913812  0.3182740     50.83905       6.102030  45.16447       6.269199      0.4142842      0.6365480 
1 1 1 3   17 8  o 15.26377  0.6107856     256.0047       26.24735  216.1287       26.17345      1.312110       1.221571  
1 1 1 3   17 9  o 12.13679  0.4968649     160.0329       16.93816  137.6436       16.97628      0.9274058      0.9937297 
1 1 1 3   17 10 o 9.912395  0.4300711     100.9016       11.90688  97.80731       12.09218      0.1585146      0.8601422 
1 1 1 3   17 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   17 12 o 5.167164  0.4580610     33.02224       6.225316  21.14868       6.646764      1.195101       0.9161219 
1 1 1 3   17 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   17 14 o 5.662948  0.5084143     39.90388       7.340703  25.75862       8.326523      1.324230       1.016829  
1 1 1 3   17 15 o 3.354941  0.6985646     7.540753       6.738885  17.47588       7.903631      -1.186305      1.397129  
1 1 1 3   17 16 o 9.399981  0.5015267     101.3712       12.89052  84.82943       13.52843      0.9159088      1.003053  
1 1 1 3   17 17 o 3.484780  0.7678018     11.67724       7.822802  18.25311       9.131648      -0.6911834     1.535604  
1 1 1 3   17 18 o 7.633067  0.5650405     71.09657       11.45564  61.11317       12.57253      0.7724062      1.130081  
1 1 1 3   17 19 o 2.433691  0.7492776     3.364713       8.975586  7.715672       10.47466      -0.3337377     1.498555  
1 1 1 3   17 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   17 21 o 2.245351  0.7421573     12.05557       11.17338  3.702533       12.81890      0.3056825      1.484315  
1 1 1 3   19 0  o 20.65853  0.7899271     459.5326       45.97190  409.4632       45.91082      1.216238       1.579854  
1 1 1 3   19 1  o 17.55985  0.6533414     350.4417       32.22990  274.7700       32.15875      2.164643       1.306683  
1 1 1 3   19 2  o 8.684677  0.3191278     86.51004       7.810309  65.31159       7.725211      1.225750       0.6382555 
1 1 1 3   19 3  o 7.725500  0.3064590     57.00596       6.642657  62.94121       6.686944      -0.3853734     0.6129181 
1 1 1 3   19 4  o 5.980031  0.2883954     42.51673       4.481372  29.27157       5.059818      1.125057       0.5767908 
1 1 1 3   19 5  o 22.79377  0.8204941     566.0361       52.74471  497.2799       52.58112      1.512215       1.640988  
1 1 1 3   19 6  f 6.648271  0.3234389     46.66902       6.049744  42.36937       6.030895      0.3250699      0.6468778 
1 1 1 3   19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   19 8  o 5.262813  0.3764975     31.30867       5.307647  24.41471       5.705838      0.6741355      0.7529950 
1 1 1 3   19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   19 10 o 3.513620  0.5516741     15.51698       5.261721  9.908867       5.607102      0.7798150      1.103348  
1 1 1 3   19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   19 12 o 8.027295  0.4546919     74.05706       9.934390  57.51799       10.44189      1.053760       0.9093838 
1 1 1 3   19 13 o 8.915236  0.4741397     88.39194       11.61835  75.52582       12.08520      0.7410100      0.9482793 
1 1 1 3   19 14 o 13.81099  0.6311152     229.5898       24.26906  180.0320       24.52336      1.818560       1.262230  
1 1 1 3   19 15 o 5.879642  0.5818951     42.63158       8.797441  31.72943       10.00036      1.037480       1.163790  
1 1 1 3   19 16 o 2.792109  0.7720821     6.528916       8.122213  9.738787       9.707201      -0.3482485     1.544164  
1 1 1 3   19 17 o 2.315504  0.7111407     8.465631       8.705555  -7.738508      10.46010      0.7469499      1.422281  
1 1 1 3   19 18 o 7.144164  0.6675410     62.96671       12.41753  69.89275       14.04215      -0.2272933     1.335082  
1 1 1 3   19 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   19 20 o 2.846604  0.8700410     24.85018       12.14635  21.48923       14.18195      0.3487796      1.740082  
1 1 1 3   21 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   21 2  o 2.321100  0.5605563     0.5858392      4.687478  8.471322       4.962565      -1.032913      1.121113  
1 1 1 3   21 3  o 2.382268  0.6226723     4.642612       5.231845  4.431141       5.920340      -0.5516196E-01 1.245345  
1 1 1 3   21 4  o 12.40652  0.5686703     178.4904       18.24395  133.1977       21.10473      1.879325       1.137341  
1 1 1 3   21 5  o 13.85790  0.5281643     207.0420       22.31341  185.2537       19.18752      0.7513680      1.056329  
1 1 1 3   21 6  o 9.005816  0.4317630     94.07214       11.85322  71.52663       10.04797      1.234544       0.8635260 
1 1 1 3   21 7  o 8.522882  0.4009615     90.55264       9.536648  57.63643       9.372690      1.944824       0.8019231 
1 1 1 3   21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   21 9  o 6.649186  0.4314888     43.26187       7.773934  47.42516       8.285651      -0.3052486     0.8629776 
1 1 1 3   21 10 o 7.275463  0.4432054     62.14012       8.766136  46.04272       9.161036      1.131297       0.8864107 
1 1 1 3   21 11 o 9.874986  0.4881049     113.3614       13.45223  88.45486       13.51397      1.273421       0.9762098 
1 1 1 3   21 12 o 4.637650  0.6160393     37.33030       7.552621  9.482608       8.698789      2.900989       1.232079  
1 1 1 3   21 13 o 3.028689  0.7588230     9.140714       7.590634  10.62116       8.760051      -0.1963577     1.517646  
1 1 1 3   21 14 o 2.969944  0.7828585     11.23099       8.332556  7.231312       9.647769      0.2998701      1.565717  
1 1 1 3   21 15 o 1.924200  0.6324908     3.491002       9.157637  -23.73210      10.46945      0.8557532      1.264982  
1 1 1 3   21 16 o 2.690098  0.7881213     -1.293612      10.17214  17.74201       11.50823      -1.221720      1.576243  
1 1 1 3   21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   21 18 o 2.363121  0.7685496     13.38565       11.33396  -0.7569174     13.69978      0.5142372      1.537099  
1 1 1 3   21 19 o 2.760442  0.8722830     21.34927       12.56472  31.25426       15.52373      -0.1854276     1.744566  
1 1 1 3   23 0  o 1.985676  0.4999084     7.641764       4.855781  -0.8910230     3.307507      1.329862       0.9998167 
1 1 1 3   23 1  o 11.50188  0.4258334     156.0937       13.77310  112.9914       13.61701      1.881100       0.8516667 
1 1 1 3   23 2  o 2.475034  0.6053945     10.46333       5.860703  -2.245018      6.168533      1.300486       1.210789  
1 1 1 3   23 3  o 8.796901  0.8142411     79.86426       14.16306  ?              ?             ?              ?         
1 1 1 3   23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   23 5  o 16.00091  1.538478      308.7083       66.83455  311.2119       68.86275      0.2325319E-01  3.076956  
1 1 1 3   23 6  o 3.736919  0.5144511     17.36432       4.777815  10.59850       6.292557      0.9311430      1.028902  
1 1 1 3   23 7  o 10.10246  0.4692892     109.4022       13.31763  100.3363       13.33587      0.4514809      0.9385784 
1 1 1 3   23 8  o 7.436919  0.4423297     65.47428       9.187783  48.41973       9.118967      1.158626       0.8846594 
1 1 1 3   23 9  o 5.500707  0.5153271     39.94476       7.215163  23.11354       7.995904      1.616908       1.030654  
1 1 1 3   23 10 o 10.39693  0.5280756     136.1995       15.18209  92.89696       15.25396      2.105809       1.056151  
1 1 1 3   23 11 o 3.547697  0.6346673     25.35705       7.520376  -1.466985      8.863338      2.588614       1.269335  
1 1 1 3   23 12 o 5.260919  0.6492450     34.49189       8.816483  28.14276       9.964377      0.7170716      1.298490  
1 1 1 3   23 13 o 6.908456  0.5903996     53.46197       10.77686  56.53530       11.91221      -0.1198045     1.180799  
1 1 1 3   23 14 o 5.004759  0.7609255     43.67661       10.34744  21.87105       12.03299      2.246152       1.521851  
1 1 1 3   23 15 o 3.164305  0.8697231     10.16639       10.59542  25.10545       12.62726      -1.004072      1.739446  
1 1 1 3   23 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   25 0  o 6.721907  0.3474549     61.35899       7.427871  32.92525       5.635054      2.090523       0.6949099 
1 1 1 3   25 1  o 4.869358  0.4913925     31.74831       4.922718  16.02510       8.005326      1.772295       0.9827850 
1 1 1 3   25 2  o 5.405452  0.6352081     48.76735       8.800100  15.11527       9.401793      3.153184       1.270416  
1 1 1 3   25 3  o 4.374177  0.7058068     35.99185       9.689516  4.571410       10.06052      2.999058       1.411614  
1 1 1 3   25 4  o 6.690506  0.7363625     70.77688       12.84467  28.34338       13.03087      3.260869       1.472725  
1 1 1 3   25 5  o 5.808759  0.7771506     56.51549       12.28260  19.28079       12.94578      3.166589       1.554301  
1 1 1 3   25 6  o 3.539103  0.4521914     16.29115       4.176748  9.650009       4.636686      0.9784294      0.9043829 
1 1 1 3   25 7  o 4.365376  0.5315640     21.71919       6.185231  19.40610       6.476313      0.2879048      1.063128  
1 1 1 3   25 8  o 9.304838  0.4934919     102.0116       12.87409  81.97680       12.81577      1.083486       0.9869837 
1 1 1 3   25 9  o 5.684719  0.5541660     43.31614       8.582426  27.40803       8.473183      1.436187       1.108332  
1 1 1 3   25 10 o 2.601729  0.7037770     12.23831       7.640268  -2.168238      8.775837      1.075186       1.407554  
1 1 1 3   25 11 o 2.722891  0.7659003     10.35548       8.337204  4.676612       9.899244      0.3724909      1.531801  
1 1 1 3   25 12 o 5.515502  0.7600884     38.75465       10.91804  42.69698       12.01266      -0.1887174     1.520177  
1 1 1 3   25 13 o 4.027297  0.9097721     25.25363       11.08864  30.46549       12.38249      -0.2990779     1.819544  
1 1 1 3   25 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   27 0  o 7.001995  0.4066438     45.49815       7.474938  57.60122       8.497166      -0.8273313     0.8132876 
1 1 1 3   27 1  o 6.495783  0.5899673     38.05682       10.02226  54.57562       10.97743      -1.241224      1.179935  
1 1 1 3   27 2  o 2.449671  0.7304961     6.279402       8.413642  -2.366201      9.557922      0.4645705      1.460992  
1 1 1 3   27 3  o 4.253784  0.8599964     28.12912       11.26419  16.63303       10.99659      1.099395       1.719993  
1 1 1 3   27 4  o 3.843404  0.9217579     12.60288       11.56781  25.80602       13.01625      -1.097184      1.843516  
1 1 1 3   27 5  f 3.055471  0.8946983     15.56119       12.86092  -0.8953887     14.00532      0.8730378      1.789397  
1 1 1 3   27 6  o 2.690892  0.8400546     14.35173       14.13925  -15.76241      14.55867      1.217165       1.680109  
1 1 1 3   27 7  o 4.336161  1.076100      39.13909       16.56909  20.64233       18.22574      1.308214       2.152201  
1 1 1 3   27 8  o 2.107900  0.7441710     -34.92414      17.72869  -22.13469      18.41982      -0.2525207     1.488342  
1 1 1 3   27 9  o 2.858598  0.9437060     3.372114       18.40510  9.745971       19.27310      -0.2175622     1.887412  
1 1 1 3   27 10 o 3.134130  1.001720      7.315612       20.52496  30.15015       19.23460      -0.7999110     2.003440  
1 1 1 3   27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   27 12 o 2.298400  0.8176264     0.5364413      24.05517  -13.47863      23.80457      0.1742440      1.635253  
1 1 1 3   29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 6  o 2.311615  0.8008977     16.97740       21.30125  -40.53205      19.13417      1.108038       1.601795  
1 1 1 3   29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 3   29 9  o 2.097775  0.6947153     5.386077       10.09407  -0.8995646     10.78806      0.2236124      1.389431  
1 1 1 3   31 0  o 2.429021  0.5433264     0.1553629      5.415971  13.65141       4.991823      -1.553776      1.086653  
1 1 1 3   31 1  o 1.958563  0.6699009     -3.748433      10.16164  -2.795200      12.62818      -0.1652497     1.339802  
1 1 1 4   0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   0  5  o 13.49075  1.570254      190.0938       40.87165  190.0938       40.87165      ?              ?         
1 1 1 4   0  6  o 30.97465  2.456860      990.4204       149.9328  990.4204       149.9328      ?              ?         
1 1 1 4   0  7  o 24.43764  1.923686      614.3970       92.64204  614.3970       92.64204      ?              ?         
1 1 1 4   0  8  o 7.318913  0.3965448     54.06907       5.765357  54.06907       5.765357      ?              ?         
1 1 1 4   0  9  o 6.569537  0.3723988     43.60688       4.856727  43.60688       4.856727      ?              ?         
1 1 1 4   0  10 o 15.38619  0.8360695     239.9845       25.55308  239.9845       25.55308      ?              ?         
1 1 1 4   0  11 o 16.05005  0.8609842     261.2094       27.45481  261.2094       27.45481      ?              ?         
1 1 1 4   0  12 o 32.08710  1.784953      1060.081       113.7314  1060.081       113.7314      ?              ?         
1 1 1 4   0  13 o 1.262350  0.6702321     2.296463       2.280920  2.296463       2.280920      ?              ?         
1 1 1 4   0  14 o 47.17886  2.662265      2336.668       249.3615  2336.668       249.3615      ?              ?         
1 1 1 4   0  15 o 10.41593  0.5853817     109.7710       12.10583  109.7710       12.10583      ?              ?         
1 1 1 4   0  16 o 3.607585  0.5812868     14.02061       3.867759  14.02061       3.867759      ?              ?         
1 1 1 4   0  17 o 15.78599  0.8585116     253.5898       26.92047  253.5898       26.92047      ?              ?         
1 1 1 4   0  18 o 7.094879  0.5303988     51.40772       7.427261  51.40772       7.427261      ?              ?         
1 1 1 4   0  19 o 7.972021  0.5773540     65.06011       9.092102  65.06011       9.092102      ?              ?         
1 1 1 4   0  20 o 1.830445  1.031611      4.748984       5.754462  4.748984       5.754462      ?              ?         
1 1 1 4   0  21 o 12.68181  0.7365490     167.5721       18.53607  167.5721       18.53607      ?              ?         
1 1 1 4   0  22 o 1.862033  1.081587      5.194845       6.605805  5.194845       6.605805      ?              ?         
1 1 1 4   0  23 o 4.565611  0.9894666     25.80358       7.921559  25.80358       7.921559      ?              ?         
1 1 1 4   0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   0  25 o 2.694756  1.362023      17.19547       9.107151  17.19547       9.107151      ?              ?         
1 1 1 4   2  0  o 26.77392  0.9962484     721.8342       75.17371  724.6768       75.18285      -0.5320400E-01 1.992497  
1 1 1 4   2  1  o 22.24452  0.7910224     475.9857       49.56144  519.1268       49.60209      -0.9727536     1.582045  
1 1 1 4   2  2  o 29.35332  1.037832      843.2526       85.83038  895.1166       85.90178      -0.8857998     2.075663  
1 1 1 4   2  3  o 67.15768  6.932259      5801.177       1277.812  6106.207       1276.959      -2.337106      13.86452  
1 1 1 4   2  4  o 15.35822  0.7459790     235.5941       25.45696  246.9996       50.90489      -0.2461502     1.491958  
1 1 1 4   2  5  o 2.023408  0.2574142     2.301752       1.452242  6.063928       1.393037      -0.9370150     0.5148284 
1 1 1 4   2  6  o 35.97419  1.939459      1158.196       194.4079  1530.429       194.9305      -5.221330      3.878918  
1 1 1 4   2  7  o 36.88254  1.947071      1183.320       199.1299  1672.070       200.1575      -6.683279      3.894143  
1 1 1 4   2  8  o 43.07576  2.410413      1687.439       287.5067  2384.475       288.6034      -8.167333      4.820827  
1 1 1 4   2  9  o 24.87450  1.366925      565.5169       94.84064  728.7717       95.03584      -3.312195      2.733850  
1 1 1 4   2  10 o 15.27556  0.8365106     195.1320       35.39938  283.3685       35.50962      -2.918804      1.673021  
1 1 1 4   2  11 o 24.37241  1.395021      537.4281       94.66831  720.5201       94.65587      -3.799462      2.790041  
1 1 1 4   2  12 o 16.92766  0.9192883     253.8850       43.37216  333.1808       43.49802      -2.364305      1.838577  
1 1 1 4   2  13 o 19.47446  1.057306      328.4399       57.20789  452.1424       57.45356      -3.206604      2.114612  
1 1 1 4   2  14 f 17.69334  0.9819133     291.7337       48.56337  350.1902       48.68347      -1.665742      1.963827  
1 1 1 4   2  15 o 15.91839  0.7046147     251.7778       38.59821  261.0414       27.34344      -0.4008955     1.409229  
1 1 1 4   2  16 o 6.709500  0.3293853     41.70340       6.176651  48.94404       6.224976      -0.5428035     0.6587706 
1 1 1 4   2  17 o 7.659378  0.3604237     58.09085       7.753961  60.47507       7.771196      -0.1561928     0.7208474 
1 1 1 4   2  18 o 14.41599  0.5767120     209.6571       23.39119  216.6700       23.44244      -0.2432370     1.153424  
1 1 1 4   2  19 o 6.441759  0.3983101     43.08933       7.156593  41.82898       7.210790      0.9979289E-01  0.7966202 
1 1 1 4   2  20 o 5.486403  0.4490547     34.50453       6.784708  27.95656       6.838508      0.6106402      0.8981094 
1 1 1 4   2  21 o 8.170330  0.4305681     69.40438       9.845066  70.81015       9.911479      -0.8374593E-01 0.8611362 
1 1 1 4   2  22 o 1.822737  0.5598794     -11.49724      6.523519  5.803946       6.669688      -1.063867      1.119759  
1 1 1 4   2  23 o 3.099930  0.7280379     12.41356       7.379879  13.90795       7.541484      -0.1592792     1.456076  
1 1 1 4   2  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   2  25 o 2.284083  0.7100981     7.010519       8.925241  13.40721       9.051822      -0.3788247     1.420196  
1 1 1 4   4  0  o 36.09711  1.452547      1447.210       137.1358  1184.972       158.0618      3.750228       2.905093  
1 1 1 4   4  1  o 23.02726  0.7855842     564.2004       51.00354  501.8981       50.93305      1.357134       1.571168  
1 1 1 4   4  2  o 43.86860  1.636566      1928.111       218.3871  1991.658       189.3471      -0.8605407     3.273131  
1 1 1 4   4  3  f 42.70548  1.527368      1829.555       183.8879  1887.546       183.8592      -0.6809406     3.054736  
1 1 1 4   4  4  o 35.52414  1.299509      1212.252       129.9019  1349.097       130.1429      -1.932097      2.599018  
1 1 1 4   4  5  o 32.65799  1.184588      1038.213       108.9691  1125.648       109.0331      -1.342810      2.369175  
1 1 1 4   4  6  o 40.60207  1.476988      1616.411       168.8799  1763.963       169.0185      -1.822394      2.953975  
1 1 1 4   4  7  f 9.248782  0.3443251     76.57545       8.925992  95.13821       8.967051      -1.008046      0.6886502 
1 1 1 4   4  8  o 16.61007  0.6037153     258.0920       28.18195  298.3692       28.27431      -1.216749      1.207431  
1 1 1 4   4  9  o 12.02997  0.4512675     135.4383       15.25223  155.9611       15.30687      -0.8561948     0.9025349 
1 1 1 4   4  10 o 4.139143  0.2408236     16.28170       2.589998  18.47295       3.039421      -0.2602004     0.4816472 
1 1 1 4   4  11 o 19.78344  0.7606917     393.0576       42.42516  404.5408       42.37822      -0.2915536     1.521383  
1 1 1 4   4  12 o 8.925798  0.3553823     77.91039       8.918298  82.35507       8.948391      -0.2496748     0.7107646 
1 1 1 4   4  13 o 5.120072  0.2609815     27.62430       3.715261  25.04199       3.788300      0.2545824      0.5219631 
1 1 1 4   4  14 f 39.70068  1.504811      1632.276       168.2368  1700.466       168.4239      -0.8589414     3.009622  
1 1 1 4   4  15 o 8.597656  0.4432560     58.44655       9.554482  92.89623       11.81081      -1.994978      0.8865120 
1 1 1 4   4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   4  19 o 9.825462  0.6324528     83.96909       16.75668  118.9989       17.72712      -1.777104      1.264906  
1 1 1 4   4  20 o 7.413418  0.6010498     41.80046       11.30091  77.12592       12.85437      -2.365241      1.202100  
1 1 1 4   4  21 o 3.182193  0.7774810     14.21792       8.007129  6.813057       10.03252      0.6289024      1.554962  
1 1 1 4   4  22 o 3.806895  0.8206118     21.41623       8.929971  15.94891       11.46312      0.6539877      1.641224  
1 1 1 4   4  23 o 1.795258  0.6214814     -12.70594      9.251919  -8.659396      11.99084      -0.3664083     1.242963  
1 1 1 4   4  24 o 2.282205  0.7193353     0.9097788      10.27892  10.30888       9.261837      -0.4674362     1.438671  
1 1 1 4   4  25 o 2.129134  0.6874210     3.751757       9.212575  13.00100       9.591643      -0.4515042     1.374842  
1 1 1 4   6  0  o 35.59290  1.430218      1295.776       154.8778  1286.141       134.1295      0.3940658E-01  2.860437  
1 1 1 4   6  1  o 7.518058  0.2866462     58.45063       6.072680  54.92430       6.068982      0.2353009      0.5732924 
1 1 1 4   6  2  o 53.00573  1.941962      3080.427       289.9546  2713.559       289.6934      3.472739       3.883924  
1 1 1 4   6  3  o 14.48945  0.5123422     221.7441       20.93377  199.6913       20.89534      0.7634761      1.024684  
1 1 1 4   6  4  o 30.91632  1.139870      891.8539       99.05643  1046.040       99.26506      -2.503246      2.279740  
1 1 1 4   6  5  o 49.76476  1.837678      2486.718       257.6245  2661.061       257.7105      -1.756761      3.675356  
1 1 1 4   6  6  o 23.97353  0.8857036     585.4013       59.86750  579.4667       59.82904      0.1239106      1.771407  
1 1 1 4   6  7  o 5.500930  0.2279326     30.49924       3.522269  30.28434       3.539464      0.1972091E-01  0.4558652 
1 1 1 4   6  8  o 16.45223  0.6000375     260.6549       27.77622  286.3295       27.84355      -0.7825406     1.200075  
1 1 1 4   6  9  o 13.06546  0.4897048     161.5820       17.97505  182.7181       18.05232      -0.8115128     0.9794095 
1 1 1 4   6  10 o 19.82685  0.7371705     369.3128       41.07047  430.4532       41.18731      -1.547368      1.474341  
1 1 1 4   6  11 o 11.38064  0.4361563     127.6151       13.97621  133.3783       13.99306      -0.2539071     0.8723127 
1 1 1 4   6  12 o 19.43986  0.7002379     361.8452       38.29403  403.6204       38.39255      -1.077626      1.400476  
1 1 1 4   6  13 o 23.22566  0.8736628     522.9839       57.08698  576.3525       57.20568      -1.152225      1.747326  
1 1 1 4   6  14 o 12.58072  0.4707678     155.4784       16.65324  163.6821       16.72319      -0.3266000     0.9415356 
1 1 1 4   6  15 o 23.35439  0.8854127     542.1710       58.19258  579.5776       58.30979      -0.8022047     1.770825  
1 1 1 4   6  16 o 20.48936  0.7916255     433.8380       45.68546  431.1671       45.71914      0.6583494E-01  1.583251  
1 1 1 4   6  17 o 14.86697  0.5874912     230.5197       24.57884  221.7523       24.62575      0.2965291      1.174982  
1 1 1 4   6  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   6  19 o 14.31351  0.5727228     221.0112       23.05467  206.7912       23.11119      0.5002177      1.145446  
1 1 1 4   6  20 o 3.850453  0.6032976     14.99028       6.195327  17.86306       6.605994      -0.3476059     1.206595  
1 1 1 4   6  21 o 2.006969  0.5993418     -4.930161      6.260484  5.925965       6.665774      -0.8705921     1.198684  
1 1 1 4   6  22 o 3.722605  0.6619850     23.18062       7.215379  10.38745       7.697554      1.523420       1.323970  
1 1 1 4   6  23 o 1.737716  0.5761418     2.692669       7.568735  -13.30846      8.120455      0.6204087      1.152284  
1 1 1 4   6  24 o 2.745852  0.7564843     19.68424       8.621377  5.248115       11.20211      1.093142       1.512969  
1 1 1 4   8  0  o 15.47972  0.5346193     262.9036       23.29959  218.3786       23.26422      1.443776       1.069239  
1 1 1 4   8  1  o 20.87922  0.8140650     453.4189       44.77190  422.5076       51.70174      0.7740638      1.628130  
1 1 1 4   8  2  o 24.35295  1.034026      669.4138       70.71829  532.4471       70.54705      2.828384       2.068052  
1 1 1 4   8  3  o 20.48231  0.7331606     438.0910       42.33271  407.5924       42.30457      0.7467260      1.466321  
1 1 1 4   8  4  o 21.91253  0.8218950     490.5559       50.75287  480.7300       50.75741      0.2248864      1.643790  
1 1 1 4   8  5  o 18.64789  0.6701581     351.0313       35.22167  351.0957       35.24040      -0.1634413E-02 1.340316  
1 1 1 4   8  6  o 2.355571  0.2244144     5.578566       1.437433  5.733073       1.477532      -0.3213871E-01 0.4488288 
1 1 1 4   8  7  o 14.93718  0.5718264     226.0605       24.06078  225.1257       24.07682      0.3149822E-01  1.143653  
1 1 1 4   8  8  o 6.975972  0.2835905     50.99553       5.565314  46.77449       5.572199      0.3038484      0.5671811 
1 1 1 4   8  9  o 15.51892  0.6243589     225.2980       25.38170  265.5812       29.40640      -1.266692      1.248718  
1 1 1 4   8  10 o 21.27521  0.7945472     436.2477       47.56231  485.6770       47.64451      -1.165371      1.589094  
1 1 1 4   8  11 o 4.148500  0.2550789     16.33815       2.870275  18.42747       3.056467      -0.2513865     0.5101578 
1 1 1 4   8  12 o 12.33325  0.4691680     151.5419       16.28255  155.0342       16.32802      -0.1417336     0.9383361 
1 1 1 4   8  13 o 13.99311  0.5406361     195.3217       21.28819  200.2307       21.34186      -0.1755896     1.081272  
1 1 1 4   8  14 o 24.74806  0.9442036     604.3494       65.74062  655.8337       65.88452      -1.042333      1.888407  
1 1 1 4   8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   8  16 o 7.596260  0.6606391     49.17960       11.34899  74.18028       17.31831      -1.532713      1.321278  
1 1 1 4   8  17 o 7.666175  0.3866019     63.95243       8.209332  54.97311       8.422523      0.5933495      0.7732037 
1 1 1 4   8  18 o 11.04631  0.4784251     131.7158       14.80958  118.4468       14.91768      0.6058425      0.9568501 
1 1 1 4   8  19 f 9.222693  0.4438657     92.32814       11.37791  83.31728       11.62567      0.4986416      0.8877314 
1 1 1 4   8  20 o 9.429795  0.4640734     95.89936       12.16139  91.48762       12.43778      0.2469111      0.9281469 
1 1 1 4   8  21 o 2.699658  0.6814654     11.70012       6.751588  3.384793       7.214189      0.8324851      1.362931  
1 1 1 4   8  22 o 2.460262  0.6964958     3.497502       7.202752  9.734080       7.837747      -0.5646007     1.392992  
1 1 1 4   8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   8  24 o 1.969560  0.6493245     6.690152       8.697929  -1.842225      9.485147      0.3414652      1.298649  
1 1 1 4   10 0  o 23.60052  1.048991      593.1879       85.25553  554.5870       60.28316      0.6418724      2.097982  
1 1 1 4   10 1  o 18.81256  0.6938316     393.3630       36.70789  320.7615       36.66068      1.938248       1.387663  
1 1 1 4   10 2  o 10.31099  0.3980920     128.4713       12.39964  87.08038       10.66376      2.005911       0.7961841 
1 1 1 4   10 3  o 41.61007  1.596113      1861.594       187.1097  1766.598       187.0838      1.145040       3.192225  
1 1 1 4   10 4  o 8.893784  0.3753608     87.96246       8.722665  70.15545       10.03610      1.018447       0.7507216 
1 1 1 4   10 5  o 29.28541  1.082038      889.4393       89.31709  879.2422       89.31246      0.1745389      2.164076  
1 1 1 4   10 6  f 16.67409  0.6379843     289.8437       29.97777  273.8197       29.95780      0.4819570      1.275969  
1 1 1 4   10 7  o 12.02796  0.4676478     144.1845       15.83496  147.8456       15.85961      -0.1524941     0.9352956 
1 1 1 4   10 8  o 18.94053  0.7787680     336.7600       38.65279  398.8745       44.71983      -1.585464      1.557536  
1 1 1 4   10 9  o 12.27315  0.4736020     152.2196       16.36925  151.6958       16.38705      0.2152458E-01  0.9472041 
1 1 1 4   10 10 o 34.35427  1.387222      1173.009       144.5440  1287.466       125.5251      -1.916044      2.774444  
1 1 1 4   10 11 o 33.55449  1.257946      1108.262       118.7369  1226.913       118.9997      -1.771871      2.515892  
1 1 1 4   10 12 o 2.924743  0.3752589     10.36270       2.872175  6.846104       3.160941      0.6218905      0.7505178 
1 1 1 4   10 13 o 7.260027  0.3242178     49.02221       6.491467  57.09869       6.739141      -0.5570875     0.6484355 
1 1 1 4   10 14 o 27.40894  1.047262      781.0403       80.84829  785.8309       80.92415      -0.8654469E-01 2.094524  
1 1 1 4   10 15 o 21.05329  0.8099434     460.5129       48.01207  455.7816       48.08403      0.1137717      1.619887  
1 1 1 4   10 16 o 8.460005  0.4007451     74.06969       9.400218  71.01494       9.670024      0.1849740      0.8014901 
1 1 1 4   10 17 o 2.116002  0.6035740     2.769889       5.252779  1.542703       5.944187      0.2107522E-01  1.207148  
1 1 1 4   10 18 o 2.040020  0.6045133     3.036241       5.724427  -1.582695      6.280067      0.3083274      1.209027  
1 1 1 4   10 19 o 5.200978  0.5165429     22.84869       7.021411  34.73787       7.594138      -1.146886      1.033086  
1 1 1 4   10 20 o 4.731980  0.5795173     20.76338       7.220263  29.08183       7.668575      -0.8682627     1.159035  
1 1 1 4   10 21 o 5.448522  0.5764880     34.88332       8.249920  33.95592       9.025242      0.1685426      1.152976  
1 1 1 4   10 22 o 2.458953  0.7155611     8.787783       7.755922  4.901246       8.513129      0.2741633      1.431122  
1 1 1 4   10 23 o 2.310818  0.7157801     8.973490       8.590446  4.984651       9.517465      0.2243106      1.431560  
1 1 1 4   10 24 o 2.451621  0.7519307     8.323593       9.573627  22.78397       10.63923      -0.7717668     1.503861  
1 1 1 4   12 0  o 13.68909  0.5221795     207.2281       21.66608  172.7636       18.73564      1.241799       1.044359  
1 1 1 4   12 1  o 17.17643  0.6300925     350.8178       30.24856  248.4475       30.17148      2.994475       1.260185  
1 1 1 4   12 2  o 15.28775  0.5571535     270.5505       23.89074  202.4312       23.81787      2.238204       1.114307  
1 1 1 4   12 3  o 18.02351  0.7304106     366.1045       34.33096  291.1829       39.57222      2.142612       1.460821  
1 1 1 4   12 4  o 14.75448  0.5526528     232.1329       22.96821  207.7506       22.95428      0.8293769      1.105306  
1 1 1 4   12 5  o 13.89254  0.5265351     212.0267       20.59669  177.7073       20.54475      1.240475       1.053070  
1 1 1 4   12 6  o 8.847481  0.3507966     84.11214       8.733763  73.24766       8.730324      0.6168000      0.7015932 
1 1 1 4   12 7  o 19.89578  0.8289314     395.1194       43.42706  416.5020       50.14299      -0.4747100     1.657863  
1 1 1 4   12 8  o 5.233078  0.2543671     25.59923       3.669734  29.49381       3.806008      -0.3730226     0.5087342 
1 1 1 4   12 9  o 20.08899  0.7565952     411.5150       42.86328  408.4167       42.80598      0.7690787E-01  1.513190  
1 1 1 4   12 10 o 25.49710  0.9442384     671.1063       67.88673  658.6368       67.82451      0.2446842      1.888477  
1 1 1 4   12 11 o 30.81983  1.167917      949.8300       101.3286  1017.847       101.4639      -1.105761      2.335834  
1 1 1 4   12 12 o 8.073221  0.3542940     66.33559       7.932150  64.94550       8.172971      0.8828726E-01  0.7085879 
1 1 1 4   12 13 o 12.39195  0.4936189     154.0435       17.15402  156.7809       17.30847      -0.1094676     0.9872379 
1 1 1 4   12 14 o 8.222422  0.3856350     70.36330       8.773902  66.15505       9.062959      0.2603236      0.7712700 
1 1 1 4   12 15 o 5.620688  0.4019855     33.74638       6.071873  30.32791       6.545406      0.3172010      0.8039711 
1 1 1 4   12 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   12 17 o 12.46798  0.5297597     170.9420       18.51591  150.8293       18.63303      0.8137047      1.059519  
1 1 1 4   12 18 o 2.391502  0.5963088     11.73771       6.255434  -8.227833      6.974520      1.630715       1.192618  
1 1 1 4   12 19 o 7.497010  0.4750415     68.90742       9.678266  50.09211       10.06101      1.293515       0.9500830 
1 1 1 4   12 20 o 4.286553  0.6810372     20.74580       7.626063  24.01027       8.534963      -0.2862818     1.362074  
1 1 1 4   12 21 o 3.325393  0.7705933     15.79924       7.985526  15.37777       8.830845      0.9919792E-01  1.541187  
1 1 1 4   12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   12 23 o 2.082591  0.6845504     8.072030       9.270900  1.066479       10.67017      0.2657995      1.369101  
1 1 1 4   14 0  o 9.062067  0.3499339     96.33044       9.584404  69.97297       8.271335      1.450207       0.6998678 
1 1 1 4   14 1  o 18.41248  0.6563901     403.0445       33.78628  287.1667       33.71569      3.161184       1.312780  
1 1 1 4   14 2  o 31.72395  1.288040      1248.342       104.6954  864.3884       120.4283      6.320877       2.576080  
1 1 1 4   14 3  o 5.577142  0.2221603     37.72850       3.483497  25.09881       3.410109      1.138286       0.4443205 
1 1 1 4   14 4  o 4.532260  0.2160584     23.61848       2.748981  17.66932       2.724960      0.6612297      0.4321169 
1 1 1 4   14 5  o 10.80444  0.4118137     132.9955       12.50119  102.1823       12.44810      1.432959       0.8236274 
1 1 1 4   14 6  o 19.45932  0.8031778     388.1813       41.17766  382.5806       47.52569      0.1981925      1.606356  
1 1 1 4   14 7  o 15.68813  0.5990800     255.4344       26.48227  242.0200       26.47268      0.4288819      1.198160  
1 1 1 4   14 8  o 14.19231  0.5585608     203.2802       22.34041  203.6228       22.32603      -0.1220080E-01 1.117122  
1 1 1 4   14 9  o 10.46761  0.4205051     109.6392       12.38125  111.1182       12.41562      -0.7066671E-01 0.8410102 
1 1 1 4   14 10 o 8.772598  0.3690272     88.69538       9.062787  66.31443       9.051623      1.283667       0.7380545 
1 1 1 4   14 11 o 20.39976  0.7881361     439.1518       45.29614  411.4214       45.27529      0.6818529      1.576272  
1 1 1 4   14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   14 13 o 6.542845  0.3676591     43.02415       6.538213  43.72804       6.979001      -0.4859235E-01 0.7353182 
1 1 1 4   14 14 o 10.86936  0.4687332     125.7363       14.20353  114.1734       14.46373      0.5380604      0.9374664 
1 1 1 4   14 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   14 16 o 2.314643  0.6347896     7.124012       5.974116  -2.101084      6.942121      0.7252688      1.269579  
1 1 1 4   14 17 o 4.384338  0.6038155     16.23262       6.757617  25.72987       7.670549      -1.052077      1.207631  
1 1 1 4   14 18 o 2.004267  0.6265448     2.159438       6.863771  -5.439704      7.594631      0.3828509      1.253090  
1 1 1 4   14 19 o 7.180479  0.5103101     52.88097       9.842424  60.91988       10.60607      -0.5102921     1.020620  
1 1 1 4   14 20 o 2.485779  0.7290121     6.507332       7.903553  5.506150       9.011684      0.1765593E-01  1.458024  
1 1 1 4   14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   14 22 o 2.108010  0.6951104     2.840406       9.597387  5.255725       10.75825      -0.1371809     1.390221  
1 1 1 4   16 0  o 14.82376  0.5589865     254.0663       25.06962  192.1947       21.64838      2.070255       1.117973  
1 1 1 4   16 1  o 13.82942  0.5138847     221.7853       19.91384  164.6094       19.87047      2.077386       1.027769  
1 1 1 4   16 2  o 7.683111  0.2967612     71.43721       6.362711  47.80854       6.318419      1.546082       0.5935223 
1 1 1 4   16 3  o 3.569260  0.2197444     17.66461       2.175282  8.568390       2.040829      1.290195       0.4394888 
1 1 1 4   16 4  o 11.71284  0.5162795     154.1741       15.72858  120.8726       18.19668      1.452779       1.032559  
1 1 1 4   16 5  o 9.666737  0.3705338     109.1580       10.03779  79.18226       9.987968      1.558534       0.7410675 
1 1 1 4   16 6  o 5.930111  0.2831544     40.37043       4.682365  30.30572       4.702478      0.8556930      0.5663088 
1 1 1 4   16 7  o 22.02476  0.8309435     520.7853       51.61613  467.2331       51.45010      1.219036       1.661887  
1 1 1 4   16 8  o 19.40088  0.7345043     405.6417       40.26432  359.3256       39.97063      1.195915       1.469009  
1 1 1 4   16 9  o 7.517466  0.3588706     68.40408       7.446229  45.82074       7.517408      1.515889       0.7177413 
1 1 1 4   16 10 o 4.834234  0.3417941     20.59353       4.371937  26.88197       4.824877      -0.6514220     0.6835883 
1 1 1 4   16 11 o 13.23109  0.5409213     190.6479       20.14322  164.5151       20.10997      0.9921041      1.081843  
1 1 1 4   16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   16 13 o 6.823765  0.4159283     53.46782       7.708663  40.78261       8.101963      0.9492041      0.8318565 
1 1 1 4   16 14 o 7.421107  0.4292931     58.29869       8.606311  53.97474       9.286344      0.3073534      0.8585863 
1 1 1 4   16 15 o 5.204602  0.5241858     30.75364       7.046738  25.36954       8.009508      0.5704752      1.048372  
1 1 1 4   16 16 o 7.004324  0.4808359     53.13310       9.010624  49.42680       9.842967      0.2994415      0.9616717 
1 1 1 4   16 17 o 4.067840  0.6649564     26.14673       7.681300  10.52040       8.352069      1.771209       1.329913  
1 1 1 4   16 18 o 4.062752  0.7350249     14.04182       7.943057  27.24686       9.382343      -1.364127      1.470050  
1 1 1 4   16 19 o 2.863948  0.7524511     2.345197       8.278929  19.00354       9.714693      -1.419166      1.504902  
1 1 1 4   16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   16 21 o 2.236607  0.7213506     11.40381       9.898513  -1.345478      11.49556      0.5264662      1.442701  
1 1 1 4   16 22 f 2.438568  0.7870809     14.01148       11.15790  22.56672       13.06548      -0.2634078     1.574162  
1 1 1 4   18 0  o 22.50357  1.001327      570.7662       76.85105  485.8902       54.25391      1.657656       2.002654  
1 1 1 4   18 1  f 13.88173  0.5066938     229.3954       19.64408  160.6410       19.59851      2.488609       1.013388  
1 1 1 4   18 2  o 18.52829  0.7401335     396.5887       35.49191  297.9928       41.01431      2.725943       1.480267  
1 1 1 4   18 3  o 21.57183  0.8800958     526.6226       49.44290  418.7113       57.11709      2.592323       1.760192  
1 1 1 4   18 4  o 10.85851  0.4408010     147.2747       14.48505  93.14317       12.33353      2.488932       0.8816019 
1 1 1 4   18 5  o 12.51788  0.4994062     161.3672       16.49929  154.1123       18.97220      0.3091484      0.9988124 
1 1 1 4   18 6  o 6.143443  0.3069588     42.76318       5.287580  33.15471       5.262922      0.7883090      0.6139176 
1 1 1 4   18 7  o 16.43240  0.6455384     299.1816       29.94070  249.3999       29.69692      1.519783       1.291077  
1 1 1 4   18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   18 9  o 13.52046  0.5392734     196.7319       20.54231  174.2171       20.49306      0.8357871      1.078547  
1 1 1 4   18 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   18 11 o 1.747944  0.5393057     -3.043804      4.715769  1.304134       5.728661      -0.5368742     1.078611  
1 1 1 4   18 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   18 13 o 2.380602  0.6611741     5.025534       6.177623  1.987955       7.020211      0.1881582      1.322348  
1 1 1 4   18 14 o 4.075576  0.6634223     15.42676       7.005363  21.39437       8.022261      -0.6736319     1.326845  
1 1 1 4   18 15 o 7.599477  0.4932768     66.26466       10.33685  55.04906       10.57355      0.7574044      0.9865535 
1 1 1 4   18 16 o 3.309590  0.7663751     13.81770       7.804725  11.46362       8.984439      0.2423843      1.532750  
1 1 1 4   18 17 o 7.397164  0.5492107     54.68602       10.69594  68.66910       11.92496      -0.8553559     1.098421  
1 1 1 4   18 18 o 2.596116  0.7649642     3.993689       8.627665  11.30673       10.36515      -0.5792795     1.529928  
1 1 1 4   18 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   18 20 o 3.596833  0.9005487     29.27019       10.87049  26.77334       12.76055      0.5192445      1.801097  
1 1 1 4   18 21 o 1.739163  0.6153639     -13.19290      11.46764  3.316244       13.75111      -0.4010920     1.230728  
1 1 1 4   20 0  o 6.445726  0.3469995     51.10384       6.904403  33.66812       5.640792      1.348188       0.6939991 
1 1 1 4   20 1  o 7.265467  0.3019543     62.59750       6.154288  43.92026       6.083596      1.292886       0.6039087 
1 1 1 4   20 2  o 24.81987  0.9480569     705.8322       66.10949  566.1862       66.02504      2.826290       1.896114  
1 1 1 4   20 3  o 18.44503  0.6650395     388.8506       34.48159  303.9978       34.36755      2.309627       1.330079  
1 1 1 4   20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   20 5  o 16.42001  1.364457      ?              ?         281.5948       44.40423      ?              ?         
1 1 1 4   20 6  o 9.327391  0.4261806     99.88912       11.16372  76.08287       11.08376      1.284486       0.8523612 
1 1 1 4   20 7  o 10.13109  0.5262203     116.5258       15.14074  92.43533       14.70251      1.192701       1.052441  
1 1 1 4   20 8  o 13.52858  0.5676289     208.3376       21.64842  165.4491       21.43600      1.591392       1.135258  
1 1 1 4   20 9  o 5.989441  0.4154893     43.16050       6.570459  29.42683       7.131969      1.180898       0.8309786 
1 1 1 4   20 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   20 11 o 5.194628  0.5091945     23.76007       6.852429  32.64117       7.639341      -0.8489921     1.018389  
1 1 1 4   20 12 o 8.949830  0.4906426     102.0766       11.99805  64.65239       12.16044      2.120158       0.9812852 
1 1 1 4   20 13 o 6.614253  0.5102385     43.13342       9.134694  49.39597       9.630863      -0.4593087     1.020477  
1 1 1 4   20 14 o 6.075964  0.5618745     42.75668       9.076826  36.92438       9.763115      0.5328708      1.123749  
1 1 1 4   20 15 o 6.650534  0.5921490     59.50434       10.23870  38.41366       11.07007      1.701882       1.184298  
1 1 1 4   20 16 o 2.025836  0.6557192     -11.93519      8.703311  5.219663       10.13440      -0.9302821     1.311438  
1 1 1 4   20 17 o 5.624544  0.7484890     61.68643       11.41110  24.50479       12.24200      3.329907       1.496978  
1 1 1 4   20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   20 19 o 2.669519  0.7998446     25.51125       11.31983  2.684161       13.39431      1.199053       1.599689  
1 1 1 4   22 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   22 3  o 15.58207  0.6359414     309.5441       25.14463  191.0999       28.74125      3.882349       1.271883  
1 1 1 4   22 4  o 20.00458  0.7601983     455.8918       42.92218  373.7060       42.54926      2.057299       1.520397  
1 1 1 4   22 5  o 1.230893  0.4033332     -3.738013      3.060364  -1.706983      3.783316      -0.3319071     0.8066664 
1 1 1 4   22 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   22 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   22 8  o 3.144180  0.5904287     14.46932       5.528074  5.648709       5.816824      1.172899       1.180857  
1 1 1 4   22 9  o 6.633555  0.4347594     46.00277       8.060703  44.70951       8.066525      0.9852898E-01  0.8695188 
1 1 1 4   22 10 o 4.664773  0.5809523     22.80347       7.058616  24.16362       7.759697      -0.1160781     1.161905  
1 1 1 4   22 11 o 6.645756  0.5147337     47.98495       9.279140  45.46290       9.764813      0.2133859      1.029467  
1 1 1 4   22 12 o 3.495862  0.7562003     13.44701       7.683861  15.12781       8.735472      -0.1788978     1.512401  
1 1 1 4   22 13 o 4.435352  0.7151421     27.90407       8.550912  17.67725       9.614126      1.167716       1.430284  
1 1 1 4   22 14 o 2.920174  0.7749603     3.720061       8.292145  17.35968       10.20167      -1.208681      1.549921  
1 1 1 4   22 15 o 2.149541  0.7007706     3.028395       9.395599  -8.630612      11.16842      0.3520916      1.401541  
1 1 1 4   22 16 f 5.597321  0.8242413     51.88732       12.21290  40.33017       13.59646      1.304734       1.648483  
1 1 1 4   22 17 o 4.125664  0.9152771     42.80467       12.39783  25.61507       13.85579      1.655437       1.830554  
1 1 1 4   24 0  o 3.829422  0.4247077     11.72674       4.342576  18.42698       4.471296      -0.8987522     0.8494153 
1 1 1 4   24 1  o 6.568610  0.3218242     47.49575       5.843725  39.68543       6.016101      0.6020691      0.6436484 
1 1 1 4   24 2  o 2.240682  0.6553563     2.827719       6.511209  0.4788109      7.109653      0.1150585      1.310713  
1 1 1 4   24 3  o 9.422597  0.6425778     109.3673       16.84062  76.36282       16.62134      1.773806       1.285156  
1 1 1 4   24 4  o 4.198094  0.8003138     15.53420       9.518386  23.33479       10.09369      -0.8135459     1.600628  
1 1 1 4   24 5  o 10.55961  0.5196047     132.1733       13.99870  97.33258       16.51637      1.735231       1.039209  
1 1 1 4   24 6  o 4.948598  0.4397802     32.04803       5.933392  18.72755       5.819046      1.380693       0.8795604 
1 1 1 4   24 7  o 5.324570  0.4982117     35.63613       6.992228  23.26324       7.429761      1.218713       0.9964234 
1 1 1 4   24 8  o 4.407700  0.5901977     26.93827       6.996886  14.60802       7.332666      1.429544       1.180395  
1 1 1 4   24 9  o 10.18188  0.5287651     128.8413       15.10747  92.23072       14.86245      1.803805       1.057530  
1 1 1 4   24 10 f 7.204046  0.5196252     66.17885       10.16617  45.29456       10.40756      1.492512       1.039250  
1 1 1 4   24 11 o 3.517359  0.7800249     16.12310       8.095442  14.29652       9.451911      0.2277606      1.560050  
1 1 1 4   24 12 o 3.326751  0.7994385     20.13535       9.198322  6.925700       10.44824      1.179954       1.598877  
1 1 1 4   24 13 o 6.661212  0.7012421     68.92857       11.97490  41.69088       13.02073      2.265003       1.402484  
1 1 1 4   24 14 o 2.378320  0.7591619     8.901677       10.53256  -2.829982      12.07032      0.4666050      1.518324  
1 1 1 4   24 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   26 0  o 3.562045  0.5651107     5.623461       5.582392  22.36465       6.347606      -2.128179      1.130221  
1 1 1 4   26 1  o 7.007495  0.4507660     60.34978       7.505816  40.62958       9.787899      1.523620       0.9015321 
1 1 1 4   26 2  o 2.112729  0.6722397     -2.867807      7.787058  -2.181171      9.143607      -0.2168593     1.344479  
1 1 1 4   26 3  o 3.415858  0.7725962     20.57669       9.271731  3.341084       9.578099      1.599367       1.545192  
1 1 1 4   26 4  o 4.247260  0.8718157     13.25112       11.50962  29.35579       11.75220      -1.486062      1.743631  
1 1 1 4   26 5  o 3.289474  0.8759710     -0.3087454     11.82473  21.26581       12.81556      -1.551434      1.751942  
1 1 1 4   26 6  o 9.393009  0.4419925     99.55183       11.64008  86.26210       11.67462      0.7135515      0.8839850 
1 1 1 4   26 7  o 10.44000  0.5397902     137.3743       15.69082  100.2861       15.68359      1.793085       1.079580  
1 1 1 4   26 8  f 4.248797  0.6685640     13.50120       7.496160  29.66604       8.542159      -1.744492      1.337128  
1 1 1 4   26 9  o 1.942819  0.6298105     3.060916       8.395509  -11.50910      8.562697      0.6778284      1.259621  
1 1 1 4   26 10 o 2.316103  0.7818738     -9.967546      18.13686  -3.869120      11.60224      0.2507519      1.563748  
1 1 1 4   26 11 o 2.197351  0.7723997     -43.01545      19.62595  -1.996864      19.18637      -0.6435896     1.544799  
1 1 1 4   26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   26 13 o 2.593145  1.274593      ?              ?         11.52690       22.98782      ?              ?         
1 1 1 4   28 0  o 3.605124  0.7609479     ?              ?         14.76963       5.314030      ?              ?         
1 1 1 4   28 1  o 5.548974  0.7389689     40.11953       10.65665  33.91069       11.89275      0.6993648      1.477938  
1 1 1 4   28 2  o 2.604701  0.7938116     5.595648       9.814337  1.854423       11.71861      0.8488716E-01  1.587623  
1 1 1 4   28 3  o 5.203794  0.9063538     30.74132       12.46641  43.48214       14.16572      -0.9546269     1.812708  
1 1 1 4   28 4  o 2.685700  0.8367319     -4.062109      13.04673  11.14888       12.81223      -0.7180032     1.673464  
1 1 1 4   28 5  o 2.631396  0.8571076     -4.019367      14.56283  6.017643       15.21392      -0.4114344     1.714215  
1 1 1 4   28 6  o 2.420155  0.8223403     -10.11992      15.77603  -3.617874      17.07738      -0.2473564     1.644681  
1 1 1 4   28 7  o 2.300437  0.7962022     -11.37266      17.00032  -13.02350      17.75053      -0.5565993E-02 1.592404  
1 1 1 4   28 8  o 3.466880  0.9697533     50.91043       18.63817  -9.709347      19.45355      2.488092       1.939507  
1 1 1 4   28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   28 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   30 0  o 3.965736  0.7077038     23.26232       7.095312  20.13687       10.67204      0.8137760      1.415408  
1 1 1 4   30 1  o 2.640972  1.198329      8.280912       13.72052  ?              ?             ?              ?         
1 1 1 4   30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 4   30 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   1  0  o 12.04622  0.8517168     146.1628       20.38761  ?              ?             ?              ?         
1 1 1 5   1  1  o 19.72886  1.514162      394.2856       59.28859  ?              ?             ?              ?         
1 1 1 5   1  2  o 24.69688  1.790569      619.3082       87.84219  ?              ?             ?              ?         
1 1 1 5   1  3  o 10.66700  0.5690467     109.5809       17.02887  119.4955       17.03263      -0.4678613     1.138093  
1 1 1 5   1  4  o 15.12798  0.7554720     184.9155       31.59836  278.0454       31.78003      -3.105949      1.510944  
1 1 1 5   1  5  o 12.29889  0.6552243     126.2606       22.38046  178.8046       22.44899      -2.157722      1.310449  
1 1 1 5   1  6  o 43.45985  2.478508      1864.272       301.4672  2148.984       301.6480      -3.303110      4.957016  
1 1 1 5   1  7  o 36.00039  1.978262      1198.977       198.7589  1521.471       199.1860      -4.519310      3.956524  
1 1 1 5   1  8  o 16.23353  0.8336812     213.9097       37.37294  323.0573       37.61108      -3.393208      1.667362  
1 1 1 5   1  9  o 35.82447  1.964291      1166.971       194.9211  1640.381       195.8667      -6.663207      3.928582  
1 1 1 5   1  10 o 6.001268  0.3123274     30.32187       6.139399  41.04059       4.395653      -0.9270105     0.6246548 
1 1 1 5   1  11 o 16.95802  0.6364192     282.2239       30.38984  300.9190       30.42176      -0.5527871     1.272838  
1 1 1 5   1  12 o 30.41850  1.194587      964.8983       102.3681  958.0058       102.3794      0.1137842      2.389174  
1 1 1 5   1  13 o 38.92033  1.573902      1589.719       172.5310  1618.692       172.5323      -0.3734478     3.147805  
1 1 1 5   1  14 o 15.82867  0.5956394     249.2477       26.55872  257.3136       26.57795      -0.2554275     1.191279  
1 1 1 5   1  15 o 7.033407  0.3092707     49.02439       6.112335  50.54993       6.130617      -0.1087508     0.6185415 
1 1 1 5   1  16 o 7.094977  0.3363109     49.68839       6.706642  51.82867       6.711010      -0.1515209     0.6726218 
1 1 1 5   1  17 o 9.704054  0.4085979     93.93978       11.14890  96.59328       11.17761      -0.1369329     0.8171958 
1 1 1 5   1  18 o 15.71600  0.6228674     244.8732       27.53322  263.4397       27.59529      -0.5918528     1.245735  
1 1 1 5   1  19 o 8.795680  0.4063933     76.67677       10.02715  81.23771       10.07639      -0.2595854     0.8127865 
1 1 1 5   1  20 o 12.53742  0.5268849     172.5851       18.61485  156.3938       18.55544      0.6467370      1.053770  
1 1 1 5   1  21 o 1.747618  0.5517148     -6.904679      5.942948  2.012276       5.962534      -0.5897316     1.103430  
1 1 1 5   1  22 o 9.003654  0.4707509     86.67668       11.88292  89.93147       11.92033      -0.1792529     0.9415019 
1 1 1 5   1  23 o 2.303801  0.6541449     -0.8448922E-01 6.950552  10.18440       7.113559      -0.8687325     1.308290  
1 1 1 5   1  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   1  25 o 2.434629  0.7115756     4.836853       8.727169  19.47320       8.833800      -0.9968923     1.423151  
1 1 1 5   3  0  o 21.32938  0.8025134     462.9712       48.24024  453.1533       48.23585      0.2308141      1.605027  
1 1 1 5   3  1  o 37.27700  1.350909      1403.254       141.9221  1415.823       141.9924      -0.1687757     2.701818  
1 1 1 5   3  2  o 39.92308  1.350290      1574.485       151.8599  1657.768       152.1353      -1.044713      2.700579  
1 1 1 5   3  3  o 19.00550  0.7009534     362.1829       37.55186  364.6773       37.54771      -0.6581691E-01 1.401907  
1 1 1 5   3  4  o 26.74077  0.9457081     681.1715       71.18878  760.7530       71.29397      -1.492857      1.891416  
1 1 1 5   3  5  o 14.89687  0.5523575     222.2213       23.18612  224.0146       23.19777      -0.6031885E-01 1.104715  
1 1 1 5   3  6  o 25.67179  0.9548768     647.3660       69.05580  686.2465       69.08535      -0.7595458     1.909754  
1 1 1 5   3  7  o 10.13623  0.3797818     94.01004       10.81454  112.1864       10.83887      -0.9005380     0.7595636 
1 1 1 5   3  8  o 1.946509  0.2710877     5.797520       1.486650  1.986760       1.466564      0.9600846      0.5421754 
1 1 1 5   3  9  o 14.06268  0.5187906     198.4399       20.54975  200.8324       20.57702      -0.8512288E-01 1.037581  
1 1 1 5   3  10 o 34.14686  1.477239      1013.352       118.5196  1515.931       168.6014      -6.553787      2.954479  
1 1 1 5   3  11 o 2.522429  0.4331580     5.999353       2.974113  7.307500       3.151129      -0.2461043     0.8663159 
1 1 1 5   3  12 o 4.222968  0.3750576     12.79487       4.196040  23.55381       4.307806      -1.308575      0.7501153 
1 1 1 5   3  13 o 14.46924  0.8025367     191.7986       32.47852  234.1053       32.49407      -1.475592      1.605073  
1 1 1 5   3  14 o 25.22184  1.401932      568.9200       98.33437  766.9042       98.64902      -3.963012      2.803864  
1 1 1 5   3  15 o 2.996144  0.4372604     -1.135641      4.161902  19.48561       4.670557      -2.806772      0.8745208 
1 1 1 5   3  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   3  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   3  18 o 11.34318  1.525203      ?              ?         141.3170       33.72526      ?              ?         
1 1 1 5   3  19 o 8.355838  0.5802854     64.62418       12.99161  81.36295       14.01285      -0.9845856     1.160571  
1 1 1 5   3  20 o 5.495206  0.4698350     27.97131       7.429808  34.67173       6.847807      -0.6486230     0.9396700 
1 1 1 5   3  21 o 2.852196  0.6515344     11.78952       6.109041  5.703345       6.299362      0.7351453      1.303069  
1 1 1 5   3  22 o 1.633091  0.5446443     -4.496735      6.442868  -6.229913      6.671816      0.5012547E-01  1.089289  
1 1 1 5   3  23 o 2.967944  0.7191872     14.18949       7.298332  9.857572       7.467258      0.4766251      1.438374  
1 1 1 5   3  24 o 2.611550  0.7557459     15.36154       8.650088  5.211499       10.61722      0.7079521      1.511492  
1 1 1 5   3  25 o 2.658607  0.7620119     18.55552       8.903108  13.88671       9.196493      0.3857316      1.524024  
1 1 1 5   5  0  o 24.51873  0.8735816     674.5953       60.22812  536.8318       60.09365      2.821375       1.747163  
1 1 1 5   5  1  o 23.95267  0.8551107     590.1886       57.75646  565.8629       57.71509      0.5090734      1.710221  
1 1 1 5   5  2  o 12.16984  0.4400043     157.3140       15.08897  139.7372       15.07319      0.7247891      0.8800086 
1 1 1 5   5  3  o 25.96651  0.9550412     699.0532       69.90800  662.3054       69.85961      0.7095983      1.910082  
1 1 1 5   5  4  o 41.16551  1.503998      1707.238       174.5029  1758.477       174.5116      -0.6240528     3.007995  
1 1 1 5   5  5  o 52.30374  1.934296      2692.347       284.5915  2997.637       285.2429      -2.924485      3.868592  
1 1 1 5   5  6  o 9.221823  0.3543422     83.68146       9.200093  87.12688       9.212508      -0.1873484     0.7086843 
1 1 1 5   5  7  o 10.11119  0.3861958     99.50212       10.99957  105.9405       11.00071      -0.3194564     0.7723917 
1 1 1 5   5  8  o 9.758539  0.3689967     92.43558       10.13881  99.02791       10.14893      -0.3388661     0.7379935 
1 1 1 5   5  9  o 12.15575  0.4570347     141.3728       15.62514  156.4003       15.66620      -0.6201653     0.9140694 
1 1 1 5   5  10 o 26.55108  0.9798352     679.1146       73.14671  772.6295       73.34020      -1.765866      1.959670  
1 1 1 5   5  11 o 12.07058  0.4613983     142.5209       15.66526  151.2413       15.71321      -0.3621119     0.9227966 
1 1 1 5   5  12 o 31.82649  1.181210      989.0872       105.7495  1105.818       105.9772      -1.838472      2.362421  
1 1 1 5   5  13 o 28.26836  1.067664      782.7188       84.95848  859.1743       85.04013      -1.356589      2.135328  
1 1 1 5   5  14 o 20.65892  0.7600839     426.3214       44.23083  441.8949       44.27973      -0.3776160     1.520168  
1 1 1 5   5  15 o 13.95952  0.5355869     189.5789       21.01954  204.6059       21.09621      -0.5395283     1.071174  
1 1 1 5   5  16 o 9.864528  0.3991686     99.33785       11.05532  97.18482       11.12542      0.1101299      0.7983373 
1 1 1 5   5  17 o 3.530554  0.4714437     17.20037       4.494344  8.276581       4.677679      1.277363       0.9428873 
1 1 1 5   5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   5  19 o 8.203819  0.4414628     66.95627       9.371466  72.34193       11.18684      -0.2859783     0.8829256 
1 1 1 5   5  20 o 6.333625  0.5707107     35.48669       8.689914  52.24363       11.48559      -1.205211      1.141421  
1 1 1 5   5  21 f 3.225522  0.7704034     15.74675       7.987787  5.794746       10.21549      0.8654035      1.540807  
1 1 1 5   5  22 o 2.474121  0.7447331     7.184771       8.308431  -0.7539921     10.88100      0.3092423      1.489466  
1 1 1 5   5  23 o 2.676169  0.7997299     6.217175       8.973264  14.99917       12.38935      -0.5950848     1.599460  
1 1 1 5   5  24 o 2.675126  0.7536072     25.01818       10.24578  -10.19309      13.89524      1.695357       1.507214  
1 1 1 5   7  0  f 31.35601  1.226509      995.6420       101.3601  1003.591       117.0262      -0.5315741E-01 2.453018  
1 1 1 5   7  1  o 17.09098  0.6025787     293.4400       29.03989  294.0892       29.03433      -0.1906133E-01 1.205157  
1 1 1 5   7  2  o 8.196877  0.3126771     73.89063       7.769971  61.55562       6.715888      0.7492814      0.6253542 
1 1 1 5   7  3  o 23.77616  0.8541880     593.7304       57.24493  547.1253       57.20783      0.9831350      1.708376  
1 1 1 5   7  4  o 21.59762  0.8011038     491.3852       48.76975  449.9951       48.70623      0.9613029      1.602208  
1 1 1 5   7  5  o 21.74542  0.8036730     463.4617       49.20321  492.5607       49.28341      -0.6707991     1.607346  
1 1 1 5   7  6  o 10.58642  0.3986113     107.2472       11.86994  117.9163       11.89959      -0.5056130     0.7972227 
1 1 1 5   7  7  o 9.596479  0.3715658     93.62861       10.05217  91.67127       10.04076      0.1022315      0.7431316 
1 1 1 5   7  8  o 14.86139  0.5662437     219.5781       23.70621  227.2341       23.71609      -0.2583063     1.132487  
1 1 1 5   7  9  o 24.20403  0.9098852     582.9013       62.00668  619.7925       62.08563      -0.7637617     1.819770  
1 1 1 5   7  10 f 24.27524  0.9061323     573.4887       61.88116  633.8981       62.01798      -1.247513      1.812265  
1 1 1 5   7  11 o 20.38315  0.7707663     410.1768       44.20563  434.7501       44.31820      -0.6038532     1.541533  
1 1 1 5   7  12 o 20.91432  0.7812006     420.4243       45.96788  467.7451       46.05293      -1.134961      1.562401  
1 1 1 5   7  13 o 21.24101  0.7801482     435.1436       46.62171  481.6365       46.72828      -1.097548      1.560296  
1 1 1 5   7  14 o 28.23434  1.056303      799.7308       83.95782  848.7407       84.09978      -0.8690766     2.112607  
1 1 1 5   7  15 o 15.34690  0.5874159     226.4760       25.32007  251.3865       25.44646      -0.8135329     1.174832  
1 1 1 5   7  16 o 8.319774  0.3695752     71.73129       8.615309  68.05699       8.686473      0.2225304      0.7391503 
1 1 1 5   7  17 o 10.90766  0.4455500     122.3990       13.63587  119.3681       13.73771      0.1407481      0.8911000 
1 1 1 5   7  18 o 12.61704  0.4981734     162.7779       17.62696  163.9973       17.78876      -0.4542771E-01 0.9963468 
1 1 1 5   7  19 o 4.137105  0.5421617     18.29624       5.931612  18.39134       6.309882      0.4917077E-02  1.084323  
1 1 1 5   7  20 o 4.715131  0.5222687     23.21707       6.532190  24.86915       6.955490      -0.1551246     1.044537  
1 1 1 5   7  21 o 3.317595  0.6592142     16.82778       6.576495  8.443164       6.932444      1.035702       1.318428  
1 1 1 5   7  22 o 2.172247  0.6475747     6.649710       6.852134  -1.398229      7.426853      0.5494346      1.295149  
1 1 1 5   7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   7  24 o 2.691682  0.7323654     4.914023       8.501598  22.85590       9.247118      -1.350445      1.464731  
1 1 1 5   9  0  o 16.60984  0.6741797     280.9575       34.05248  276.2997       29.51103      0.1193406      1.348359  
1 1 1 5   9  1  o 29.41527  0.9791907     1033.391       80.57240  727.9786       80.25244      5.211501       1.958381  
1 1 1 5   9  2  o 45.98915  1.688073      2444.050       218.1779  1952.019       217.7866      5.371299       3.376146  
1 1 1 5   9  3  f 19.66632  0.6580889     405.6092       36.50466  373.9111       36.46441      0.8080375      1.316178  
1 1 1 5   9  4  o 24.70164  0.9068734     649.7999       63.14663  589.4714       63.05298      1.224913       1.813747  
1 1 1 5   9  5  o 12.97888  0.4934717     178.5434       18.03553  160.6395       18.03328      0.6924289      0.9869434 
1 1 1 5   9  6  o 12.50404  0.4690728     159.3522       16.51995  155.9126       16.53899      0.1380644      0.9381455 
1 1 1 5   9  7  o 9.693166  0.3799142     99.08955       10.37770  89.96826       10.35830      0.4722448      0.7598284 
1 1 1 5   9  8  o 3.005578  0.2535653     11.40881       2.023249  6.812648       2.100456      0.7883819      0.5071306 
1 1 1 5   9  9  o 13.49026  0.5234348     182.0145       19.88335  185.7856       19.90648      -0.1400406     1.046870  
1 1 1 5   9  10 o 7.126661  0.3044807     53.32497       6.083501  48.71490       6.126853      0.3252645      0.6089615 
1 1 1 5   9  11 o 15.66295  0.5830245     241.0169       25.69901  254.5403       25.76358      -0.4326423     1.166049  
1 1 1 5   9  12 o 36.00381  1.332717      1306.837       135.2485  1396.417       135.1368      -1.249454      2.665434  
1 1 1 5   9  13 o 22.46072  0.8121894     487.9377       51.29544  540.4565       51.47915      -1.171600      1.624379  
1 1 1 5   9  14 o 20.76162  0.7768621     428.3596       45.37651  453.2408       45.51241      -0.5996812     1.553724  
1 1 1 5   9  15 o 13.65958  0.5258698     183.7980       20.16380  194.7900       20.30571      -0.4022556     1.051740  
1 1 1 5   9  16 o 2.544457  0.5616693     8.201579       4.418376  4.287239       4.841008      0.5345649      1.123339  
1 1 1 5   9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   9  18 o 12.53300  0.5217857     167.1346       18.36128  157.9061       18.45771      0.3719787      1.043571  
1 1 1 5   9  19 o 6.999243  0.4349965     53.13715       8.378707  48.55270       8.662453      0.3404308      0.8699929 
1 1 1 5   9  20 o 4.053675  0.5661354     33.24545       6.913329  3.755774       7.207263      3.220429       1.132271  
1 1 1 5   9  21 o 4.542707  0.6129412     31.65860       7.513945  16.07748       7.896640      1.753977       1.225882  
1 1 1 5   9  22 o 4.666095  0.6631547     24.62483       8.206541  31.23591       8.680291      -0.6422200     1.326309  
1 1 1 5   9  23 o 3.008598  1.373083      ?              ?         24.74633       18.34513      ?              ?         
1 1 1 5   9  24 o 4.097161  0.7164199     49.33188       10.15482  14.76391       10.76088      3.170826       1.432840  
1 1 1 5   11 0  o 19.92078  0.6740409     397.7882       37.86395  405.1288       37.87013      -0.1846416     1.348082  
1 1 1 5   11 1  o 7.214092  0.2642468     58.89075       5.341805  45.62168       5.352573      0.9241828      0.5284935 
1 1 1 5   11 2  o 7.493982  0.2814623     64.34794       5.921079  48.55921       5.897728      1.058644       0.5629246 
1 1 1 5   11 3  o 20.23180  0.7158380     472.1082       40.65181  359.2687       40.54469      2.800562       1.431676  
1 1 1 5   11 4  o 18.27292  0.6865121     355.8683       35.34589  321.3757       35.30928      0.9471068      1.373024  
1 1 1 5   11 5  o 12.90554  0.4924101     181.8626       17.88901  154.0317       17.85983      1.082986       0.9848201 
1 1 1 5   11 6  o 14.23218  0.5432894     207.7366       21.78439  201.9870       21.79002      0.2026553      1.086579  
1 1 1 5   11 7  o 5.612031  0.2471446     34.17111       3.877001  29.01991       3.916086      0.4620638      0.4942892 
1 1 1 5   11 8  o 14.24551  0.5535763     220.0324       22.20597  189.7289       22.16663      1.068175       1.107153  
1 1 1 5   11 9  o 29.07976  1.091403      847.1224       89.37355  895.9729       89.46925      -0.8416806     2.182806  
1 1 1 5   11 10 o 26.90405  1.030696      738.9351       78.09576  747.2985       78.18040      -0.1551184     2.061393  
1 1 1 5   11 11 o 7.061480  0.3057852     47.16781       6.023801  53.05926       6.120793      -0.4184632     0.6115704 
1 1 1 5   11 12 o 4.442978  0.3090158     19.52360       3.729032  20.47310       3.944598      -0.1047754     0.6180317 
1 1 1 5   11 13 o 24.27059  0.8959144     576.6710       61.15795  634.5825       61.33695      -1.195238      1.791829  
1 1 1 5   11 14 o 7.143403  0.3463047     52.27624       6.809108  50.67886       7.108326      0.1154114      0.6926094 
1 1 1 5   11 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   11 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   11 17 o 10.05234  0.4415994     102.1795       12.32462  104.8349       12.66827      -0.1258888     0.8831987 
1 1 1 5   11 18 o 5.570039  0.4709554     35.10297       6.989900  29.21830       7.535574      0.5612934      0.9419109 
1 1 1 5   11 19 o 5.841151  0.4928808     36.66041       7.712060  36.18249       8.281737      0.7074619E-01  0.9857615 
1 1 1 5   11 20 o 7.693771  0.4780429     67.64807       10.07434  60.29157       10.50480      0.5112517      0.9560859 
1 1 1 5   11 21 o 3.903448  0.7237802     17.34812       7.736612  22.87564       8.499454      -0.5591315     1.447560  
1 1 1 5   11 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   11 23 o 3.190427  0.7881821     26.88636       9.314997  12.50530       10.27517      1.338198       1.576364  
1 1 1 5   13 0  o 17.87258  0.6584633     350.7555       33.13772  296.9835       33.08044      1.510347       1.316927  
1 1 1 5   13 1  o 18.38607  0.6091530     401.2167       31.34870  285.8993       31.23484      3.148108       1.218306  
1 1 1 5   13 2  o 12.41183  0.4534792     177.6779       15.78691  133.3790       15.74471      1.792942       0.9069583 
1 1 1 5   13 3  o 18.39212  0.6486049     379.8068       33.55878  306.3857       33.48723      2.003988       1.297210  
1 1 1 5   13 4  o 8.506988  0.3089026     73.90675       7.401145  71.58476       7.412937      0.1369338      0.6178052 
1 1 1 5   13 5  o 14.80087  0.5602346     241.8784       23.33790  200.7899       23.28708      1.394159       1.120469  
1 1 1 5   13 6  o 13.78150  0.5337428     212.2418       20.69090  171.1921       20.62726      1.496398       1.067486  
1 1 1 5   13 7  o 15.60775  0.6033356     246.7958       26.51582  246.1390       26.55049      0.2134729E-01  1.206671  
1 1 1 5   13 8  o 6.252982  0.2834899     38.87040       4.958042  39.79534       5.016747      -0.7383051E-01 0.5669798 
1 1 1 5   13 9  o 20.65928  0.8055164     414.9031       46.80170  452.9095       46.91611      -0.9224727     1.611033  
1 1 1 5   13 10 o 9.826832  0.3870178     109.9199       10.69136  84.49168       10.63070      1.300477       0.7740357 
1 1 1 5   13 11 o 19.55081  0.7509310     394.6393       41.44679  384.1247       41.28597      0.2682956      1.501862  
1 1 1 5   13 12 o 10.43711  0.4273186     109.6933       12.50896  110.2663       12.61311      -0.2670921E-01 0.8546371 
1 1 1 5   13 13 o 33.07048  1.256881      1197.435       117.1550  1141.844       117.0595      0.8413182      2.513762  
1 1 1 5   13 14 o 6.994311  1.019151      51.25768       13.83763  ?              ?             ?              ?         
1 1 1 5   13 15 o 7.931268  0.4896105     59.84285       10.61548  69.01904       11.10726      -0.5746529     0.9792210 
1 1 1 5   13 16 o 4.183770  0.5522017     14.14280       5.924080  22.88047       6.634174      -1.039469      1.104403  
1 1 1 5   13 17 o 4.018818  0.6048575     18.34043       6.304336  16.52881       7.163893      0.2564944      1.209715  
1 1 1 5   13 18 o 4.763901  0.5744211     27.99286       7.123436  20.54919       7.881278      0.8489408      1.148842  
1 1 1 5   13 19 f 5.680860  0.5420313     35.01146       8.112158  36.49294       8.920255      -0.7408690E-01 1.084063  
1 1 1 5   13 20 o 3.550725  0.7542450     15.50832       7.681015  17.88222       8.759822      -0.1964561     1.508490  
1 1 1 5   13 21 f 4.468424  0.7432997     27.20186       8.886324  28.80840       9.632257      -0.4776713E-01 1.486599  
1 1 1 5   13 22 o 2.330607  0.7250038     2.643098       8.975767  13.18132       10.09561      -0.6223634     1.450008  
1 1 1 5   13 23 f 2.040000  0.6682215     15.76517       9.869675  -6.420087      11.06571      0.8289741      1.336443  
1 1 1 5   15 0  o 19.26429  0.6845196     419.4324       37.06739  333.5717       37.00348      2.237875       1.369039  
1 1 1 5   15 1  o 17.24477  0.6040295     367.8560       28.96477  238.3829       28.82952      3.770707       1.208059  
1 1 1 5   15 2  f 2.402081  0.2436880     6.808757       1.432675  4.576730       1.816283      0.4959370      0.4873760 
1 1 1 5   15 3  o 7.390700  0.2784904     60.85696       5.789478  48.82436       5.772449      0.8178766      0.5569808 
1 1 1 5   15 4  o 10.41169  0.4058694     116.9627       11.90155  101.0373       11.87648      0.7681037      0.8117388 
1 1 1 5   15 5  o 14.20448  0.5428234     222.4580       21.68797  184.4566       21.66327      1.343896       1.085647  
1 1 1 5   15 6  o 11.26487  0.4504198     143.3726       14.25606  112.2126       14.20697      1.390417       0.9008396 
1 1 1 5   15 7  o 22.60492  0.8708705     548.7272       55.42229  492.3661       55.42389      1.251741       1.741741  
1 1 1 5   15 8  o 26.17181  0.9913515     708.3354       73.06142  697.7252       73.16927      0.2043279      1.982703  
1 1 1 5   15 9  o 3.120861  0.3999804     12.06719       3.340234  7.654079       3.481462      0.7270591      0.7999608 
1 1 1 5   15 10 o 12.56335  0.4934216     178.0750       17.49318  140.8304       17.30440      1.488467       0.9868432 
1 1 1 5   15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   15 12 o 7.762409  0.3734931     68.69421       8.035485  52.82207       8.181421      1.032542       0.7469863 
1 1 1 5   15 13 o 11.39242  0.4748936     142.4007       15.15808  120.9234       15.25488      0.9489993      0.9497871 
1 1 1 5   15 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   15 15 o 2.900201  0.6150380     13.92366       5.925645  1.288451       6.515302      1.438793       1.230076  
1 1 1 5   15 16 o 8.845057  0.4545565     76.28830       11.01198  85.83971       11.56757      -0.5273305     0.9091130 
1 1 1 5   15 17 o 2.668856  0.7024614     5.002924       6.593501  8.799624       7.751342      -0.4678926     1.404923  
1 1 1 5   15 18 o 8.964072  0.4908577     91.30190       12.01282  81.23702       12.67788      0.6049932      0.9817154 
1 1 1 5   15 19 o 2.997756  0.7356968     15.97679       7.785482  4.529951       8.933077      1.060321       1.471394  
1 1 1 5   15 20 o 4.218674  0.7583213     29.34020       8.992302  20.13506       9.767037      1.084690       1.516643  
1 1 1 5   15 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   15 22 o 1.844184  0.6336203     3.605963       10.00000  -7.847709      11.38935      0.2695927      1.267241  
1 1 1 5   17 0  o 9.034647  0.3448805     92.32096       8.783263  71.82974       8.700311      1.139239       0.6897609 
1 1 1 5   17 1  o 5.881886  0.2428388     43.30777       3.955316  26.79087       3.933122      1.413087       0.4856777 
1 1 1 5   17 2  o 19.90399  0.7506797     426.6621       42.06268  376.8100       42.06419      1.257470       1.501359  
1 1 1 5   17 3  o 10.73061  0.3990708     139.5227       11.95454  93.44640       11.86863      2.157680       0.7981417 
1 1 1 5   17 4  o 10.16176  0.3843723     114.4057       10.99375  93.19759       10.95760      1.048299       0.7687446 
1 1 1 5   17 5  o 23.03423  0.9047139     576.8857       54.70280  501.0335       63.18434      1.735866       1.809428  
1 1 1 5   17 6  o 21.61722  0.8841314     482.3122       50.37110  472.7299       58.09948      0.2963175      1.768263  
1 1 1 5   17 7  o 6.763252  0.3140093     48.49088       5.967878  43.50272       5.968486      0.3708406      0.6280186 
1 1 1 5   17 8  o 13.92760  0.5455495     212.1709       21.41288  180.1510       21.32409      1.154206       1.091099  
1 1 1 5   17 9  o 2.934342  0.7320907     12.76777       7.596676  -4.132226      10.11349      1.158132       1.464181  
1 1 1 5   17 10 o 9.614249  0.4198411     97.90467       11.36352  88.88207       11.34215      0.4712820      0.8396822 
1 1 1 5   17 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   17 12 o 2.816901  0.5364566     13.68552       4.868391  0.3668575      5.530929      1.667841       1.072913  
1 1 1 5   17 13 o 3.051439  0.7285498     5.589900       6.023949  14.90761       9.830285      -1.217615      1.457100  
1 1 1 5   17 14 o 15.31363  0.6562235     256.0205       28.25758  237.8215       28.29461      0.5979357      1.312447  
1 1 1 5   17 15 o 11.05377  0.5164242     140.8119       15.92124  114.4549       16.08377      1.206379       1.032848  
1 1 1 5   17 16 o 2.368119  0.6882682     5.192169       7.142241  0.4797076      7.938602      0.2906229      1.376536  
1 1 1 5   17 17 o 1.847505  0.6107787     -1.747777      7.707818  -11.00725      8.574440      0.3024155      1.221557  
1 1 1 5   17 18 o 6.096523  0.6147472     45.68780       9.734669  41.38296       10.94574      0.4980868      1.229494  
1 1 1 5   17 19 o 1.953745  0.6507362     -2.195601      8.885883  -5.192229      9.780225      0.4179883E-01  1.301472  
1 1 1 5   17 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   17 21 o 1.839129  0.6376418     -1.627193      10.55262  -5.567529      12.20711      0.2726495E-01  1.275284  
1 1 1 5   19 0  o 24.53842  0.9365095     665.0598       69.69483  576.8647       60.36620      1.704212       1.873019  
1 1 1 5   19 1  o 19.18659  0.6895502     437.5383       37.00366  312.2635       36.89704      3.279593       1.379100  
1 1 1 5   19 2  o 24.04223  0.8441448     663.0381       56.96623  519.1044       56.95331      3.006489       1.688290  
1 1 1 5   19 3  o 7.520127  0.3371422     66.99568       6.472516  46.53732       7.549924      1.382809       0.6742845 
1 1 1 5   19 4  o 7.373737  0.3088362     61.75864       6.400606  47.62717       6.362437      0.9637533      0.6176723 
1 1 1 5   19 5  o 3.900919  0.3676935     15.90016       4.656341  15.35651       3.503107      0.4421640E-01  0.7353870 
1 1 1 5   19 6  o 31.50051  1.449400      1144.285       128.4777  999.2904       128.0133      2.305828       2.898800  
1 1 1 5   19 7  o 10.83209  0.4484004     128.9011       13.70392  108.1908       13.59577      0.9599632      0.8968008 
1 1 1 5   19 8  o 14.29102  0.5639772     230.4946       22.78668  185.1301       22.47875      1.591665       1.127954  
1 1 1 5   19 9  o 3.156987  0.5242898     12.36225       4.387707  7.730155       5.176285      0.6845772      1.048580  
1 1 1 5   19 10 o 2.831986  0.5860518     3.740860       4.972818  12.69310       5.645946      -1.249252      1.172104  
1 1 1 5   19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   19 12 o 4.391262  0.5610172     21.04812       6.392406  19.73225       7.105041      0.1791852      1.122034  
1 1 1 5   19 13 o 6.274660  0.4838904     42.68808       8.150255  39.18629       8.763801      0.3043753      0.9677809 
1 1 1 5   19 14 o 10.12747  0.5241472     123.9014       14.63805  92.31998       14.95151      1.587195       1.048294  
1 1 1 5   19 15 o 8.020504  0.5096919     71.68238       11.11685  65.99445       11.77067      0.3929084      1.019384  
1 1 1 5   19 16 o 3.617623  0.7914902     15.79917       8.303903  17.55088       9.665762      -0.1337015     1.582980  
1 1 1 5   19 17 o 2.617374  0.7601762     2.147341       8.899234  12.33477       9.861020      -0.7731110     1.520352  
1 1 1 5   19 18 o 4.778029  0.8248290     31.22589       10.55160  37.22064       11.58759      -0.4044943     1.649658  
1 1 1 5   19 19 o 2.911297  0.8480410     22.83667       11.48010  10.88820       12.21588      0.7746742      1.696082  
1 1 1 5   19 20 o 2.504320  0.7929090     6.719608       11.61923  27.50454       12.98727      -0.8917421     1.585818  
1 1 1 5   21 0  o 3.462756  0.3437672     13.30489       3.233554  11.08315       3.297391      0.3308182      0.6875344 
1 1 1 5   21 1  o 14.93969  0.5765905     254.4675       24.15471  199.1978       24.17146      1.859700       1.153181  
1 1 1 5   21 2  o 5.641157  0.2851479     36.35711       4.333788  27.49668       4.649213      0.7972066      0.5702958 
1 1 1 5   21 3  o 5.048543  0.2815985     29.31007       4.051285  22.12906       3.886598      0.7158247      0.5631970 
1 1 1 5   21 4  o 8.365026  0.3616123     90.78909       8.347654  52.27904       8.242404      2.317317       0.7232247 
1 1 1 5   21 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   21 6  o 15.76430  0.6346605     269.9825       28.18458  239.4994       28.11980      0.9702247      1.269321  
1 1 1 5   21 7  o 8.650007  0.4140150     87.14676       10.02071  64.71037       9.984665      1.306910       0.8280300 
1 1 1 5   21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   21 9  o 11.87906  0.5281532     159.0748       17.70098  130.9460       17.51767      1.187585       1.056306  
1 1 1 5   21 10 o 3.892667  0.5821658     18.90307       5.881710  12.41412       6.945970      0.8440455      1.164332  
1 1 1 5   21 11 o 11.14954  0.5306680     139.1732       16.65331  120.1432       16.56738      0.8562626      1.061336  
1 1 1 5   21 12 o 2.129976  0.6306561     -8.251550      6.981400  7.533109       8.002054      -1.210454      1.261312  
1 1 1 5   21 13 o 2.406317  0.7041354     4.895995       7.385747  0.8978961      8.494992      0.1920160      1.408271  
1 1 1 5   21 14 f 7.903880  0.5483521     79.02370       11.69397  57.63980       12.25073      1.416542       1.096704  
1 1 1 5   21 15 o 2.372051  0.6855047     -9.527117      8.221013  14.63043       9.929483      -1.637659      1.371009  
1 1 1 5   21 16 o 4.755268  0.8062566     36.46984       10.59687  26.39711       11.30705      1.095615       1.612513  
1 1 1 5   21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   21 18 o 2.511774  0.8022352     8.059912       11.22274  16.51989       13.20423      -0.3665115     1.604470  
1 1 1 5   23 0  o 6.128014  0.3678582     42.97472       6.013887  32.69643       6.553818      0.8600445      0.7357165 
1 1 1 5   23 1  f 4.764086  0.4118069     27.24983       4.568423  17.82006       6.283475      1.072732       0.8236137 
1 1 1 5   23 2  o 3.610554  0.5046681     15.67164       4.981852  11.42682       4.973598      0.5939984      1.009336  
1 1 1 5   23 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   23 5  o 7.383404  0.3803409     69.63698       7.864633  42.18052       7.607398      1.873007       0.7606819 
1 1 1 5   23 6  o 3.427958  0.5309882     13.03502       4.729344  11.81751       5.387720      0.1909503      1.061976  
1 1 1 5   23 7  o 7.910821  0.4294601     61.97763       9.460397  66.55598       9.603299      -0.2879785     0.8589202 
1 1 1 5   23 8  o 7.098015  0.4624929     40.55274       8.428123  64.87502       9.772181      -1.693807      0.9249858 
1 1 1 5   23 9  o 4.028928  0.6258577     16.87496       6.779506  18.91825       7.097242      -0.2363078     1.251715  
1 1 1 5   23 10 o 5.120996  0.5798319     25.32174       7.806315  31.75159       8.383215      -0.6105965     1.159664  
1 1 1 5   23 11 o 5.868288  0.5776516     44.86325       8.682636  29.31763       9.733211      1.441776       1.155303  
1 1 1 5   23 12 o 4.713222  0.7123377     29.08369       8.922617  23.22548       9.685004      0.6801335      1.424675  
1 1 1 5   23 13 o 5.463951  0.6977695     43.97268       10.28681  27.71724       10.52074      1.547637       1.395539  
1 1 1 5   23 14 o 2.757441  0.8048312     7.954758       9.648954  10.42454       10.76428      -0.1992647     1.609662  
1 1 1 5   23 15 o 3.985694  0.8979480     25.77943       10.69146  28.32438       12.27360      -0.1775913E-01 1.795896  
1 1 1 5   23 16 o 2.481661  0.8720580     -1.923972      20.47343  15.79969       27.02031      -0.3266530     1.744116  
1 1 1 5   25 0  o 2.615411  0.5919496     2.440251       4.740291  11.79024       5.945170      -1.289842      1.183899  
1 1 1 5   25 1  o 9.211783  0.3988448     92.68429       10.30972  80.91137       10.34710      0.6433364      0.7976896 
1 1 1 5   25 2  o 5.784500  0.3347513     38.91291       5.403866  29.26546       5.387668      0.8430175      0.6695027 
1 1 1 5   25 3  o 3.968762  0.6381016     22.98803       6.564680  7.826022       9.518491      1.654176       1.276203  
1 1 1 5   25 4  o 7.418385  0.3547235     58.64135       7.625507  54.22074       7.183233      0.2883960      0.7094471 
1 1 1 5   25 5  o 11.92956  0.5873355     163.3459       18.22735  136.9047       21.24541      1.240760       1.174671  
1 1 1 5   25 6  o 3.383589  0.5692702     15.14892       5.243974  9.194017       5.858157      0.8347839      1.138540  
1 1 1 5   25 7  o 3.896127  0.6962280     23.68349       8.560103  11.57712       7.129589      1.360208       1.392456  
1 1 1 5   25 8  o 3.025840  0.7249588     10.09468       7.266236  10.39382       7.513469      -0.3915195E-01 1.449918  
1 1 1 5   25 9  f 5.562137  0.6051540     41.27937       9.273975  27.92741       8.988317      1.215624       1.210308  
1 1 1 5   25 10 o 2.472232  0.7243345     8.195576       8.561351  0.7382926      8.478086      0.5549015      1.448669  
1 1 1 5   25 11 o 2.544584  0.7378390     11.90718       8.921406  -1.940301      9.591979      0.9035378      1.475678  
1 1 1 5   25 12 o 3.067193  0.7393020     24.28306       9.429481  -5.295188      11.07527      2.084503       1.478604  
1 1 1 5   25 13 o 2.749357  0.9033200     25.36175       21.12096  3.243879       13.95394      0.7740439      1.806640  
1 1 1 5   25 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   27 0  o 4.807047  0.4670753     34.23505       5.742516  15.44766       5.966159      2.029305       0.9341506 
1 1 1 5   27 1  f 2.144490  0.6004283     5.278560       5.250021  0.5429993      5.939203      0.3904535      1.200857  
1 1 1 5   27 2  o 4.370648  0.8451568     20.28134       10.15527  27.36013       11.44308      -0.6396736     1.690314  
1 1 1 5   27 3  o 2.084442  0.6951224     -5.944301      10.29114  -10.73428      11.13327      0.8682305E-01  1.390245  
1 1 1 5   27 4  o 4.074209  0.9407979     17.47260       12.36367  26.47771       12.90359      -0.7612507     1.881596  
1 1 1 5   27 5  o 5.623970  0.9626033     36.78495       15.35017  47.91059       15.19255      -0.9494031     1.925207  
1 1 1 5   27 6  o 4.067772  1.026918      30.64542       15.05544  18.08914       15.76072      0.9143234      2.053837  
1 1 1 5   27 7  o 2.560276  0.8500357     -8.971661      15.32503  2.296063       16.21165      -0.4194402     1.700071  
1 1 1 5   27 8  o 4.265859  1.103491      26.29783       17.73074  41.02222       17.87377      -0.9401024     2.206982  
1 1 1 5   27 9  o 3.406363  0.9845325     42.79591       18.44873  -5.152694      18.88117      2.037739       1.969065  
1 1 1 5   27 10 o 2.889066  0.9625753     5.493816       20.42881  20.19999       20.62982      -0.4067352     1.925151  
1 1 1 5   27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   27 12 o 2.182766  0.7817720     -8.858007      24.45432  -20.48345      23.77114      0.1355124      1.563544  
1 1 1 5   29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 6  o 2.302904  1.163771      ?              ?         -28.21485      25.88358      ?              ?         
1 1 1 5   29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 5   29 8  o 2.573435  1.306525      ?              ?         5.465984       35.14898      ?              ?         
1 1 1 5   29 9  o 2.937790  0.8746928     15.26296       11.59548  27.06163       13.48996      -0.5565547     1.749386  
1 1 1 5   31 0  o 1.793566  0.5956282     -1.843925      7.687027  -0.4666494     7.690949      -0.6393780E-01 1.191256  
1 1 1 5   31 1  o 2.293483  0.7655289     9.072451       12.83646  1.418377       13.34404      0.2497257      1.531058  
1 1 1 6   0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  5  o 13.58930  0.9313588     187.5909       25.03547  187.5909       25.03547      ?              ?         
1 1 1 6   0  6  o 29.65279  2.346976      907.5924       137.1241  907.5924       137.1241      ?              ?         
1 1 1 6   0  7  o 44.43865  3.634181      2094.643       317.8604  2094.643       317.8604      ?              ?         
1 1 1 6   0  8  o 27.49582  1.472531      769.6049       80.44291  769.6049       80.44291      ?              ?         
1 1 1 6   0  9  o 18.64702  0.9736665     352.5420       36.08461  352.5420       36.08461      ?              ?         
1 1 1 6   0  10 o 1.074303  0.5819483     1.632993       1.751119  1.632993       1.751119      ?              ?         
1 1 1 6   0  11 o 46.54633  2.493499      2280.710       230.5949  2280.710       230.5949      ?              ?         
1 1 1 6   0  12 o 60.43679  3.397226      3947.700       407.6447  3947.700       407.6447      ?              ?         
1 1 1 6   0  13 o 28.12959  1.519426      808.3589       84.90801  808.3589       84.90801      ?              ?         
1 1 1 6   0  14 o 13.59727  0.7592008     187.2332       20.49784  187.2332       20.49784      ?              ?         
1 1 1 6   0  15 o 1.676211  0.8018045     4.142749       3.086537  4.142749       3.086537      ?              ?         
1 1 1 6   0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  17 o 16.64717  1.340547      288.6200       43.94587  288.6200       43.94587      ?              ?         
1 1 1 6   0  18 o 1.654942  0.9158951     3.837586       4.436774  3.837586       4.436774      ?              ?         
1 1 1 6   0  19 o 4.962789  0.5998122     25.90529       5.722649  25.90529       5.722649      ?              ?         
1 1 1 6   0  20 o 3.796685  0.8959267     16.96389       5.908318  16.96389       5.908318      ?              ?         
1 1 1 6   0  21 o 7.681333  0.6038947     61.40867       9.141763  61.40867       9.141763      ?              ?         
1 1 1 6   0  22 f 2.379304  1.152367      9.332500       6.399575  9.332500       6.399575      ?              ?         
1 1 1 6   0  23 o 2.140113  1.158823      8.278710       6.940786  8.278710       6.940786      ?              ?         
1 1 1 6   0  24 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   0  25 o 1.718848  1.099392      6.320305       8.466074  6.320305       8.466074      ?              ?         
1 1 1 6   2  0  o 43.99977  1.672596      1968.637       207.3863  1983.585       207.3904      -0.1703466     3.345192  
1 1 1 6   2  1  o 41.64684  1.558649      1759.124       182.9234  1773.680       182.9686      -0.1750612     3.117299  
1 1 1 6   2  2  o 3.123671  0.1292143     9.210048       1.136361  10.34404       1.134751      -0.1823862     0.2584287 
1 1 1 6   2  3  o 18.65240  0.8715063     353.7964       36.11563  341.7695       72.20031      0.5019792      1.743013  
1 1 1 6   2  4  o 39.52024  2.625401      1667.644       251.0302  1633.109       354.7157      1.362642       5.250802  
1 1 1 6   2  5  o 10.39978  0.3329407     77.43278       8.035456  144.9219       11.57796      -3.238977      0.6658814 
1 1 1 6   2  6  o 24.05396  1.272706      498.1646       85.19372  683.0403       85.40590      -3.879815      2.545412  
1 1 1 6   2  7  o 34.04290  1.884189      1062.297       178.9322  1370.362       179.1887      -4.568574      3.768378  
1 1 1 6   2  8  o 29.71885  1.657929      825.8329       137.5675  1034.380       137.7999      -3.540964      3.315857  
1 1 1 6   2  9  o 20.10664  1.073743      344.4133       59.85750  491.4869       60.11974      -3.692334      2.147486  
1 1 1 6   2  10 o 11.82004  0.6274072     112.8697       20.44168  171.8852       20.60483      -2.521060      1.254814  
1 1 1 6   2  11 o 16.59446  0.8945278     226.3080       40.96023  340.6346       41.22120      -3.479083      1.789056  
1 1 1 6   2  12 o 17.00858  0.9286680     248.0355       43.83693  345.2386       44.06631      -2.885404      1.857336  
1 1 1 6   2  13 o 36.40033  2.131125      1248.459       215.4541  1674.684       216.0409      -5.914510      4.262250  
1 1 1 6   2  14 o 13.44939  0.7575219     161.0670       28.41558  206.7324       28.47976      -1.714731      1.515044  
1 1 1 6   2  15 o 14.61098  0.6527175     225.3531       32.88406  212.5879       23.21587      0.3462879      1.305435  
1 1 1 6   2  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   2  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   2  18 o 5.505299  0.7287138     31.81778       9.115820  33.52251       15.32389      0.1145603E-01  1.457428  
1 1 1 6   2  19 o 14.18319  0.5417083     211.2673       21.64794  204.8999       21.64915      0.2251948      1.083417  
1 1 1 6   2  20 o 5.513724  0.4354502     36.99960       6.584457  25.96099       6.617875      1.024568       0.8709005 
1 1 1 6   2  21 o 7.132026  0.4253703     54.16399       8.461823  52.94733       8.539175      0.8942644E-01  0.8507406 
1 1 1 6   2  22 o 1.748346  0.5645291     -0.4839447     6.238900  -4.371187      6.301908      0.2253144      1.129058  
1 1 1 6   2  23 o 3.236404  0.7084500     13.50764       7.040583  15.22812       7.268771      -0.1873137     1.416900  
1 1 1 6   2  24 o 3.593276  0.8001253     18.52255       9.712895  25.54757       9.047029      -0.8108044     1.600251  
1 1 1 6   2  25 o 2.290092  0.6972350     15.75634       8.568918  5.187525       8.687437      0.6762213      1.394470  
1 1 1 6   4  0  o 20.10509  0.7565927     426.9510       42.85323  386.0250       42.82331      1.021560       1.513185  
1 1 1 6   4  1  o 13.77503  0.5517111     197.5645       23.11423  185.2602       20.00599      0.4366366      1.103422  
1 1 1 6   4  2  o 28.08976  0.9805147     844.0176       77.63712  746.9707       77.52958      1.733205       1.961029  
1 1 1 6   4  3  o 19.99284  0.7214072     372.4703       40.55481  431.2364       40.64884      -1.475214      1.442814  
1 1 1 6   4  4  o 25.48911  0.9256703     674.6457       66.52859  637.0211       66.45808      0.7400286      1.851341  
1 1 1 6   4  5  f 19.75101  0.7124315     372.1739       39.60419  413.1176       39.67155      -1.039915      1.424863  
1 1 1 6   4  6  o 29.58442  1.085830      851.0859       90.42834  927.0804       90.56815      -1.288012      2.171660  
1 1 1 6   4  7  o 32.15858  1.208353      1021.735       109.4336  1097.682       109.5041      -1.184342      2.416706  
1 1 1 6   4  8  o 25.77410  0.9455471     657.6575       68.65891  699.6880       68.68624      -0.8177179     1.891094  
1 1 1 6   4  9  o 8.231812  0.3203363     66.04895       7.423761  70.19243       7.430906      -0.2525070     0.6406726 
1 1 1 6   4  10 o 5.652713  0.2493709     31.31360       3.966988  32.92894       3.965464      -0.1435085     0.4987417 
1 1 1 6   4  11 o 14.22426  0.5295363     192.6600       21.18330  215.7213       21.23782      -0.8133569     1.059073  
1 1 1 6   4  12 o 9.393967  0.3681553     86.11157       9.718716  91.40779       9.762788      -0.2826069     0.7363105 
1 1 1 6   4  13 o 20.07594  0.7500293     394.3367       42.35957  423.6088       42.48144      -0.7305848     1.500059  
1 1 1 6   4  14 o 28.18528  1.055254      799.9857       83.79554  836.8589       83.82275      -0.6558707     2.110507  
1 1 1 6   4  15 o 22.99166  1.131137      473.5869       65.82747  640.3179       80.92661      -3.424922      2.262273  
1 1 1 6   4  16 o 7.724181  0.4914674     48.71531       10.21559  72.89397       10.80028      -1.578180      0.9829347 
1 1 1 6   4  17 o 11.23285  0.6402748     105.2563       19.63064  154.5931       20.27501      -2.210238      1.280550  
1 1 1 6   4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   4  19 o 10.41852  0.6467462     93.27081       18.21421  136.0446       19.13407      -2.050045      1.293492  
1 1 1 6   4  20 o 15.44855  1.015650      261.7769       43.41927  305.7989       44.10197      -1.394645      2.031300  
1 1 1 6   4  21 o 3.355927  0.7911162     12.23196       7.934277  14.74761       9.890580      -0.2628527     1.582232  
1 1 1 6   4  22 o 4.054667  0.8208198     21.84832       8.971396  22.49550       11.32635      0.1243967      1.641640  
1 1 1 6   4  23 o 1.886103  0.6426308     -6.859526      8.762981  -6.445521      11.79319      -0.2781671     1.285262  
1 1 1 6   4  24 o 3.235602  0.8452615     14.48878       10.53108  27.98454       10.96406      -1.037530      1.690523  
1 1 1 6   4  25 o 1.879466  0.6184486     14.06114       9.353599  -8.428069      9.093276      0.8960737      1.236897  
1 1 1 6   6  0  f 57.76114  1.999303      3799.715       324.9206  3099.087       324.3499      6.086385       3.998606  
1 1 1 6   6  1  o 29.94342  1.048993      915.7089       88.57960  897.9379       88.54482      0.2973609      2.097986  
1 1 1 6   6  2  o 42.45815  1.604697      1941.741       207.1484  1768.685       179.2593      1.885768       3.209393  
1 1 1 6   6  3  o 10.23187  0.3666650     103.6699       10.56486  106.4892       10.58718      -0.1380570     0.7333300 
1 1 1 6   6  4  o 36.35009  1.352111      1395.574       138.5699  1302.816       138.3750      1.279011       2.704221  
1 1 1 6   6  5  o 23.34245  0.8718302     536.4582       57.32033  565.9166       57.36359      -0.6327868     1.743660  
1 1 1 6   6  6  o 9.187471  0.3504633     87.05878       9.061014  82.47779       9.081407      0.2502372      0.7009267 
1 1 1 6   6  7  o 12.89741  0.4876424     159.6416       17.70099  175.2904       17.72470      -0.6087807     0.9752848 
1 1 1 6   6  8  o 15.01197  0.5647107     225.9587       23.89710  229.7611       23.88454      -0.1271031     1.129421  
1 1 1 6   6  9  o 8.817907  0.3442723     79.66146       8.565496  76.82939       8.538662      0.1609262      0.6885446 
1 1 1 6   6  10 o 13.40917  0.5078344     179.5265       19.18065  183.7163       19.19795      -0.1565709     1.015669  
1 1 1 6   6  11 o 26.04172  0.9808530     687.7818       71.96710  704.9255       71.99644      -0.3298455     1.961706  
1 1 1 6   6  12 o 12.09140  0.4685139     146.7670       15.94325  147.9639       15.98014      -0.4942339E-01 0.9370278 
1 1 1 6   6  13 o 36.34876  1.406561      1312.003       143.7491  1455.080       144.1284      -1.971382      2.813122  
1 1 1 6   6  14 o 10.14759  0.3824190     98.66261       10.89313  108.5144       10.96536      -0.4867192     0.7648380 
1 1 1 6   6  15 o 9.677739  0.3995135     94.94816       10.85434  94.04147       10.92221      0.4755419E-01  0.7990269 
1 1 1 6   6  16 o 4.256448  0.3759749     15.65876       4.330781  21.14393       4.461364      -0.6566151     0.7519498 
1 1 1 6   6  17 o 11.59178  0.4433739     133.1593       14.40197  139.6038       14.55842      -0.2769396     0.8867478 
1 1 1 6   6  18 o 2.144123  0.5616821     -0.7142406     4.820336  7.052074       5.071211      -0.9199688     1.123364  
1 1 1 6   6  19 o 3.819709  0.5425668     18.12235       5.588448  12.60991       5.801981      0.7339647      1.085134  
1 1 1 6   6  20 o 8.831887  0.4343526     83.56934       10.69449  79.07407       10.86620      0.2621031      0.8687052 
1 1 1 6   6  21 o 1.777518  0.5684713     -4.373344      5.998101  0.2792789      6.441749      -0.3629429     1.136943  
1 1 1 6   6  22 o 2.458269  0.6732807     8.686000       6.649262  3.838652       7.013013      0.4430743      1.346561  
1 1 1 6   6  23 o 2.778536  1.355594      ?              ?         8.904493       24.57784      ?              ?         
1 1 1 6   6  24 o 5.407872  0.7466455     41.72490       9.975821  52.83567       12.41088      -0.3380121     1.493291  
1 1 1 6   8  0  o 19.25496  0.7539210     355.8862       44.11401  388.1451       38.24015      -0.8686867     1.507842  
1 1 1 6   8  1  f 22.60701  0.8908121     523.9006       53.07996  507.7493       61.25231      0.3973855      1.781624  
1 1 1 6   8  2  o 10.23363  0.3724375     107.1196       10.73932  103.1648       10.74584      0.1938048      0.7448750 
1 1 1 6   8  3  o 19.33746  0.7140526     406.1230       38.87273  347.5158       38.84008      1.521681       1.428105  
1 1 1 6   8  4  o 9.624031  0.3575158     96.99921       9.704085  88.93359       9.680549      0.4203921      0.7150316 
1 1 1 6   8  5  o 31.95589  1.224208      1080.602       110.2392  1020.251       110.1697      0.9468859      2.448416  
1 1 1 6   8  6  f 23.92040  0.8739022     600.1046       58.88867  566.2469       58.92794      0.7102336      1.747804  
1 1 1 6   8  7  o 16.30799  0.5971510     259.5350       27.41746  278.5113       27.46136      -0.5833717     1.194302  
1 1 1 6   8  8  o 22.63060  0.8468029     535.4025       54.02951  512.7363       53.97189      0.5017527      1.693606  
1 1 1 6   8  9  o 24.84772  0.9360437     634.2628       65.55547  635.0591       65.53985      -0.1623785E-01 1.872087  
1 1 1 6   8  10 o 22.56413  0.8399552     519.1379       53.41241  520.3762       53.42338      -0.2741824E-01 1.679910  
1 1 1 6   8  11 f 16.31624  0.6218069     258.3310       28.54705  279.9482       28.60400      -0.6644363     1.243614  
1 1 1 6   8  12 o 4.741405  0.2930001     21.57609       3.850565  23.78047       3.923262      -0.2336252     0.5860002 
1 1 1 6   8  13 o 33.72641  1.254796      1135.370       119.1194  1234.534       119.3013      -1.473097      2.509592  
1 1 1 6   8  14 o 16.78914  0.6287818     275.7546       29.76191  296.1461       29.71868      -0.6097380     1.257564  
1 1 1 6   8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   8  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   8  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   8  18 o 8.781984  0.4086207     75.90927       9.957954  81.76370       10.22358      -0.3296918     0.8172414 
1 1 1 6   8  19 o 6.141326  0.4294371     36.88422       7.160414  41.56046       7.558198      -0.3714602     0.8588742 
1 1 1 6   8  20 o 4.753162  0.5253304     24.12703       6.640311  25.08492       7.039281      -0.7823597E-01 1.050661  
1 1 1 6   8  21 o 2.545326  0.6700945     9.658199       6.481017  3.168068       6.988249      0.6227706      1.340189  
1 1 1 6   8  22 o 2.767114  0.7167690     8.210621       7.099751  11.84752       7.655397      -0.3685045     1.433538  
1 1 1 6   8  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   8  24 o 3.303521  0.8127900     23.68912       9.046272  22.19410       9.714253      0.2725958      1.625580  
1 1 1 6   10 0  f 6.790852  0.2707946     43.55810       5.178771  48.94261       5.171853      -0.3982481     0.5415892 
1 1 1 6   10 1  o 5.102382  0.2251671     30.92335       3.170394  21.46410       3.222172      0.9343741      0.4503341 
1 1 1 6   10 2  o 20.13175  0.7371034     454.2191       41.72120  365.8319       41.65672      2.204959       1.474207  
1 1 1 6   10 3  o 11.33008  0.4223501     144.1120       13.45487  114.1458       13.41481      1.328578       0.8447002 
1 1 1 6   10 4  o 36.32892  1.467910      1528.870       161.5977  1263.087       139.6704      3.384228       2.935819  
1 1 1 6   10 5  o 8.144122  0.3243605     71.18181       7.431595  62.04804       7.432371      0.5633726      0.6487210 
1 1 1 6   10 6  o 14.38905  0.5229654     224.8186       21.19013  193.0484       21.16898      1.108358       1.045931  
1 1 1 6   10 7  o 17.17586  0.6408544     298.0780       31.00845  300.7072       31.03693      -0.7652128E-01 1.281709  
1 1 1 6   10 8  o 17.30536  0.6558335     311.7583       31.99417  295.8470       31.95792      0.4609167      1.311667  
1 1 1 6   10 9  o 12.23576  0.4768275     151.5712       16.43481  150.4732       16.44142      0.4505245E-01  0.9536551 
1 1 1 6   10 10 o 20.28776  0.7688027     416.6507       43.94531  420.0504       43.96331      -0.8389393E-01 1.537605  
1 1 1 6   10 11 o 26.78628  1.027269      746.7254       77.54193  726.2878       77.52157      0.3824877      2.054537  
1 1 1 6   10 12 o 22.07646  0.8938701     472.5552       51.86196  529.1075       59.91870      -1.208334      1.787740  
1 1 1 6   10 13 o 7.895361  0.3457650     60.74797       7.682773  64.76595       7.678804      -0.2556065     0.6915299 
1 1 1 6   10 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   10 15 o 2.384551  0.5418264     3.307819       4.053155  7.883775       4.495314      -0.7155364     1.083653  
1 1 1 6   10 16 o 1.968770  0.5468754     -0.4727986     4.451117  4.788823       4.908228      -0.6550760     1.093751  
1 1 1 6   10 17 o 1.823223  0.5501158     2.029971       4.953791  -2.660851      5.344541      0.3360234      1.100232  
1 1 1 6   10 18 o 3.865686  0.5665296     14.50762       5.747418  17.78882       6.238429      -0.4052796     1.133059  
1 1 1 6   10 19 o 5.101459  0.5005871     29.28980       6.782307  25.92325       7.279792      0.3640289      1.001174  
1 1 1 6   10 20 o 2.447855  0.6398579     10.69365       6.381510  -1.878056      7.042739      1.113142       1.279716  
1 1 1 6   10 21 o 3.651072  0.6882287     20.99775       7.254062  11.88525       7.959704      1.110534       1.376457  
1 1 1 6   10 22 o 2.129789  0.6657961     0.7513514      7.533548  5.101058       8.381919      -0.3315906     1.331592  
1 1 1 6   10 23 o 2.713961  0.7555854     7.696117       8.523599  19.48360       9.365953      -0.8937748     1.511171  
1 1 1 6   10 24 o 1.950756  0.6538290     3.501935       9.209942  6.754118       10.12090      -0.1380764     1.307658  
1 1 1 6   12 0  o 14.10622  0.5620472     216.2072       24.05506  188.1114       20.81159      0.9736062      1.124094  
1 1 1 6   12 1  f 3.701820  0.2070804     17.05882       1.928044  10.49805       2.241196      0.9040063      0.4141608 
1 1 1 6   12 2  f 14.97833  0.5639722     249.8982       23.75807  203.5686       23.71551      1.553626       1.127944  
1 1 1 6   12 3  f 21.75506  0.7958182     574.1057       48.32967  395.8293       48.13959      4.116339       1.591636  
1 1 1 6   12 4  o 14.20976  0.4923257     221.0907       19.71837  186.1574       19.65719      1.233568       0.9846514 
1 1 1 6   12 5  o 11.29099  0.4299604     139.8090       13.66052  116.9404       13.64149      1.017296       0.8599209 
1 1 1 6   12 6  o 15.60127  0.6059970     267.0870       26.60637  225.4672       26.56635      1.339903       1.211994  
1 1 1 6   12 7  o 7.461007  0.3034312     59.89579       6.366838  51.88587       6.367974      0.5394219      0.6068624 
1 1 1 6   12 8  o 30.76630  1.132071      996.7634       98.16215  958.6656       98.15756      0.6209255      2.264141  
1 1 1 6   12 9  o 14.16590  0.5565352     211.4598       22.20271  193.4963       22.19301      0.6364657      1.113070  
1 1 1 6   12 10 o 5.175121  0.2883854     29.65564       4.142492  24.12087       4.206606      0.5407898      0.5767708 
1 1 1 6   12 11 o 16.92289  0.6475375     292.8429       30.86806  287.6968       30.88802      0.1526561      1.295075  
1 1 1 6   12 12 f 19.88845  0.7595719     416.2260       42.61318  390.7403       42.49724      0.6417642      1.519144  
1 1 1 6   12 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   12 14 o 12.94612  0.5107521     178.4318       18.60996  161.6299       18.61936      0.6516909      1.021504  
1 1 1 6   12 15 o 5.079049  0.4224301     32.98071       5.644618  19.49344       5.940633      1.372286       0.8448602 
1 1 1 6   12 16 o 3.892527  0.5395370     17.58685       5.461158  13.86041       6.121676      0.5029706      1.079074  
1 1 1 6   12 17 o 6.542393  0.4248499     45.39206       7.540588  42.63139       8.022293      0.2260477      0.8496999 
1 1 1 6   12 18 o 4.891391  0.5207083     26.77063       6.714684  24.09255       7.270514      0.3090304      1.041417  
1 1 1 6   12 19 o 2.246312  0.6477381     -0.1006277     6.492429  6.294620       6.934648      -0.5998996     1.295476  
1 1 1 6   12 20 o 2.409491  0.6867250     3.332053       6.900135  7.223744       7.641902      -0.3913484     1.373450  
1 1 1 6   12 21 o 7.439375  0.5292594     62.58141       10.69807  67.62978       11.28417      -0.2724580     1.058519  
1 1 1 6   12 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   12 23 o 1.915588  0.6453049     -1.078814      9.085649  5.342089       10.27042      -0.2830721     1.290610  
1 1 1 6   14 0  o 3.018095  0.2101570     12.33450       1.789668  6.348303       1.641187      1.005956       0.4203141 
1 1 1 6   14 1  o 11.22422  0.4091822     145.8177       12.87467  108.3378       12.84134      1.677526       0.8183643 
1 1 1 6   14 2  o 7.930979  0.3058974     80.20715       6.713716  47.73666       6.647351      2.058321       0.6117947 
1 1 1 6   14 3  o 13.98400  0.5062281     226.0251       19.86296  169.2728       19.79295      2.038412       1.012456  
1 1 1 6   14 4  o 9.738564  0.3617759     110.1950       9.881626  80.95185       9.833648      1.508698       0.7235518 
1 1 1 6   14 5  o 1.524269  0.3384504     4.991932       2.300564  -1.807755      1.926553      1.265496       0.6769007 
1 1 1 6   14 6  f 25.58498  0.9801490     721.1268       70.61329  619.2934       70.48847      1.997913       1.960298  
1 1 1 6   14 7  o 13.94736  0.5617909     202.3741       20.65532  188.8081       23.79721      0.5101715      1.123582  
1 1 1 6   14 8  o 19.06066  0.7262376     377.7640       38.98957  359.2621       39.00912      0.4870678      1.452475  
1 1 1 6   14 9  o 22.18148  0.8500233     521.7880       53.09327  481.4777       53.11277      0.9121556      1.700047  
1 1 1 6   14 10 o 6.434351  0.3207358     44.48310       5.768958  38.75874       5.814733      0.4483686      0.6414715 
1 1 1 6   14 11 o 24.11347  0.9114089     624.5995       62.00047  572.6483       61.79698      1.078701       1.822818  
1 1 1 6   14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   14 13 f 20.38214  1.038470      407.9287       66.27148  463.5528       54.01531      -1.638994      2.076940  
1 1 1 6   14 14 o 11.49689  0.4713431     130.9344       15.19867  138.0588       15.31703      -0.3093786     0.9426861 
1 1 1 6   14 15 o 2.380541  0.6263823     5.407960       5.386115  3.605125       5.983540      0.1371233      1.252765  
1 1 1 6   14 16 o 9.833990  0.4604512     102.8199       12.59719  96.28622       12.86755      0.3404801      0.9209024 
1 1 1 6   14 17 o 5.233051  0.5180064     30.18654       7.156885  27.88230       7.787589      0.2554980      1.036013  
1 1 1 6   14 18 o 4.665868  0.5946639     28.82295       7.229059  18.50135       8.051585      1.185651       1.189328  
1 1 1 6   14 19 o 2.741478  0.7253298     7.244910       7.093738  9.646888       8.140455      -0.2735974     1.450660  
1 1 1 6   14 20 o 3.856415  0.7526899     21.24487       8.117689  19.22959       9.035892      0.3250439      1.505380  
1 1 1 6   14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   14 22 o 2.246631  0.7083973     -0.1575797     9.225063  16.97921       10.50726      -0.8904674     1.416795  
1 1 1 6   16 0  o 15.89913  0.6496076     263.6462       31.38921  250.1334       27.21049      0.3954710      1.299215  
1 1 1 6   16 1  o 16.72349  0.5990067     326.6459       28.08043  239.7917       27.97781      2.608409       1.198013  
1 1 1 6   16 2  o 4.757021  0.2636618     25.65548       3.466289  19.76360       3.536695      0.6267815      0.5273237 
1 1 1 6   16 3  o 15.13164  0.5536229     259.5905       23.53140  202.6817       23.48338      1.889085       1.107246  
1 1 1 6   16 4  o 6.119755  0.2577950     40.07844       4.463577  35.11357       4.409889      0.4072106      0.5155900 
1 1 1 6   16 5  o 12.89237  0.5089979     178.8144       18.47195  156.0746       18.45557      0.8858204      1.017996  
1 1 1 6   16 6  o 30.20872  1.130881      964.9703       96.30247  918.6647       96.21833      0.7679737      2.261762  
1 1 1 6   16 7  o 13.15994  0.5136616     191.5666       19.02061  157.6861       18.97154      1.293358       1.027323  
1 1 1 6   16 8  o 15.61912  0.6228963     268.7169       27.37010  225.2670       27.32672      1.397602       1.245793  
1 1 1 6   16 9  o 11.82974  0.5093418     137.6938       15.84766  146.5590       18.32462      -0.3544686     1.018684  
1 1 1 6   16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   16 11 o 2.622873  0.5302779     11.11073       4.567232  1.948986       4.607095      1.298266       1.060556  
1 1 1 6   16 12 o 9.022898  0.4158371     88.59495       10.57138  76.21233       10.50406      0.6895038      0.8316743 
1 1 1 6   16 13 o 6.753338  0.6180056     44.26538       12.14052  50.04213       10.96680      -0.4690544     1.236011  
1 1 1 6   16 14 o 2.957242  0.6266110     11.57832       5.618477  6.012637       6.106867      0.7031341      1.253222  
1 1 1 6   16 15 o 3.162474  0.6569511     7.639672       6.088624  13.97560       6.680683      -0.8177304     1.313902  
1 1 1 6   16 16 o 5.876697  0.5220467     47.21129       7.947169  25.81787       8.392402      1.898376       1.044093  
1 1 1 6   16 17 o 6.190928  0.5210073     40.11568       8.611966  43.11453       9.310102      -0.2044126     1.042015  
1 1 1 6   16 18 o 2.430708  0.6868589     -2.950874      7.502717  12.07687       8.609002      -1.239941      1.373718  
1 1 1 6   16 19 o 8.008067  0.5684590     83.95787       12.31955  66.23983       12.91446      1.196420       1.136918  
1 1 1 6   16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   16 21 o 2.458248  0.7660238     7.119833       9.622975  16.30459       11.38993      -0.4761427     1.532048  
1 1 1 6   16 22 o 1.635823  0.5788039     -5.277986      10.73120  -11.75529      11.92488      0.6909115E-01  1.157608  
1 1 1 6   18 0  o 1.466157  0.3792133     2.573770       2.141347  0.7512075      2.074959      0.3548561      0.7584266 
1 1 1 6   18 1  o 6.877354  0.3074433     55.52022       5.459635  39.30330       6.269672      1.196836       0.6148865 
1 1 1 6   18 2  o 14.86712  0.5599450     256.3474       23.33000  190.7819       23.27540      2.216121       1.119890  
1 1 1 6   18 3  o 3.278383  0.2853434     13.90053       2.407681  7.778561       2.604987      0.9679988      0.5706868 
1 1 1 6   18 4  o 19.45201  0.7117598     446.7873       38.81302  323.7715       38.59833      3.175931       1.423520  
1 1 1 6   18 5  o 9.138991  0.4037919     97.15598       9.502958  70.47572       11.02000      1.485943       0.8075837 
1 1 1 6   18 6  o 24.31504  0.9427469     639.0877       64.55940  578.4011       64.51916      1.252449       1.885494  
1 1 1 6   18 7  o 4.554901  0.3490953     20.56365       4.340385  21.61203       4.513828      -0.1135762     0.6981905 
1 1 1 6   18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   18 9  o 13.51742  0.5402569     202.3409       20.59060  168.7041       20.46048      1.249019       1.080514  
1 1 1 6   18 10 o 10.15963  0.4643207     111.9742       14.14658  98.55507       12.48886      0.6418266      0.9286413 
1 1 1 6   18 11 o 3.036154  0.5876603     14.31086       5.630704  4.233593       5.548241      1.342670       1.175321  
1 1 1 6   18 12 o 3.836092  1.174261      15.75678       9.852279  ?              ?             ?              ?         
1 1 1 6   18 13 o 14.59383  0.6354033     240.7819       26.15057  205.5178       25.95583      1.209530       1.270807  
1 1 1 6   18 14 o 13.20121  0.5896114     192.7921       21.97202  175.4701       21.80100      0.6533291      1.179223  
1 1 1 6   18 15 o 2.389982  0.6805186     1.411568       6.671265  6.516264       7.752893      -0.5577291     1.361037  
1 1 1 6   18 16 o 2.760300  0.7319883     9.860538       7.470629  4.903589       8.364805      0.4099355      1.463977  
1 1 1 6   18 17 o 7.111398  0.5530466     60.82438       10.60342  52.95062       11.24793      0.6210586      1.106093  
1 1 1 6   18 18 o 4.088373  0.7824813     15.28533       9.013786  32.35829       10.29568      -1.623437      1.564963  
1 1 1 6   18 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   18 20 o 1.914219  0.6491674     -13.63631      10.36584  10.83552       11.94297      -0.8321345     1.298335  
1 1 1 6   18 21 o 1.722070  0.6093660     -10.78065      11.76434  -0.2862583     13.00183      -0.2434129     1.218732  
1 1 1 6   20 0  o 2.768305  0.4439345     9.133460       3.581224  6.949892       3.222627      0.3805898      0.8878690 
1 1 1 6   20 1  o 22.05687  0.9006876     546.1547       51.92386  450.6062       59.94249      2.285010       1.801375  
1 1 1 6   20 2  o 19.61605  0.7381563     435.6328       40.69235  350.3472       40.64054      2.183908       1.476313  
1 1 1 6   20 3  o 8.736139  0.3856374     88.64963       10.14400  66.20491       8.810407      1.278240       0.7712749 
1 1 1 6   20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   20 5  o 25.90471  0.9777920     800.1424       70.99459  601.2093       70.81177      3.856790       1.955584  
1 1 1 6   20 6  o 5.079583  0.3803748     29.06499       5.225039  22.97241       5.497057      0.6161758      0.7607495 
1 1 1 6   20 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   20 8  o 20.69499  0.8282624     464.6692       48.31929  429.7434       48.19843      0.8447780      1.656525  
1 1 1 6   20 9  f 10.32484  0.8166511     130.6121       20.53065  90.17070       25.84652      2.168135       1.633302  
1 1 1 6   20 10 o 7.148303  0.4290691     55.99697       8.664144  48.39455       8.493752      0.5332969      0.8581381 
1 1 1 6   20 11 o 4.961788  0.4972967     25.53907       6.384867  26.04377       7.272353      -0.2086110E-01 0.9945933 
1 1 1 6   20 12 o 8.645711  0.4713362     84.44514       11.37491  70.22490       11.44013      0.8318036      0.9426723 
1 1 1 6   20 13 o 3.114976  0.7030419     6.389071       6.851829  14.87928       7.614599      -0.9915593     1.406084  
1 1 1 6   20 14 o 11.41353  0.5756658     153.5815       18.48898  129.2167       18.34668      1.067624       1.151332  
1 1 1 6   20 15 o 9.344970  0.5361770     101.8187       13.93216  90.39391       14.13155      0.6307329      1.072354  
1 1 1 6   20 16 o 6.121209  0.6129525     45.00390       9.783920  43.60496       10.93768      0.2482204      1.225905  
1 1 1 6   20 17 o 5.348757  0.7539676     40.23043       10.47771  37.85202       11.72541      0.4419526      1.507935  
1 1 1 6   20 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   20 19 o 2.735441  0.8389447     18.87451       11.57778  17.93739       12.56338      0.1129385      1.677889  
1 1 1 6   22 0  o 17.35504  2.190283      343.7450       74.33498  ?              ?             ?              ?         
1 1 1 6   22 1  o 12.56755  0.6605640     189.4347       25.59960  138.2508       21.12906      1.975180       1.321128  
1 1 1 6   22 2  o 9.116759  0.3756557     92.61072       9.531299  75.13435       9.697008      0.9660488      0.7513114 
1 1 1 6   22 3  o 4.047795  0.3556742     11.80344       3.747993  21.82123       4.001303      -1.264877      0.7113484 
1 1 1 6   22 4  o 8.175797  0.4549628     76.04675       8.887252  57.70921       12.10602      1.194771       0.9099257 
1 1 1 6   22 5  o 9.446562  0.4043110     103.9742       10.82835  77.31004       10.54959      1.416306       0.8086219 
1 1 1 6   22 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   22 7  o 9.107345  0.4202837     82.81022       10.76614  86.31159       10.76445      -0.1931407     0.8405674 
1 1 1 6   22 8  o 3.083048  0.6400673     6.023452       6.244838  13.48295       6.154885      -0.9430806     1.280135  
1 1 1 6   22 9  o 6.038399  0.4837250     45.11866       7.555296  29.78418       8.395638      1.333007       0.9674500 
1 1 1 6   22 10 o 3.831652  0.6352413     16.69873       6.502999  15.54306       7.096076      0.1648972      1.270483  
1 1 1 6   22 11 o 7.306279  0.4842653     61.71413       9.611339  49.99638       10.10734      0.8345602      0.9685307 
1 1 1 6   22 12 o 3.721258  0.7179291     14.63940       7.044403  18.22206       8.664227      -0.3625193     1.435858  
1 1 1 6   22 13 o 4.671093  0.7055439     28.11798       8.690984  23.20695       9.586583      0.5965770      1.411088  
1 1 1 6   22 14 o 1.883826  0.6285795     -1.488187      8.403421  -13.14019      9.669193      0.3177590      1.257159  
1 1 1 6   22 15 o 4.169162  0.7769329     33.46302       9.763886  14.15650       10.99975      1.972093       1.553866  
1 1 1 6   22 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   22 17 o 2.865306  0.8381175     23.19299       11.25052  10.01587       12.47469      0.8497695      1.676235  
1 1 1 6   24 0  o 1.580902  0.4985614     -3.225795      4.427754  -0.1863981     4.760026      -0.3066397     0.9971229 
1 1 1 6   24 1  o 4.416305  0.4604669     22.99778       4.938784  16.13824       6.448288      0.8570319      0.9209338 
1 1 1 6   24 2  o 4.721622  0.3721825     26.96569       4.806982  18.44685       4.843604      0.9235349      0.7443651 
1 1 1 6   24 3  o 7.883820  0.3585303     80.40830       7.851731  47.39346       7.687841      2.107280       0.7170606 
1 1 1 6   24 4  o 8.047907  0.3627914     72.60741       8.307836  59.30927       8.080653      0.8267777      0.7255827 
1 1 1 6   24 5  o 3.489564  0.5642130     11.63088       5.663205  14.34587       5.308647      -0.3862405     1.128426  
1 1 1 6   24 6  o 8.319244  0.4800164     79.96909       12.61712  65.52654       10.04849      0.7933073      0.9600328 
1 1 1 6   24 7  o 9.167073  0.5362476     98.49361       12.77962  76.81165       14.69594      1.272496       1.072495  
1 1 1 6   24 8  o 5.992592  0.4960724     39.12634       8.116187  36.91366       8.380182      0.1995430      0.9921447 
1 1 1 6   24 9  o 3.159504  0.6421729     18.81890       6.962981  0.8855988      7.424547      1.905803       1.284346  
1 1 1 6   24 10 o 7.721146  0.5210276     73.88737       11.03664  54.66967       11.25139      1.277917       1.042055  
1 1 1 6   24 11 o 2.963754  0.7704721     9.290162       8.172786  11.06725       8.820758      -0.1847713     1.540944  
1 1 1 6   24 12 f 5.376928  0.6926414     47.94113       9.704085  22.40985       10.84307      2.499482       1.385283  
1 1 1 6   24 13 o 2.183708  0.7066779     1.527424       8.949345  -2.620678      10.96167      0.3644850E-01  1.413356  
1 1 1 6   24 14 o 2.538403  0.8531229     21.01273       20.21534  -6.591236      14.71416      0.9080699      1.706246  
1 1 1 6   24 15 o 2.672138  0.8754827     21.02384       13.77742  -7.368414      26.15690      0.6682962      1.750965  
1 1 1 6   26 0  o 4.190775  0.4757026     20.83147       5.522252  16.39054       5.334542      0.5347436      0.9514053 
1 1 1 6   26 1  o 6.605675  0.4315186     66.32813       8.161858  27.79285       6.999679      2.918243       0.8630372 
1 1 1 6   26 2  o 3.587110  0.5605496     18.74621       5.424062  8.109182       6.404253      1.403754       1.121099  
1 1 1 6   26 3  o 1.652214  0.5008782     0.1594123      4.409545  0.1749016      3.979960      0.7699137E-01  1.001756  
1 1 1 6   26 4  o 6.751921  0.3751269     57.00194       7.259471  37.91518       6.804353      1.411255       0.7502538 
1 1 1 6   26 5  o 4.455790  0.6239924     29.86868       9.848558  17.43451       6.047947      1.126173       1.247985  
1 1 1 6   26 6  o 1.657390  0.5387689     -2.263971      5.649409  -4.457626      5.967899      0.8008288E-01  1.077538  
1 1 1 6   26 7  o 1.556350  0.5301602     -8.240198      6.312570  -9.008670      7.566673      -0.1595267     1.060320  
1 1 1 6   26 8  o 2.408841  0.7015231     8.649978       7.702300  -2.814181      8.980096      0.7060591      1.403046  
1 1 1 6   26 9  o 3.102052  0.8040017     17.03753       9.623035  7.319467       9.547131      0.8436352      1.608003  
1 1 1 6   26 10 o 2.945226  0.8243249     -25.79476      17.55933  24.94968       12.17331      -1.896074      1.648650  
1 1 1 6   26 11 o 4.272961  1.120918      67.17662       21.45316  20.37735       20.36392      2.340923       2.241837  
1 1 1 6   26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   26 13 o 2.544981  0.8838562     -13.78044      25.45562  30.51984       21.74191      -0.7216220     1.767712  
1 1 1 6   28 0  o 3.119847  1.068136      ?              ?         11.94295       8.021900      ?              ?         
1 1 1 6   28 1  o 3.060253  0.8906088     18.54356       15.60711  5.473419       10.42754      0.9620366      1.781218  
1 1 1 6   28 2  o 2.718026  0.8496758     2.127830       12.52112  5.828414       13.24366      -0.2249591     1.699352  
1 1 1 6   28 3  o 2.697417  0.8451981     7.605715       12.54129  -0.5639423     13.41805      0.3403662      1.690396  
1 1 1 6   28 4  o 2.635715  0.8444595     -2.409920      13.64239  6.747059       13.79732      -0.3974261     1.688919  
1 1 1 6   28 5  o 3.515354  0.9984523     20.38893       16.21429  18.89483       14.25208      0.5374930E-01  1.996905  
1 1 1 6   28 6  o 3.028398  0.9480795     2.733117       18.25190  18.13627       15.39943      -0.5806893     1.896159  
1 1 1 6   28 7  o 2.894729  0.9494857     11.12983       20.23382  8.832096       17.11508      0.1207217      1.898971  
1 1 1 6   28 8  o 2.431619  0.8443115     5.597413       21.29506  -15.45600      18.82363      0.4933365      1.688623  
1 1 1 6   28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   28 10 o 3.316784  0.9348155     25.23552       13.49030  25.65291       12.92355      -0.8553255E-01 1.869631  
1 1 1 6   30 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   30 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 6   30 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   1  0  o 26.99373  3.071303      759.6915       162.8666  ?              ?             ?              ?         
1 1 1 7   1  1  o 15.86423  1.216583      254.3597       38.30569  ?              ?             ?              ?         
1 1 1 7   1  2  o 15.47928  1.187175      242.1443       36.47266  ?              ?             ?              ?         
1 1 1 7   1  3  o 30.74426  1.541577      842.5245       132.3575  1085.001       132.7653      -3.974716      3.083154  
1 1 1 7   1  4  o 46.02937  2.529469      2048.153       325.8878  2412.725       326.1664      -3.992644      5.058937  
1 1 1 7   1  5  o 34.74682  1.804794      1065.364       174.7259  1427.590       175.2043      -5.258321      3.609588  
1 1 1 7   1  6  o 55.65977  3.142444      2950.265       486.1783  3914.484       487.9823      -8.734892      6.284888  
1 1 1 7   1  7  o 34.93782  1.938821      1128.036       188.9736  1445.090       189.2975      -4.580415      3.877643  
1 1 1 7   1  8  o 27.93413  1.563315      734.9705       122.0471  902.8961       122.1642      -3.033707      3.126630  
1 1 1 7   1  9  o 11.81913  0.6521222     124.8405       21.52667  158.3874       21.55064      -1.432998      1.304244  
1 1 1 7   1  10 o 16.61016  0.7064576     278.1386       40.43240  282.2478       28.61528      -0.2380085     1.412915  
1 1 1 7   1  11 o 46.50409  1.807432      2236.913       236.4406  2489.923       236.7614      -2.725727      3.614864  
1 1 1 7   1  12 o 20.76060  0.7750538     433.1621       45.33693  443.7492       45.35744      -0.2555569     1.550108  
1 1 1 7   1  13 o 5.073575  0.2739021     24.10660       3.886659  27.65415       3.903706      -0.3521533     0.5478043 
1 1 1 7   1  14 o 15.96371  0.6087792     260.1418       27.38400  255.5470       27.38625      0.1443626      1.217558  
1 1 1 7   1  15 o 6.606467  0.3237482     44.97127       5.997471  42.96863       6.024428      0.1526030      0.6474965 
1 1 1 7   1  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   1  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   1  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   1  19 o 1.686954  0.5230784     0.4472483      4.822918  -2.576868      4.852477      0.2433078      1.046157  
1 1 1 7   1  20 o 7.406667  0.3973231     51.07449       8.207746  61.91306       8.270178      -0.7361353     0.7946462 
1 1 1 7   1  21 o 2.160471  0.5911257     -1.664466      5.645164  7.606530       5.700258      -0.9166681     1.182251  
1 1 1 7   1  22 o 2.184653  0.6203226     0.2418966      6.077337  6.966547       6.165197      -0.6288265     1.240645  
1 1 1 7   1  23 o 1.909579  0.6056729     0.8504298      6.750556  -0.2079841     6.820073      0.6010314E-01  1.211346  
1 1 1 7   1  24 o 3.095806  0.7029961     22.84164       7.900623  7.268616       7.844989      1.570746       1.405992  
1 1 1 7   1  25 o 1.512338  0.5286774     -6.171530      8.293075  -8.390494      8.323770      0.5804798E-01  1.057355  
1 1 1 7   3  0  o 41.92548  1.571608      1774.834       185.6820  1809.244       185.7049      -0.4114648     3.143216  
1 1 1 7   3  1  o 15.32287  0.6107717     234.9218       24.66026  237.7481       28.47590      -0.7957808E-01 1.221543  
1 1 1 7   3  2  o 38.65244  1.340874      1490.630       146.1204  1542.264       146.1370      -0.6695929     2.681749  
1 1 1 7   3  3  o 24.91853  0.8829302     613.9619       61.98800  638.0966       62.05700      -0.4853562     1.765860  
1 1 1 7   3  4  o 36.60752  1.359819      1338.983       140.2679  1389.751       140.3039      -0.6953113     2.719638  
1 1 1 7   3  5  o 7.873507  0.2831518     58.73822       6.282553  65.51452       6.277235      -0.4319040     0.5663036 
1 1 1 7   3  6  o 53.16946  1.931818      2765.176       288.8674  3143.799       289.5375      -3.568655      3.863637  
1 1 1 7   3  7  o 65.15860  2.643090      4524.236       484.5532  4889.873       485.0313      -2.810155      5.286180  
1 1 1 7   3  8  f 30.08492  1.154203      896.6523       97.75974  969.2283       97.83729      -1.209817      2.308407  
1 1 1 7   3  9  o 31.18697  1.170911      996.7666       102.9079  1026.450       102.9061      -0.4773345     2.341823  
1 1 1 7   3  10 o 13.49653  0.5767630     151.2940       18.30224  223.3024       25.99683      -2.606790      1.153526  
1 1 1 7   3  11 o 12.84748  0.6966364     139.5719       24.81823  196.4608       24.97101      -2.235795      1.393273  
1 1 1 7   3  12 o 17.41639  0.9382128     249.2801       45.10891  374.1236       45.37947      -3.620072      1.876426  
1 1 1 7   3  13 o 15.28289  0.8375518     190.2112       35.29030  287.5895       35.54995      -3.219042      1.675104  
1 1 1 7   3  14 o 25.45878  1.414759      569.6841       99.90560  795.8432       100.3182      -4.485204      2.829517  
1 1 1 7   3  15 o 21.03281  1.186391      384.5646       69.17135  542.5457       69.43192      -3.794857      2.372781  
1 1 1 7   3  16 o 7.702635  0.5704939     50.57940       10.33125  73.45160       14.60571      -1.427160      1.140988  
1 1 1 7   3  17 o 7.548481  0.5329826     32.47962       9.798094  89.68375       10.84644      -3.841052      1.065965  
1 1 1 7   3  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   3  19 o 9.830929  0.5981876     83.69579       15.74875  119.2526       16.95277      -1.793345      1.196375  
1 1 1 7   3  20 o 9.332849  0.4598374     79.80119       12.63429  100.5773       11.40458      -1.166221      0.9196748 
1 1 1 7   3  21 o 3.115699  0.6328281     8.989173       5.838500  13.13449       6.021546      -0.5508144     1.265656  
1 1 1 7   3  22 o 4.891866  0.5306078     30.69564       6.957316  22.91938       7.191065      0.8432905      1.061216  
1 1 1 7   3  23 o 2.426839  0.6675779     10.62891       6.820329  2.972321       7.020701      0.6967187      1.335156  
1 1 1 7   3  24 o 1.950487  0.6236011     6.292081       7.556888  -2.588655      7.734082      0.4867730      1.247202  
1 1 1 7   3  25 o 1.969885  0.6306048     -3.958905      8.367036  14.71901       8.799364      -0.9146382     1.261210  
1 1 1 7   5  0  o 19.07954  0.7670150     381.5837       44.49356  354.8087       38.51670      0.6811818      1.534030  
1 1 1 7   5  1  o 36.58343  1.349258      1312.160       139.0323  1407.912       139.1161      -1.312607      2.698515  
1 1 1 7   5  2  o 36.62954  1.276971      1362.263       142.4466  1363.263       123.3798      -0.9800987E-01 2.553942  
1 1 1 7   5  3  o 46.55247  1.650100      2180.550       216.4030  2267.443       216.6879      -0.9342028     3.300200  
1 1 1 7   5  4  o 13.24118  0.4946640     168.0844       18.44113  184.0508       18.45714      -0.6050237     0.9893280 
1 1 1 7   5  5  o 22.51950  0.8243979     531.1553       52.34838  492.9839       52.26811      0.8499361      1.648796  
1 1 1 7   5  6  o 21.98724  0.8088015     465.1160       50.04710  512.4094       50.13665      -1.078846      1.617603  
1 1 1 7   5  7  o 10.72697  0.3952180     112.5385       11.92811  118.8186       11.96536      -0.2934265     0.7904360 
1 1 1 7   5  8  o 13.60034  0.5202056     177.3923       19.90251  195.7306       19.94248      -0.6765118     1.040411  
1 1 1 7   5  9  o 9.821719  0.3783058     96.41090       10.46913  97.87991       10.46970      -0.7500865E-01 0.7566115 
1 1 1 7   5  10 o 20.62930  0.7712438     427.7588       44.83273  440.2284       44.84200      -0.3030361     1.542488  
1 1 1 7   5  11 o 13.59185  0.5124040     181.7314       19.60925  191.1243       19.63685      -0.3464517     1.024808  
1 1 1 7   5  12 o 19.18771  0.7099731     359.4865       38.35328  386.7949       38.40775      -0.7135891     1.419946  
1 1 1 7   5  13 o 8.013749  0.3360079     62.67439       7.570441  66.47995       7.588675      -0.2382640     0.6720158 
1 1 1 7   5  14 o 23.25180  0.8780869     538.0016       57.49435  568.0413       57.55322      -0.6475031     1.756174  
1 1 1 7   5  15 o 10.56227  0.4557872     105.3781       12.60647  121.1955       14.63113      -0.7332216     0.9115744 
1 1 1 7   5  16 o 23.90049  0.9042127     576.8665       60.87450  609.7275       60.89761      -0.6893544     1.808425  
1 1 1 7   5  17 o 6.119508  0.3533061     44.89288       5.943008  30.90576       6.038505      1.158751       0.7066123 
1 1 1 7   5  18 o 8.965374  0.4670501     87.64803       11.67908  76.50883       11.80928      0.6284277      0.9341002 
1 1 1 7   5  19 o 15.18698  0.6002549     239.6546       25.58875  244.7961       25.77286      -0.1643262     1.200510  
1 1 1 7   5  20 f 11.31210  0.6280949     106.6364       17.54243  174.8632       22.26779      -2.808477      1.256190  
1 1 1 7   5  21 o 2.904104  0.7656953     6.963705       7.412245  12.18822       9.808178      -0.5780370     1.531391  
1 1 1 7   5  22 f 5.308742  0.7493916     28.52559       9.516063  45.37060       12.38863      -1.209719      1.498783  
1 1 1 7   5  23 o 2.798037  0.8086678     14.55163       9.339451  6.985221       12.33295      0.4908876      1.617336  
1 1 1 7   5  24 o 2.798378  0.8320121     9.684268       9.687016  29.50422       13.76081      -0.9467360     1.664024  
1 1 1 7   7  0  o 29.16608  1.085931      911.6244       89.22412  811.5635       89.14314      1.721690       2.171862  
1 1 1 7   7  1  o 32.50092  1.196541      1074.033       109.6138  1073.955       109.6161      0.1212105E-02  2.393082  
1 1 1 7   7  2  o 24.27054  0.8673015     608.5007       59.35448  581.3583       59.31370      0.5605752      1.734603  
1 1 1 7   7  3  o 30.28018  1.089852      951.0544       93.00554  911.3310       93.03114      0.6579393      2.179705  
1 1 1 7   7  4  o 11.15403  0.3935871     130.1098       12.37769  119.6164       12.36507      0.4718330      0.7871743 
1 1 1 7   7  5  o 12.10223  0.4205227     161.3496       14.35008  132.8786       14.27790      1.180679       0.8410455 
1 1 1 7   7  6  o 17.11019  0.6413796     291.2003       30.90778  300.6750       30.94346      -0.2774790     1.282759  
1 1 1 7   7  7  o 14.13947  0.5338573     197.6905       21.24362  206.0328       21.29551      -0.2955663     1.067715  
1 1 1 7   7  8  o 7.886389  0.3153261     59.52143       6.975821  65.50712       7.024695      -0.3806839     0.6306522 
1 1 1 7   7  9  o 9.527253  0.3727838     90.96287       10.00585  91.86610       10.00652      -0.4754643E-01 0.7455675 
1 1 1 7   7  10 o 6.059834  0.2678312     34.37646       4.544399  39.38437       4.579016      -0.4151520     0.5356625 
1 1 1 7   7  11 o 23.83499  0.9030034     573.7960       60.63247  587.3541       60.66937      -0.2849441     1.806007  
1 1 1 7   7  12 f 33.13939  1.255324      1115.352       117.1632  1164.082       117.2659      -0.7364327     2.510649  
1 1 1 7   7  13 o 26.02899  0.9818425     679.4212       71.98192  710.9394       72.03618      -0.6068268     1.963685  
1 1 1 7   7  14 o 8.931400  0.3760516     79.00949       9.436097  81.74796       9.475362      -0.1535871     0.7521033 
1 1 1 7   7  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   7  16 o 21.06570  2.024061      500.5576       117.1145  574.7155       117.2436      -1.796143      4.048122  
1 1 1 7   7  17 o 5.118623  0.3921501     30.08584       5.422276  22.94076       5.687563      0.7183171      0.7843003 
1 1 1 7   7  18 f 4.691633  0.4354464     23.74658       5.480525  21.63886       5.799433      0.2393444      0.8708929 
1 1 1 7   7  19 o 15.41928  0.6060642     232.4960       26.12969  270.8369       26.43909      -1.238054      1.212128  
1 1 1 7   7  20 o 9.613211  0.4461425     95.54842       11.92475  98.63561       12.20515      -0.1499431     0.8922849 
1 1 1 7   7  21 o 2.703561  0.6604273     4.970533       6.133752  11.47313       6.547213      -0.7607334     1.320855  
1 1 1 7   7  22 o 2.473953  0.6614441     1.502553       6.607717  12.20329       7.152249      -1.035933      1.322888  
1 1 1 7   7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   7  24 o 1.792559  0.6028998     -2.814817      8.019542  1.983942       8.735916      -0.2383214     1.205800  
1 1 1 7   9  0  o 14.02081  0.5689988     198.6286       24.26726  197.7127       21.02056      0.1685087E-01  1.137998  
1 1 1 7   9  1  o 8.502180  0.3103208     74.49295       7.433756  70.59284       7.437159      0.2300748      0.6206416 
1 1 1 7   9  2  o 5.975528  0.2232308     40.41983       3.764201  31.26716       3.720529      0.7692766      0.4464615 
1 1 1 7   9  3  o 34.89663  1.297370      1350.587       127.4479  1156.477       127.3317      2.792272       2.594741  
1 1 1 7   9  4  o 21.61832  0.8010976     499.9944       48.79148  448.0089       48.75150      1.206646       1.602195  
1 1 1 7   9  5  o 7.254282  0.2875748     56.67067       5.890101  48.97480       5.847059      0.5325826      0.5751496 
1 1 1 7   9  6  o 14.13614  0.5459955     206.7057       21.74384  197.2175       21.74283      0.3367004      1.091991  
1 1 1 7   9  7  o 21.13377  0.8019916     453.5923       47.73407  458.8648       47.79206      -0.1245553     1.603983  
1 1 1 7   9  8  o 18.38433  0.6771170     327.7633       35.02693  358.4137       35.10686      -0.8358344     1.354234  
1 1 1 7   9  9  o 17.64667  0.6721785     319.1643       33.43836  312.8721       33.41131      0.1786071      1.344357  
1 1 1 7   9  10 o 13.90865  0.5387308     202.4916       21.11592  187.9263       21.09028      0.5253401      1.077462  
1 1 1 7   9  11 o 4.359035  0.2768142     19.19491       3.306921  19.17723       3.450833      0.3909876E-02  0.5536283 
1 1 1 7   9  12 o 15.74117  0.5912651     252.1900       26.22716  248.8740       26.23252      0.1056716      1.182530  
1 1 1 7   9  13 o 8.084398  0.3590887     63.04003       8.134310  68.56267       8.195374      -0.3426958     0.7181774 
1 1 1 7   9  14 o 19.21223  0.7762425     359.3436       39.21291  400.3945       45.27755      -1.001063      1.552485  
1 1 1 7   9  15 o 22.34488  0.8610704     519.2483       54.28858  516.1613       54.14070      0.6703050E-01  1.722141  
1 1 1 7   9  16 o 14.73856  0.5515627     211.3088       22.83055  232.0333       22.96173      -0.7037807     1.103125  
1 1 1 7   9  17 o 2.314109  0.6531085     4.567781       5.174987  -2.242116      9.231419      0.2245469E-01  1.306217  
1 1 1 7   9  18 f 6.721006  0.3983563     46.41060       7.346869  46.36396       7.669617      0.1138541E-01  0.7967126 
1 1 1 7   9  19 o 8.072989  0.4158893     66.57435       9.265961  68.77736       9.603740      -0.1261022     0.8317785 
1 1 1 7   9  20 o 2.722962  0.6639769     7.918735       5.939281  8.233254       6.494011      -0.5843421E-01 1.327954  
1 1 1 7   9  21 o 2.428597  0.6727271     6.092434       6.465896  5.587709       7.011451      0.1461213E-01  1.345454  
1 1 1 7   9  22 o 2.320761  0.6761668     2.286277       7.028146  9.297089       7.730157      -0.5993984     1.352334  
1 1 1 7   9  23 o 2.319763  0.6969727     10.38732       7.868929  3.679178       8.617744      0.4501644      1.393945  
1 1 1 7   9  24 o 2.267059  0.7110104     12.72119       8.827153  8.410412       9.591675      0.2675445      1.422021  
1 1 1 7   11 0  o 25.00628  1.007555      647.7606       66.36353  634.2421       76.67136      0.3699908      2.015109  
1 1 1 7   11 1  o 3.299801  0.1912456     13.70009       1.577826  8.211987       1.838877      0.8492208      0.3824913 
1 1 1 7   11 2  o 7.766427  0.3088520     66.91695       7.262613  54.89311       6.283981      0.7696643      0.6177040 
1 1 1 7   11 3  o 5.383231  0.2432390     30.76534       3.448683  27.08127       3.958395      0.3495207      0.4864780 
1 1 1 7   11 4  o 4.271777  0.2047216     21.70571       2.447980  15.05502       2.420249      0.7846325      0.4094432 
1 1 1 7   11 5  o 9.902278  0.3573684     111.9543       9.954037  85.51635       9.891764      1.340748       0.7147369 
1 1 1 7   11 6  f 25.32386  0.9918304     685.0490       70.74323  637.4896       70.72309      0.9422723      1.983661  
1 1 1 7   11 7  o 42.68888  1.706731      1972.310       205.1931  1978.525       205.2765      -0.7156269E-01 3.413461  
1 1 1 7   11 8  o 13.33826  0.5373173     173.7000       18.84911  187.2285       21.80741      -0.4872008     1.074635  
1 1 1 7   11 9  o 10.56159  0.4232045     119.1428       12.58174  105.2645       12.57257      0.6599296      0.8464090 
1 1 1 7   11 10 o 19.23296  0.7437276     388.7582       40.30164  361.8579       40.27262      0.7016269      1.487455  
1 1 1 7   11 11 o 27.48845  1.050244      779.7408       81.34567  775.8068       81.35825      0.7189655E-01  2.100487  
1 1 1 7   11 12 o 23.59627  0.8989648     564.1566       59.76518  577.8253       59.77925      -0.2903691     1.797930  
1 1 1 7   11 13 o 9.484291  0.4012544     92.68233       10.71007  88.81155       10.71562      0.2049020      0.8025088 
1 1 1 7   11 14 f 17.44268  0.6698837     304.6666       32.95086  317.4136       32.88861      -0.3673301     1.339767  
1 1 1 7   11 15 o 13.38428  0.5510905     180.6926       22.44546  184.4620       19.42212      -0.1825642     1.102181  
1 1 1 7   11 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   11 17 o 8.379924  0.4093752     74.03933       9.623960  69.59572       9.655928      0.2672390      0.8187504 
1 1 1 7   11 18 o 4.718634  0.4962555     25.57041       6.165144  21.04628       6.682222      0.5176938      0.9925111 
1 1 1 7   11 19 o 2.481756  0.6316105     9.746155       5.863148  0.2656643      6.611320      0.9190309      1.263221  
1 1 1 7   11 20 o 5.244621  0.5422906     35.17661       7.456797  25.48171       8.077356      1.009994       1.084581  
1 1 1 7   11 21 o 2.548000  0.7044260     7.938399       6.958417  6.979769       7.856593      0.5807668E-01  1.408852  
1 1 1 7   11 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   11 23 o 1.753742  0.5978954     -0.5959062E-01 8.463245  -6.397721      9.456970      0.1512503      1.195791  
1 1 1 7   13 0  o 10.99847  0.4563811     117.1311       13.20187  128.0924       15.24791      -0.4839042     0.9127621 
1 1 1 7   13 1  o 14.64255  0.5962452     260.2147       22.35141  174.6117       25.70150      2.974597       1.192490  
1 1 1 7   13 2  o 7.283888  0.3372253     61.89619       6.849856  44.99808       6.860309      1.169132       0.6744506 
1 1 1 7   13 3  f 7.816778  0.3563416     78.40774       7.008715  45.63016       8.032715      2.125458       0.7126832 
1 1 1 7   13 4  o 15.80753  0.5955283     280.1947       26.46887  225.5414       26.41457      1.736676       1.191057  
1 1 1 7   13 5  o 10.51535  0.4059400     122.9797       12.00839  99.57309       11.97285      1.118312       0.8118799 
1 1 1 7   13 6  o 19.40516  0.7374831     403.5645       40.31347  361.0218       40.27336      1.100222       1.474966  
1 1 1 7   13 7  o 3.413915  0.2700831     12.55779       2.514702  10.96075       2.604750      0.2397280      0.5401663 
1 1 1 7   13 8  o 29.02719  1.074678      888.1959       87.93324  844.3418       87.87615      0.7571919      2.149355  
1 1 1 7   13 9  o 34.19172  1.297174      1215.128       124.9649  1219.072       125.0125      -0.5731732E-01 2.594349  
1 1 1 7   13 10 o 7.645887  0.3502913     62.22951       7.504999  55.31835       7.549076      0.4548789      0.7005826 
1 1 1 7   13 11 o 24.32196  0.9457815     634.0052       64.80460  582.8756       64.74764      1.054467       1.891563  
1 1 1 7   13 12 o 5.187988  0.3567539     32.06352       5.063354  22.22338       5.157376      0.9665709      0.7135079 
1 1 1 7   13 13 o 33.79509  1.313063      1223.124       125.1357  1244.635       124.9142      -0.3240879     2.626125  
1 1 1 7   13 14 o 7.294150  0.3849597     55.49967       7.970659  52.40577       7.796745      0.2110391      0.7699194 
1 1 1 7   13 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   13 16 o 6.028746  0.4147588     34.81240       6.785756  39.91029       7.170567      -0.4178937     0.8295177 
1 1 1 7   13 17 o 9.609789  0.4409265     93.97852       11.80827  97.14182       12.03215      -0.1590016     0.8818529 
1 1 1 7   13 18 o 4.187738  0.5862106     10.65286       6.458317  28.52385       7.193842      -2.068166      1.172421  
1 1 1 7   13 19 o 2.428968  0.6800421     3.835487       6.648668  6.593344       7.300343      -0.3062226     1.360084  
1 1 1 7   13 20 o 8.844976  0.5104750     98.21233       12.38740  78.07407       12.79874      1.190871       1.020950  
1 1 1 7   13 21 o 2.546569  0.7798777     10.44836       9.862849  4.454066       11.30823      0.3079239      1.559755  
1 1 1 7   13 22 o 2.893466  0.6998583     25.67611       8.687325  -1.186257      9.765327      2.046288       1.399717  
1 1 1 7   13 23 o 2.212794  0.7151886     11.49716       9.465299  10.31940       10.70995      0.8858667E-01  1.430377  
1 1 1 7   15 0  o 12.55004  0.5308129     159.7225       17.56700  158.4682       20.22365      0.6946900E-01  1.061626  
1 1 1 7   15 1  o 14.61525  0.5281149     229.8013       21.74058  200.9607       21.72498      0.9904073      1.056230  
1 1 1 7   15 2  o 19.87527  0.9270329     474.3178       41.86612  328.0098       59.00863      3.901861       1.854066  
1 1 1 7   15 3  o 19.07291  0.8349894     416.3041       44.67270  325.2040       44.57525      2.403091       1.669979  
1 1 1 7   15 4  o 13.15024  0.4916129     197.6511       18.16045  151.2164       18.08672      1.773900       0.9832258 
1 1 1 7   15 5  o 5.645295  0.2630416     35.59152       4.197765  28.43879       4.127917      0.6372433      0.5260832 
1 1 1 7   15 6  o 30.24796  1.167787      983.7164       99.50198  905.6251       99.44873      1.295150       2.335574  
1 1 1 7   15 7  o 13.21399  0.5125277     192.5718       19.06269  159.3395       19.00900      1.263281       1.025055  
1 1 1 7   15 8  o 23.47456  0.8876637     609.3397       58.70120  516.0300       58.52251      1.994801       1.775327  
1 1 1 7   15 9  o 30.47509  1.132490      965.9910       97.24784  964.0362       97.30013      0.3280301E-01  2.264979  
1 1 1 7   15 10 o 2.517409  0.5216774     5.536704       3.825436  7.505321       4.117009      -0.3349241     1.043355  
1 1 1 7   15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   15 12 o 10.06140  0.4321904     112.2780       12.27595  92.48985       12.14502      0.9876072      0.8643808 
1 1 1 7   15 13 o 3.650145  0.5457324     14.02364       5.458877  14.10160       5.456794      -0.1068332E-01 1.091465  
1 1 1 7   15 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   15 15 o 7.907735  0.4128751     60.06059       9.094600  67.88671       9.222806      -0.4954978     0.8257502 
1 1 1 7   15 16 o 4.624430  0.5372787     19.86222       6.475298  25.81721       7.054897      -0.6328304     1.074557  
1 1 1 7   15 17 o 2.016400  0.6206462     0.6082730      6.265992  -0.9063413     7.039364      0.2120279E-02  1.241292  
1 1 1 7   15 18 o 2.291444  0.6709845     2.540372       6.723071  4.286351       7.543891      -0.2243227     1.341969  
1 1 1 7   15 19 o 3.271850  0.7544773     14.20832       7.646408  13.91072       8.474936      0.6525555E-01  1.508955  
1 1 1 7   15 20 o 4.326432  0.6716244     40.11279       8.793584  10.41051       9.757904      3.010564       1.343249  
1 1 1 7   15 21 o 3.437586  0.8338717     25.83428       9.719369  18.12766       10.70565      0.8260453      1.667743  
1 1 1 7   15 22 o 2.455576  0.7701373     14.90006       10.13754  14.77378       11.27129      0.6633452E-01  1.540275  
1 1 1 7   17 0  o 18.90624  0.7721096     348.9378       38.39937  380.8433       44.35938      -0.7990798     1.544219  
1 1 1 7   17 1  o 7.564563  0.2977270     64.33620       6.332286  50.61769       6.306262      0.9114414      0.5954539 
1 1 1 7   17 2  o 14.60899  0.7569795     263.8509       27.14091  169.0106       33.11239      3.343671       1.513959  
1 1 1 7   17 3  o 8.002838  0.3513153     72.12099       7.306099  55.91091       8.451057      1.030679       0.7026305 
1 1 1 7   17 4  o 11.44540  0.4687247     150.6290       16.24656  114.9372       13.99137      1.549489       0.9374493 
1 1 1 7   17 5  o 14.81800  0.5575094     243.8404       23.25328  199.4901       23.18152      1.503071       1.115019  
1 1 1 7   17 6  o 13.00017  0.4839475     193.7831       17.67227  147.4585       17.59459      1.790018       0.9678950 
1 1 1 7   17 7  o 23.82118  0.8982028     602.8672       60.30239  561.9147       60.24599      0.8619238      1.796406  
1 1 1 7   17 8  o 14.25442  0.5695615     226.9157       22.86027  184.7685       22.74657      1.485132       1.139123  
1 1 1 7   17 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   17 10 o 4.888187  0.4030629     24.12867       5.262386  24.70502       5.700091      -0.5125498E-01 0.8061257 
1 1 1 7   17 11 o 6.515178  0.3946695     44.13517       7.188451  42.08122       7.213852      0.1592750      0.7893389 
1 1 1 7   17 12 o 14.87929  0.5996053     263.3210       25.15058  192.7654       24.74470      2.377610       1.199211  
1 1 1 7   17 13 o 11.53363  0.4934708     159.9659       16.19345  113.6990       15.60263      2.006990       0.9869416 
1 1 1 7   17 14 o 2.529344  0.6492804     3.641943       5.788582  8.014585       6.414968      -0.5494406     1.298561  
1 1 1 7   17 15 o 4.691969  0.5491660     18.14590       6.698662  28.91573       7.257853      -1.153656      1.098332  
1 1 1 7   17 16 o 5.789865  0.5109904     35.76484       7.756613  36.46156       8.697351      -0.9028652E-02 1.021981  
1 1 1 7   17 17 o 1.594894  0.5451548     -12.23084      7.108520  -6.798427      7.955551      -0.3250788     1.090310  
1 1 1 7   17 18 o 1.916392  0.6140208     4.862345       7.764970  -14.30794      8.760975      0.8004292      1.228042  
1 1 1 7   17 19 o 3.590052  0.8106807     15.19743       9.036416  25.09834       9.934972      -0.9036655     1.621361  
1 1 1 7   17 20 o 5.695549  0.7701510     52.79678       11.60527  46.36897       12.42729      0.7843108      1.540302  
1 1 1 7   17 21 o 2.000565  0.6580742     16.89947       10.47382  -14.83388      11.73386      1.016344       1.316148  
1 1 1 7   19 0  o 20.34439  0.8255189     424.0132       44.22068  422.5075       51.13286      0.1061657      1.651038  
1 1 1 7   19 1  o 17.52571  0.6555345     369.7806       32.09332  256.1347       31.94674      3.258119       1.311069  
1 1 1 7   19 2  o 18.66546  0.7572003     386.9081       42.83430  327.1732       37.05793      1.548021       1.514401  
1 1 1 7   19 3  o 12.50577  0.5198693     198.2570       17.90707  120.9965       17.91869      3.109890       1.039739  
1 1 1 7   19 4  o 4.001451  0.3094445     18.47793       3.414940  13.80218       3.427257      0.5960923      0.6188890 
1 1 1 7   19 5  o 11.53067  0.4363915     143.0553       14.20532  125.1073       14.12141      0.7808119      0.8727831 
1 1 1 7   19 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   19 7  o 15.32275  0.6469828     271.7934       30.07996  210.5197       25.81752      1.954080       1.293966  
1 1 1 7   19 8  o 13.45547  0.6133685     207.9100       21.35572  159.8277       24.82063      1.852693       1.226737  
1 1 1 7   19 9  o 3.307030  0.5525047     14.91976       5.107251  7.294523       5.482082      1.066028       1.105009  
1 1 1 7   19 10 o 8.943860  0.4269585     91.52743       10.69873  70.95451       10.67520      1.158700       0.8539171 
1 1 1 7   19 11 o 7.900416  0.4307093     61.41164       9.576148  66.05189       9.515066      -0.2968532     0.8614187 
1 1 1 7   19 12 o 10.19820  0.4824701     125.5871       13.91985  89.18273       13.52338      1.789389       0.9649402 
1 1 1 7   19 13 o 17.72079  0.7763999     375.3835       38.87538  311.9367       38.36946      1.778416       1.552800  
1 1 1 7   19 14 o 3.539332  0.6731964     9.740305       6.750255  18.45978       7.344569      -1.059580      1.346393  
1 1 1 7   19 15 o 3.589653  0.6984262     17.90323       7.174612  11.53243       7.914072      0.7714696      1.396852  
1 1 1 7   19 16 o 4.012790  0.7028139     23.71327       7.778389  14.67547       8.794596      1.087987       1.405628  
1 1 1 7   19 17 o 3.954157  0.7355932     25.98054       8.273479  14.43970       9.692969      1.349464       1.471186  
1 1 1 7   19 18 o 2.245862  0.7450224     -7.071893      11.58516  8.356284       13.13689      -0.6444609     1.490045  
1 1 1 7   19 19 o 1.983567  0.6700881     -3.974281      9.953112  2.536343       11.22273      -0.2952181     1.340176  
1 1 1 7   19 20 f 3.577208  0.8137202     48.33049       11.86033  13.46406       13.10213      2.602515       1.627440  
1 1 1 7   21 0  o 2.251821  0.4551940     6.966821       3.110003  2.974283       3.276840      0.6973627      0.9103879 
1 1 1 7   21 1  o 11.53641  0.4595894     151.1942       14.85890  118.1096       14.87778      1.442144       0.9191788 
1 1 1 7   21 2  o 7.901314  0.3669434     71.04321       8.722092  55.67040       7.600719      0.9653634      0.7338869 
1 1 1 7   21 3  o 2.270118  0.4768468     5.422220       3.259328  5.128696       3.312940      0.4962331E-01  0.9536937 
1 1 1 7   21 4  o 3.536526  0.7602795     4.202765       11.50471  16.30392       7.542478      -0.9122078     1.520559  
1 1 1 7   21 5  o 2.369113  0.5547035     7.380990       4.586129  3.403811       4.279496      0.5976987      1.109407  
1 1 1 7   21 6  o 23.92679  1.039616      668.9752       75.42188  562.3461       65.13682      1.985917       2.079232  
1 1 1 7   21 7  o 13.53114  0.5495454     202.7630       20.94916  171.7480       20.85853      1.150438       1.099091  
1 1 1 7   21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   21 9  f 9.220868  0.4396487     94.19432       11.51179  79.62457       11.24419      0.7898589      0.8792974 
1 1 1 7   21 10 o 2.079607  0.6051639     6.386133       6.481349  -7.751258      6.848406      1.001668       1.210328  
1 1 1 7   21 11 o 6.858441  0.4787246     55.21841       9.232804  42.69358       9.003236      0.9187289      0.9574492 
1 1 1 7   21 12 f 2.271377  0.6613670     3.862699       6.415548  0.8413043      7.474570      0.1254939      1.322734  
1 1 1 7   21 13 f 5.356988  0.5867469     35.62259       8.131523  26.54646       9.105880      0.9432485      1.173494  
1 1 1 7   21 14 o 12.18024  0.6146976     184.4698       21.05284  150.8165       20.87668      1.378968       1.229395  
1 1 1 7   21 15 o 1.638761  0.5658580     -15.26683      8.082870  -7.742527      9.316086      -0.3899195     1.131716  
1 1 1 7   21 16 o 2.121204  0.6738616     -8.277547      8.842055  8.867613       9.868530      -0.9384980     1.347723  
1 1 1 7   21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   21 18 o 2.969892  0.8575502     22.42245       10.89820  17.98053       12.54655      0.4285927      1.715100  
1 1 1 7   23 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   23 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   23 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   23 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   23 4  o 5.767693  0.4440902     42.87167       6.282946  24.82470       7.428796      1.637375       0.8881804 
1 1 1 7   23 5  o 11.05963  0.4542258     152.1174       14.00926  99.49550       13.86185      2.391453       0.9084517 
1 1 1 7   23 6  f 2.135641  0.6007136     6.612301       6.027524  -3.622441      6.048576      0.9128762      1.201427  
1 1 1 7   23 7  o 5.384887  0.4963647     31.77651       7.458865  28.88796       7.289382      0.2674029      0.9927295 
1 1 1 7   23 8  o 2.421084  0.6827130     6.133841       7.446986  1.509807       6.854076      0.4783605      1.365426  
1 1 1 7   23 9  o 3.445953  0.6394829     2.910341       7.522208  21.29801       7.097816      -2.035473      1.278966  
1 1 1 7   23 10 o 3.422670  0.7334827     13.33159       8.119561  13.46028       7.369396      -0.1801734E-01 1.466965  
1 1 1 7   23 11 o 3.688780  0.7166009     17.63270       7.441303  14.05619       8.195823      0.4454863      1.433202  
1 1 1 7   23 12 o 5.865766  0.5741321     32.56724       8.787995  44.88696       9.635890      -1.005842      1.148264  
1 1 1 7   23 13 o 6.216123  0.6042182     44.32217       9.840579  46.64628       10.93175      -0.7343375E-01 1.208436  
1 1 1 7   23 14 o 3.685616  0.7631661     4.875701       9.316743  34.39069       10.82332      -2.574156      1.526332  
1 1 1 7   23 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   23 16 o 2.047406  0.6867994     8.700588       10.81297  -13.93809      12.58116      0.6362606      1.373599  
1 1 1 7   25 0  o 2.129350  0.5676980     -0.3046783     4.985190  6.539632       5.018159      -0.7714910     1.135396  
1 1 1 7   25 1  o 2.908445  0.5807647     -0.6516809E-01 5.431236  17.14520       6.463408      -2.108713      1.161529  
1 1 1 7   25 2  o 9.002147  0.4247438     90.49878       10.49208  75.88943       10.97475      0.8306179      0.8494876 
1 1 1 7   25 3  o 7.209449  0.3941580     62.57977       7.494164  43.91256       8.242919      1.332659       0.7883160 
1 1 1 7   25 4  o 8.357836  0.3960949     79.27773       9.407396  64.57339       9.160701      0.8785868      0.7921897 
1 1 1 7   25 5  o 10.93765  0.6473071     179.1660       16.79769  83.43261       19.30555      4.554068       1.294614  
1 1 1 7   25 6  o 8.486461  0.4448090     95.78507       10.88311  56.44953       9.950555      2.304167       0.8896179 
1 1 1 7   25 7  o 3.195228  0.7030109     6.998199       7.028667  16.02219       7.576149      -1.042061      1.406022  
1 1 1 7   25 8  o 4.966580  0.6655115     35.67165       9.147624  20.25149       8.931613      1.557729       1.331023  
1 1 1 7   25 9  o 2.386256  0.7072273     6.742418       8.082037  -0.8033268     8.496559      0.5027452      1.414455  
1 1 1 7   25 10 o 5.744824  0.6152362     41.33802       9.541443  35.07946       9.783470      0.5844693      1.230472  
1 1 1 7   25 11 o 7.071260  0.5884438     66.51154       11.44147  50.37833       11.44814      1.168068       1.176888  
1 1 1 7   25 12 o 2.021442  0.6706703     -5.838547      9.361202  0.2032573      10.17238      -0.3200829     1.341341  
1 1 1 7   25 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   25 14 o 2.354300  0.8146531     -1.496952      22.72707  5.183257       15.39067      -0.6642077E-02 1.629306  
1 1 1 7   27 0  o 3.265844  0.7088293     10.24361       6.505305  15.24879       8.019603      -0.5792743     1.417659  
1 1 1 7   27 1  o 5.553332  0.4661810     35.98296       7.672161  30.54556       6.737191      0.4421348      0.9323619 
1 1 1 7   27 2  o 3.931192  0.6027198     19.95573       6.409766  14.67001       6.728181      0.6832036      1.205440  
1 1 1 7   27 3  o 1.367159  0.4629762     -10.12210      5.337234  -3.499260      5.122557      -0.2754624     0.9259524 
1 1 1 7   27 4  o 1.338745  0.4548649     -8.038066      5.044374  -5.011866      5.039981      -0.1436159     0.9097299 
1 1 1 7   27 5  o 3.807188  0.7863964     24.52730       13.55686  15.90128       7.010662      0.5221294      1.572793  
1 1 1 7   27 6  o 4.296551  1.016938      23.84582       15.57144  31.65955       14.18188      -0.6887990     2.033876  
1 1 1 7   27 7  o 2.880972  0.9174814     6.760011       16.54521  5.376338       14.98013      0.1171884      1.834963  
1 1 1 7   27 8  o 2.561147  0.8515829     -18.45793      17.62363  11.36400       16.33864      -0.8014650     1.703166  
1 1 1 7   27 9  o 2.546048  0.8647463     -13.55373      18.97331  8.612135       18.13630      -0.5142837     1.729493  
1 1 1 7   27 10 o 3.418997  1.683362      62.50446       40.65429  ?              ?             ?              ?         
1 1 1 7   27 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 4  o 2.812342  1.086918      11.02250       8.680933  ?              ?             ?              ?         
1 1 1 7   29 5  o 4.484344  0.6661223     30.51161       8.112892  22.03962       8.429252      0.9894324      1.332245  
1 1 1 7   29 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 7   29 8  o 2.766320  0.8609368     18.59427       14.25020  14.29133       12.02436      0.1409202      1.721874  
1 1 1 8   0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  5  o 12.47551  1.452239      162.5919       34.95494  162.5919       34.95494      ?              ?         
1 1 1 8   0  6  o 33.54108  2.682283      1169.043       177.2053  1169.043       177.2053      ?              ?         
1 1 1 8   0  7  o 51.67126  2.683333      2762.264       275.5854  2762.264       275.5854      ?              ?         
1 1 1 8   0  8  o 0.9083856 0.5240537     1.023137       1.534444  1.023137       1.534444      ?              ?         
1 1 1 8   0  9  o 5.678668  0.3510835     32.64204       3.952059  32.64204       3.952059      ?              ?         
1 1 1 8   0  10 o 20.15054  1.076090      412.9265       43.08329  412.9265       43.08329      ?              ?         
1 1 1 8   0  11 o 46.34322  2.540447      2261.628       233.8364  2261.628       233.8364      ?              ?         
1 1 1 8   0  12 o 23.26168  1.237568      550.6027       57.20125  550.6027       57.20125      ?              ?         
1 1 1 8   0  13 o 43.49290  2.339591      1965.507       202.1570  1965.507       202.1570      ?              ?         
1 1 1 8   0  14 o 10.38255  0.5941785     109.0854       12.24496  109.0854       12.24496      ?              ?         
1 1 1 8   0  15 o 43.18519  2.413295      1965.384       206.9376  1965.384       206.9376      ?              ?         
1 1 1 8   0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  17 o 1.919146  1.191698      2.677901       9.164605  2.677901       9.164605      ?              ?         
1 1 1 8   0  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   0  19 o 3.625012  0.8151644     15.15928       5.157844  15.15928       5.157844      ?              ?         
1 1 1 8   0  20 o 3.967929  0.7964138     17.86827       5.604897  17.86827       5.604897      ?              ?         
1 1 1 8   0  21 o 6.004574  0.6002814     37.97014       7.031051  37.97014       7.031051      ?              ?         
1 1 1 8   0  22 o 1.074482  0.7488620     -4.641480      5.804340  -4.641480      5.804340      ?              ?         
1 1 1 8   0  23 o 1.371712  0.9074738     0.7819024E-01  6.495531  0.7819024E-01  6.495531      ?              ?         
1 1 1 8   0  24 f 4.067114  1.103001      23.31842       7.753920  23.31842       7.753920      ?              ?         
1 1 1 8   0  25 o 1.904253  1.155092      9.108062       8.159371  9.108062       8.159371      ?              ?         
1 1 1 8   2  0  o 15.57995  0.5752422     245.9780       25.26489  241.8940       25.25618      0.1314051      1.150484  
1 1 1 8   2  1  o 51.07027  1.976719      2694.478       284.4435  2679.034       284.4447      0.1516694      3.953439  
1 1 1 8   2  2  o 26.51384  0.9714251     712.0219       72.59450  707.2811       72.60699      0.8969166E-01  1.942850  
1 1 1 8   2  3  o 37.60824  1.774899      1478.429       146.9509  1392.726       293.7215      2.189262       3.549798  
1 1 1 8   2  4  o 41.93490  2.822192      1864.370       286.2763  1948.139       405.1183      0.2074579      5.644384  
1 1 1 8   2  5  o 12.58860  0.4821984     132.6100       14.28864  190.0873       20.28055      -2.261066      0.9643969 
1 1 1 8   2  6  o 56.39972  3.249402      3045.212       508.5556  4127.594       510.0773      -9.687203      6.498804  
1 1 1 8   2  7  o 22.25775  1.171188      440.5308       72.68737  574.3087       72.95307      -3.031144      2.342377  
1 1 1 8   2  8  o 30.14266  1.703095      871.2417       143.4179  1065.468       143.6259      -3.250656      3.406189  
1 1 1 8   2  9  o 20.45701  1.134764      379.1323       64.75467  489.6649       64.85588      -2.728066      2.269527  
1 1 1 8   2  10 o 28.76777  1.675342      800.5740       134.4987  994.0667       134.6567      -3.396331      3.350685  
1 1 1 8   2  11 o 14.86652  0.8099914     187.2881       33.41862  264.6222       33.53669      -2.627603      1.619983  
1 1 1 8   2  12 o 19.11136  1.041060      313.4796       55.21258  438.7756       55.46721      -3.310174      2.082121  
1 1 1 8   2  13 o 21.86501  1.189279      413.2870       72.16237  577.0605       72.50160      -3.780986      2.378557  
1 1 1 8   2  14 o 9.260780  0.5515682     72.15987       14.13861  101.4852       14.23303      -1.602220      1.103136  
1 1 1 8   2  15 o 25.55060  1.127082      667.9829       99.19349  688.4971       70.13486      -0.8293009     2.254165  
1 1 1 8   2  16 o 27.08253  1.066712      749.1453       81.33084  790.2678       81.40184      -0.7606898     2.133424  
1 1 1 8   2  17 o 18.30465  0.7711868     334.5127       37.16261  362.9336       42.85994      -0.6812789     1.542374  
1 1 1 8   2  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   2  19 o 10.39471  0.4337252     98.32345       12.58786  123.0879       12.71277      -1.195398      0.8674505 
1 1 1 8   2  20 o 6.734364  0.3917813     46.29877       7.378767  47.51941       7.413357      -0.9017856E-01 0.7835625 
1 1 1 8   2  21 o 2.118445  0.5993674     3.404635       5.400403  2.895038       5.488241      0.4188341E-01  1.198735  
1 1 1 8   2  22 o 3.244774  0.6166878     17.03609       6.065328  7.825027       6.116382      1.195177       1.233376  
1 1 1 8   2  23 o 3.487261  0.6360245     23.12965       6.878079  8.418510       7.007617      1.753958       1.272049  
1 1 1 8   2  24 o 3.274577  0.7213247     13.28327       7.488983  21.34887       7.732598      -0.8756682     1.442649  
1 1 1 8   2  25 o 4.782219  0.7365749     38.59467       9.564900  42.18270       9.796762      -0.2868870     1.473150  
1 1 1 8   4  0  o 37.81277  1.425803      1444.685       151.9204  1466.741       151.9507      -0.2923627     2.851605  
1 1 1 8   4  1  o 31.77851  1.224169      911.7637       101.7884  1146.138       117.7909      -3.629456      2.448339  
1 1 1 8   4  2  o 25.11631  0.9103257     652.1404       64.45770  620.6781       64.42176      0.6280511      1.820651  
1 1 1 8   4  3  o 23.67221  0.7968498     572.1077       53.19280  557.1650       53.20015      0.3163937      1.593700  
1 1 1 8   4  4  o 29.29191  1.034185      803.1262       85.19080  932.7715       85.37622      -2.220730      2.068371  
1 1 1 8   4  5  o 29.40726  1.079480      897.3672       89.50356  858.8854       89.42479      0.6558204      2.158961  
1 1 1 8   4  6  o 11.48245  0.4041698     124.5944       13.06749  140.0417       13.07870      -0.6749896     0.8083397 
1 1 1 8   4  7  o 20.24281  0.7285300     385.5861       41.46468  443.1128       41.57790      -1.425752      1.457060  
1 1 1 8   4  8  o 15.38147  0.5744781     227.5306       24.86158  250.3101       24.91381      -0.7428368     1.148956  
1 1 1 8   4  9  f 17.02920  0.6455874     277.7493       30.93009  310.1179       30.97981      -0.9537269     1.291175  
1 1 1 8   4  10 o 11.92687  0.4615305     143.5203       15.51395  143.5909       15.50614      -0.3022323E-02 0.9230611 
1 1 1 8   4  11 o 9.374104  0.3615004     89.26421       9.551619  87.58675       9.544768      0.8970509E-01  0.7230008 
1 1 1 8   4  12 o 4.724336  0.2632551     21.63579       3.467738  23.32454       3.507511      -0.1795421     0.5265102 
1 1 1 8   4  13 o 31.69642  1.206879      1015.041       107.7204  1065.428       107.8303      -0.7962484     2.413758  
1 1 1 8   4  14 o 21.60091  0.8102879     472.8568       49.31569  479.0707       49.34000      -0.1440341     1.620576  
1 1 1 8   4  15 o 5.147641  0.4386102     24.73439       5.776805  29.75829       6.814526      -0.4759884     0.8772203 
1 1 1 8   4  16 o 7.544186  0.5141485     45.93913       10.52507  70.15540       10.84576      -1.626530      1.028297  
1 1 1 8   4  17 o 19.82201  1.183776      354.7592       64.97148  498.6664       65.13837      -3.672440      2.367552  
1 1 1 8   4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   4  19 o 13.18390  0.7938659     172.4037       28.89295  204.7988       29.61151      -1.212051      1.587732  
1 1 1 8   4  20 o 3.603779  0.6998845     8.207325       6.800738  21.92660       8.564866      -1.576280      1.399769  
1 1 1 8   4  21 o 2.149332  0.6554844     -4.292565      6.842775  6.577857       8.958912      -0.9646024     1.310969  
1 1 1 8   4  22 o 2.827415  0.7726086     8.250662       7.658215  11.60624       10.22529      -0.3409761     1.545217  
1 1 1 8   4  23 o 1.952761  0.6440952     4.130815       8.262863  -16.28743      11.27686      0.5131699      1.288190  
1 1 1 8   4  24 o 3.244345  0.8334759     15.42553       9.502758  28.18936       10.86461      -0.9201853     1.666952  
1 1 1 8   6  0  o 43.08828  1.602798      1928.086       194.6267  1881.220       194.6482      0.5455359      3.205596  
1 1 1 8   6  1  o 13.20950  0.4921610     172.0174       18.31508  178.6261       18.32670      -0.2508572     0.9843220 
1 1 1 8   6  2  o 11.28812  0.3884319     132.2778       12.37074  123.3803       12.34893      0.3951668      0.7768638 
1 1 1 8   6  3  o 15.17350  0.5321760     243.3724       22.75908  219.1024       22.74286      0.8024122      1.064352  
1 1 1 8   6  4  o 9.986931  0.3600871     101.0319       10.12842  99.25627       10.14680      0.8921302E-01  0.7201741 
1 1 1 8   6  5  o 21.29152  0.7822408     477.9557       46.95470  438.2073       46.88470      0.9362924      1.564482  
1 1 1 8   6  6  o 24.94581  0.9048994     640.1718       63.67098  626.1144       63.59085      0.2819754      1.809799  
1 1 1 8   6  7  o 18.17486  0.6674220     315.8883       34.12036  352.7115       34.20578      -1.016189      1.334844  
1 1 1 8   6  8  o 22.14153  0.8366683     488.0608       52.14883  514.0782       52.23930      -0.5885456     1.673337  
1 1 1 8   6  9  o 12.37232  0.4712097     146.1367       16.39786  162.5444       16.43325      -0.6654219     0.9424194 
1 1 1 8   6  10 o 19.41497  0.7324678     382.8489       40.08787  384.2260       40.06600      -0.3575313E-01 1.464936  
1 1 1 8   6  11 o 24.99650  0.9319107     623.0895       65.62788  655.5094       65.64983      -0.6503243     1.863821  
1 1 1 8   6  12 o 30.10400  1.135547      912.3643       96.28711  956.7098       96.34965      -0.7382549     2.271093  
1 1 1 8   6  13 o 31.98042  1.222591      1029.846       110.0769  1093.610       110.2072      -0.9988352     2.445183  
1 1 1 8   6  14 o 9.303899  0.3822544     90.54778       10.01931  83.74948       10.00254      0.3667153      0.7645088 
1 1 1 8   6  15 o 24.64934  1.441193      567.0479       98.93112  744.6293       98.96317      -3.643777      2.882385  
1 1 1 8   6  16 o 9.515120  0.4175195     95.43038       11.17875  87.69723       11.17073      0.4081892      0.8350389 
1 1 1 8   6  17 o 11.24288  0.4583685     118.7108       14.50341  138.0250       14.47961      -0.8636178     0.9167369 
1 1 1 8   6  18 o 2.418351  0.5885008     5.391173       4.765797  5.777049       4.983225      -0.7066413E-01 1.177002  
1 1 1 8   6  19 o 6.098249  0.3970375     34.80704       6.629154  41.79332       6.881885      -0.5717784     0.7940750 
1 1 1 8   6  20 o 6.418970  0.4125027     37.74837       7.249015  48.21935       7.502061      -0.8152813     0.8250054 
1 1 1 8   6  21 o 2.999666  0.6399190     8.494789       5.769826  12.59957       6.108088      -0.5352099     1.279838  
1 1 1 8   6  22 o 4.225764  0.5999568     22.42708       6.739976  20.69708       7.138414      0.2542814      1.199914  
1 1 1 8   6  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   6  24 o 2.162766  0.6768800     6.700580       7.764390  6.397823       8.664112      0.7514998E-02  1.353760  
1 1 1 8   8  0  o 33.57561  1.270535      1213.031       120.1580  1089.286       120.0784      1.849514       2.541070  
1 1 1 8   8  1  o 18.33182  0.6938039     338.4649       35.83984  339.5649       35.84568      -0.3006510E-01 1.387608  
1 1 1 8   8  2  o 7.403978  0.3017012     62.01071       6.767431  48.63659       5.832566      0.9007732      0.6034024 
1 1 1 8   8  3  o 9.070147  0.3391189     91.33841       8.648989  73.78645       8.634024      0.9721010      0.6782377 
1 1 1 8   8  4  o 6.739843  0.2609358     45.82790       4.942259  45.39622       4.968307      0.3227147E-01  0.5218717 
1 1 1 8   8  5  f 18.12540  0.6724731     349.6568       34.35487  314.7056       34.30047      0.9674028      1.344946  
1 1 1 8   8  6  o 1.824926  0.2858428     1.397648       1.538170  5.350404       1.544950      -0.9920096     0.5716856 
1 1 1 8   8  7  o 22.19559  0.8407697     490.7464       52.54409  516.7050       52.61029      -0.5860112     1.681539  
1 1 1 8   8  8  o 5.610302  0.2535616     29.45119       3.931998  33.84779       4.064227      -0.3926879     0.5071231 
1 1 1 8   8  9  o 4.560555  0.2466283     19.96311       3.097346  21.95138       3.214855      -0.2180607     0.4932565 
1 1 1 8   8  10 f 34.57548  1.301952      1261.873       126.9168  1234.912       126.7994      0.3896070      2.603904  
1 1 1 8   8  11 o 3.592861  0.2915318     12.63340       2.866001  13.57203       2.950581      -0.1308813     0.5830636 
1 1 1 8   8  12 o 19.80312  0.7567737     382.1670       42.17817  414.0787       42.24047      -0.8081692     1.513547  
1 1 1 8   8  13 o 21.36839  0.8210799     459.2738       49.41220  473.0109       49.45688      -0.3220280     1.642160  
1 1 1 8   8  14 o 5.944288  0.3345229     37.47430       5.546374  33.75901       5.599643      0.3156128      0.6690459 
1 1 1 8   8  15 o 38.63155  1.557696      1611.264       169.4002  1694.658       169.5054      -1.080712      3.115391  
1 1 1 8   8  16 o 15.45171  0.6349409     235.5471       25.84655  256.6042       29.76094      -0.6240628     1.269882  
1 1 1 8   8  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   8  18 o 8.906308  0.4075932     77.67719       10.17983  84.57871       10.23263      -0.3882960     0.8151864 
1 1 1 8   8  19 o 9.922748  0.4424862     98.28548       12.25992  106.1614       12.43961      -0.3930349     0.8849725 
1 1 1 8   8  20 o 3.525140  0.5986008     10.10273       5.753284  17.90095       6.217965      -1.017999      1.197202  
1 1 1 8   8  21 o 2.033936  0.6082333     -0.7145941     5.944368  4.724322       6.445778      -0.5027101     1.216467  
1 1 1 8   8  22 o 2.080355  0.6299304     0.3082069      6.468797  5.667747       7.015855      -0.4524623     1.259861  
1 1 1 8   8  23 o 1.968429  0.6744649     -1.675963      12.37205  -6.658344      10.86288      0.2346171      1.348930  
1 1 1 8   8  24 o 2.308039  0.7043838     13.16350       8.260599  7.325192       8.947292      0.3985757      1.408768  
1 1 1 8   10 0  o 25.13293  0.9526474     692.4468       67.40459  595.1193       67.32986      1.944234       1.905295  
1 1 1 8   10 1  o 9.933603  0.4053364     110.5408       12.18038  88.98043       10.54211      1.078575       0.8106728 
1 1 1 8   10 2  o 13.83963  0.5612182     209.1223       20.35672  175.0044       23.46990      1.262982       1.122436  
1 1 1 8   10 3  o 20.60505  0.7491084     470.1559       43.44262  391.3245       43.37788      1.920764       1.498217  
1 1 1 8   10 4  o 24.72198  0.9178593     675.3768       63.86123  575.0622       63.82207      2.037341       1.835719  
1 1 1 8   10 5  o 4.668135  0.2038388     23.74748       2.685472  19.98425       2.660425      0.4051418      0.4076777 
1 1 1 8   10 6  o 14.55266  0.5576271     224.6002       22.87695  203.5799       22.82433      0.7245883      1.115254  
1 1 1 8   10 7  o 6.080598  0.2589944     36.98842       4.394197  37.37615       4.474125      -0.3138341E-01 0.5179888 
1 1 1 8   10 8  o 24.20968  0.9121866     588.9374       62.17968  612.4031       62.27589      -0.4851786     1.824373  
1 1 1 8   10 9  o 10.06713  0.3953321     103.2404       11.19437  100.8120       11.22952      0.1212210      0.7906641 
1 1 1 8   10 10 o 18.14405  0.6763611     333.3371       34.59073  333.6630       34.58453      -0.9049906E-02 1.352722  
1 1 1 8   10 11 o 1.923514  0.4521285     3.199310       2.869697  3.819714       2.888305      -0.1139487     0.9042570 
1 1 1 8   10 12 o 9.907940  0.3981718     103.0902       11.09794  94.48212       11.11394      0.4362877      0.7963436 
1 1 1 8   10 13 o 28.25018  1.098181      814.4963       87.36837  848.0889       87.42561      -0.5957340     2.196361  
1 1 1 8   10 14 o 7.023859  0.7687998     ?              ?         50.50527       10.62367      ?              ?         
1 1 1 8   10 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   10 16 o 6.329539  0.3988443     38.03564       7.091164  43.37291       7.019696      -0.4273372     0.7976885 
1 1 1 8   10 17 o 3.730330  0.5324584     16.34427       5.329545  12.87192       5.557447      0.4755311      1.064917  
1 1 1 8   10 18 o 4.164449  0.5205211     19.43565       5.775664  17.43155       6.048995      0.2583757      1.041042  
1 1 1 8   10 19 o 10.04840  0.4576976     111.3817       12.94712  100.5686       12.90865      0.5393819      0.9153952 
1 1 1 8   10 20 o 2.520176  0.6453971     9.865348       6.089180  2.456206       6.461906      0.7664427      1.290794  
1 1 1 8   10 21 o 3.332033  0.6500267     19.92566       6.715927  6.872030       7.347044      1.540252       1.300053  
1 1 1 8   10 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   10 23 o 2.121380  0.6194394     15.68774       7.874411  -11.73036      8.606249      1.473413       1.238879  
1 1 1 8   12 0  o 16.66683  0.6236162     288.2555       29.28203  274.7697       29.29236      0.4059186      1.247232  
1 1 1 8   12 1  o 9.154112  0.3814873     105.0095       9.645370  65.18800       9.635636      2.189622       0.7629745 
1 1 1 8   12 2  o 15.01299  0.5151850     247.0280       21.78746  207.8083       21.74642      1.310944       1.030370  
1 1 1 8   12 3  o 11.94143  0.4414224     163.8006       14.78869  123.9647       14.75135      1.675969       0.8828449 
1 1 1 8   12 4  o 4.910284  0.2204397     25.33771       3.042071  23.08703       3.045271      0.2303682      0.4408795 
1 1 1 8   12 5  o 24.08697  0.8928620     643.3308       60.54159  545.0346       60.46086      2.048567       1.785724  
1 1 1 8   12 6  o 39.46058  1.537667      1762.350       170.9309  1554.808       170.5777      2.635814       3.075333  
1 1 1 8   12 7  o 31.99027  1.260633      1101.845       113.5854  1030.254       113.5518      1.122687       2.521266  
1 1 1 8   12 8  o 22.53182  0.8541976     524.7337       54.23093  510.4709       54.23828      0.3175230      1.708395  
1 1 1 8   12 9  o 5.903689  0.2798084     33.66519       4.602874  36.44906       4.683530      -0.2363110     0.5596167 
1 1 1 8   12 10 o 19.26716  0.7096716     390.1591       38.53736  362.5574       38.51125      0.7184736      1.419343  
1 1 1 8   12 11 o 24.65606  0.9457682     642.3297       65.70905  605.8170       65.66917      0.7425494      1.891536  
1 1 1 8   12 12 o 47.62248  1.993882      2595.780       267.3629  2546.824       267.3466      0.5154774      3.987765  
1 1 1 8   12 13 o 7.528203  0.7242767     57.79419       10.77059  ?              ?             ?              ?         
1 1 1 8   12 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   12 15 o 2.996799  0.5947167     7.784751       5.384724  10.87475       5.217322      -0.4342016     1.189433  
1 1 1 8   12 16 o 1.816046  0.5628688     -3.512224      5.720425  0.8310518      5.541350      -0.2985301     1.125738  
1 1 1 8   12 17 o 4.708820  0.4852899     25.48956       6.113583  20.64409       6.403825      0.5412569      0.9705799 
1 1 1 8   12 18 o 6.488163  0.4297723     45.02590       7.670167  42.88462       7.921141      0.1763540      0.8595446 
1 1 1 8   12 19 o 6.161963  0.4674211     40.85926       7.808563  40.75842       8.247583      0.3403415E-01  0.9348423 
1 1 1 8   12 20 o 2.703317  0.6707028     2.589208       6.571650  14.32687       7.281051      -1.235934      1.341406  
1 1 1 8   12 21 o 4.433263  0.6410525     36.02662       7.959048  14.57866       8.411941      2.360234       1.282105  
1 1 1 8   12 22 o 2.230313  0.6911329     2.522189       8.193643  9.399437       8.762449      -0.4457792     1.382266  
1 1 1 8   12 23 o 1.786118  0.6055816     7.085310       8.981432  -9.975734      9.831989      0.5330982      1.211163  
1 1 1 8   14 0  o 16.60393  0.6275141     291.2235       29.34736  267.1920       29.34539      0.7262951      1.255028  
1 1 1 8   14 1  o 18.90195  0.7737204     428.0780       37.60485  299.3128       43.27568      3.486389       1.547441  
1 1 1 8   14 2  o 9.298502  0.3382920     98.61683       8.823962  75.37051       8.813899      1.255929       0.6765839 
1 1 1 8   14 3  o 20.14930  0.7320828     464.5332       41.43598  360.9538       41.33076      2.581541       1.464166  
1 1 1 8   14 4  o 17.48997  0.6506599     345.9546       31.98365  273.6875       31.90932      2.075393       1.301320  
1 1 1 8   14 5  o 25.04818  0.9461278     705.1569       66.66576  578.3992       66.53594      2.541167       1.892256  
1 1 1 8   14 6  o 22.72625  0.8500707     558.3720       54.44389  493.1018       54.33530      1.440902       1.700141  
1 1 1 8   14 7  o 18.85934  0.7211812     388.4908       38.29362  332.1600       38.23189      1.499752       1.442362  
1 1 1 8   14 8  o 18.55037  0.7155291     371.8719       37.38696  325.5370       37.32336      1.253839       1.431058  
1 1 1 8   14 9  o 14.78422  0.5766503     225.0162       24.02128  217.0573       24.01254      0.2699807      1.153301  
1 1 1 8   14 10 o 34.27127  1.320365      1224.594       127.4790  1252.147       127.5165      -0.4026627     2.640730  
1 1 1 8   14 11 o 8.387993  0.3816674     77.46935       8.949571  64.19996       9.020528      0.7969051      0.7633348 
1 1 1 8   14 12 o 30.88226  1.231315      1060.569       107.0989  975.8508       107.0086      1.375330       2.462631  
1 1 1 8   14 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   14 14 o 17.52888  0.7580183     318.5812       35.06432  323.7268       40.27980      -0.3834941E-01 1.516037  
1 1 1 8   14 15 o 4.924507  0.4780704     28.73420       6.536060  21.33157       6.341882      0.7657894      0.9561408 
1 1 1 8   14 16 o 11.25561  0.4882970     131.8602       15.45770  130.7300       15.48287      0.5106948E-01  0.9765940 
1 1 1 8   14 17 o 2.684595  0.5743972     -3.889753      5.872192  15.80980       6.372458      -2.117856      1.148794  
1 1 1 8   14 18 o 2.856068  0.6793509     10.08155       6.323050  7.899819       6.755955      0.2450473      1.358702  
1 1 1 8   14 19 o 5.774667  0.5272411     29.72052       8.010349  45.02981       8.587879      -1.309213      1.054482  
1 1 1 8   14 20 o 3.161854  0.7412600     15.33348       7.475993  12.24075       8.223751      0.3746320      1.482520  
1 1 1 8   14 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   14 22 o 2.250200  0.6818699     17.99418       9.004990  -4.406273      9.857633      1.183809       1.363740  
1 1 1 8   16 0  o 16.79486  0.6389204     306.5557       30.21092  263.6135       30.17428      1.283844       1.277841  
1 1 1 8   16 1  o 22.39323  0.8164079     559.1415       51.43132  460.4940       51.36547      2.211925       1.632816  
1 1 1 8   16 2  o 10.14938  0.4106059     129.5106       11.47856  79.73857       11.51014      2.467850       0.8212119 
1 1 1 8   16 3  o 10.61921  0.3990246     131.6496       11.87478  95.72914       11.82118      1.699780       0.7980492 
1 1 1 8   16 4  o 11.03536  0.4191295     136.4175       12.99440  108.6180       12.97773      1.265756       0.8382590 
1 1 1 8   16 5  o 6.228155  0.2873258     46.73658       4.977903  31.52810       4.964182      1.230600       0.5746516 
1 1 1 8   16 6  o 32.25792  1.211362      1139.715       110.1277  1018.507       109.9238      1.883826       2.422724  
1 1 1 8   16 7  o 7.779503  0.3298715     67.95627       7.205378  53.71476       7.188685      0.9208007      0.6597430 
1 1 1 8   16 8  o 17.62055  0.6929372     347.6851       34.35426  283.2953       34.24203      1.835501       1.385874  
1 1 1 8   16 9  o 10.90071  0.4649351     130.3394       14.25356  109.5138       14.22395      0.9603736      0.9298702 
1 1 1 8   16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   16 11 o 9.854589  0.4348818     97.33362       11.94773  99.46563       12.17647      -0.1061286     0.8697637 
1 1 1 8   16 12 o 2.526335  0.6307762     3.829575       5.387789  7.823096       6.031068      -0.5422260     1.261552  
1 1 1 8   16 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   16 14 o 8.488364  0.4401853     82.14445       10.61696  65.44520       10.30213      0.9849041      0.8803706 
1 1 1 8   16 15 o 2.892021  0.6688074     5.659958       6.477784  11.39923       6.463325      -0.6830866     1.337615  
1 1 1 8   16 16 o 3.141457  0.6462100     14.15635       6.145524  6.919563       6.594568      0.9001101      1.292420  
1 1 1 8   16 17 o 2.911994  0.6806837     11.53669       6.315503  6.875858       7.130784      0.5172101      1.361367  
1 1 1 8   16 18 o 1.998213  0.6269428     2.519804       6.863791  -3.742987      7.610925      0.3066158      1.253886  
1 1 1 8   16 19 o 9.284637  0.5465237     105.6284       14.17539  97.30536       14.24510      0.4602409      1.093047  
1 1 1 8   16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   16 21 o 2.863126  0.7975376     10.56817       9.455146  26.08939       10.67208      -1.042347      1.595075  
1 1 1 8   18 0  o 2.928253  0.3192492     12.55730       2.392173  5.075627       2.532758      1.317150       0.6384984 
1 1 1 8   18 1  o 23.52611  0.8289474     647.5661       54.66971  482.7575       54.54378      3.517648       1.657895  
1 1 1 8   18 2  o 5.579558  0.3302036     33.40795       5.175942  29.34225       5.136329      0.3671602      0.6604072 
1 1 1 8   18 3  o 13.68060  0.5136810     223.3784       19.63407  155.8679       19.56017      2.479946       1.027362  
1 1 1 8   18 4  o 22.37695  0.8267320     522.6668       52.08923  500.4799       52.18018      0.4981188      1.653464  
1 1 1 8   18 5  o 20.68921  0.7794883     494.7015       45.30354  379.7339       45.11375      2.790653       1.558977  
1 1 1 8   18 6  o 16.72011  0.6526322     315.1035       30.69106  253.1372       30.58840      1.861640       1.305264  
1 1 1 8   18 7  o 25.45088  3.495086      801.7542       173.2125  ?              ?             ?              ?         
1 1 1 8   18 8  o 9.315052  0.4124051     91.64124       10.76865  83.58644       10.83962      0.4352203      0.8248102 
1 1 1 8   18 9  o 9.029542  0.4165230     95.28465       10.55528  69.87211       10.45409      1.416626       0.8330460 
1 1 1 8   18 10 f 3.945904  0.5073873     22.43879       5.452003  9.758051       5.481207      1.626956       1.014775  
1 1 1 8   18 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   18 12 o 5.972851  0.4544370     39.64341       7.467462  33.47450       7.606915      0.5284426      0.9088741 
1 1 1 8   18 13 o 3.871557  0.6498467     18.44725       6.986739  13.91250       7.119528      0.5618051      1.299693  
1 1 1 8   18 14 o 4.662837  0.5955526     29.61194       7.630624  16.96700       7.480729      1.379261       1.191105  
1 1 1 8   18 15 o 2.730958  0.6571440     0.7029107      6.465761  13.91585       7.156532      -1.432099      1.314288  
1 1 1 8   18 16 o 2.489682  0.6865863     6.930597       6.689688  3.874520       7.448857      0.2262967      1.373173  
1 1 1 8   18 17 o 2.503724  0.6881538     0.2138861      7.168592  12.35665       8.077003      -1.096275      1.376308  
1 1 1 8   18 18 o 4.288766  0.6960165     33.15604       8.479442  15.11366       9.403513      2.008124       1.392033  
1 1 1 8   18 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   18 20 o 1.842950  0.6169448     -17.04860      9.654393  12.77443       10.92309      -1.029526      1.233890  
1 1 1 8   20 0  o 9.946427  0.3961821     106.7412       11.05821  92.53140       11.11263      0.7181997      0.7923642 
1 1 1 8   20 1  o 5.314397  0.3182820     35.51262       4.949883  22.03037       4.421545      1.275706       0.6365641 
1 1 1 8   20 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   20 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   20 4  o 9.456338  0.3937795     100.9873       10.40298  79.38845       10.47842      1.149746       0.7875591 
1 1 1 8   20 5  o 5.741371  0.3633074     38.84702       6.687765  28.87380       5.117333      0.8505959      0.7266148 
1 1 1 8   20 6  o 18.69013  0.9317572     424.6993       43.35005  302.1011       52.83485      3.500508       1.863514  
1 1 1 8   20 7  f 5.537407  0.3976680     32.19352       6.029763  30.18200       6.254358      0.1878719      0.7953360 
1 1 1 8   20 8  o 17.70053  0.7109833     360.5343       35.40238  288.1975       35.23375      2.051444       1.421967  
1 1 1 8   20 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   20 10 o 6.476768  0.4457919     47.65064       8.081473  38.26629       7.982574      0.7322767      0.8915838 
1 1 1 8   20 11 o 8.624183  0.4528539     76.28764       10.90165  76.99412       11.03449      -0.3798977E-01 0.9057078 
1 1 1 8   20 12 o 8.932766  0.4737048     81.04807       12.01660  84.91672       11.74488      -0.2263790     0.9474095 
1 1 1 8   20 13 o 8.150717  0.4869200     70.98126       11.20022  69.27938       11.04096      0.9862792E-01  0.9738400 
1 1 1 8   20 14 o 4.099440  0.6807678     18.12616       7.332771  21.18682       8.233668      -0.3019039     1.361536  
1 1 1 8   20 15 o 2.749633  0.7223575     3.053447       7.474401  13.63578       8.399279      -1.022235      1.444715  
1 1 1 8   20 16 o 3.413200  0.7536360     19.63438       8.035728  10.56298       9.124866      0.9882797      1.507272  
1 1 1 8   20 17 o 2.395700  0.7289184     6.025663       8.409707  5.543143       9.525263      -0.1578877E-01 1.457837  
1 1 1 8   20 18 o 2.216891  0.7576107     -19.05970      16.13211  13.64596       15.13738      -0.7535959     1.515221  
1 1 1 8   20 19 o 6.101066  0.8302661     76.71713       13.66331  57.19137       14.25426      1.825245       1.660532  
1 1 1 8   22 0  o 7.920654  0.3534737     70.57658       7.807057  56.02958       7.888750      0.9256227      0.7069474 
1 1 1 8   22 1  o 6.541487  0.3729551     53.26944       7.079774  34.08145       6.457002      1.472687       0.7459103 
1 1 1 8   22 2  o 18.78833  0.7749817     370.2679       44.14987  364.5475       38.44822      0.4785166E-01  1.549963  
1 1 1 8   22 3  o 3.158512  0.5312569     10.80636       4.272036  10.09766       5.304039      0.1121879      1.062514  
1 1 1 8   22 4  o 4.494937  0.4349290     26.92577       4.855049  14.13807       5.548596      1.492367       0.8698580 
1 1 1 8   22 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   22 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   22 7  o 10.96501  0.5118873     138.0303       15.65576  108.9382       15.78359      1.339284       1.023775  
1 1 1 8   22 8  o 4.721869  0.5985660     34.43849       7.908635  13.44666       7.439280      2.231633       1.197132  
1 1 1 8   22 9  o 4.284124  0.6384008     15.63103       7.317762  24.06402       7.720993      -0.9638473     1.276802  
1 1 1 8   22 10 o 9.270153  0.4748862     97.05674       12.55155  82.15295       12.13841      0.7957197      0.9497725 
1 1 1 8   22 11 o 5.206698  0.5808187     31.26163       8.677471  28.14959       7.901401      0.2596100      1.161637  
1 1 1 8   22 12 o 3.322876  0.6620694     23.58998       8.090143  -2.826321      8.656789      2.447565       1.324139  
1 1 1 8   22 13 o 8.811400  0.5253035     89.93526       12.83534  80.91046       13.07748      0.5341718      1.050607  
1 1 1 8   22 14 o 2.220999  0.6857080     0.2262850      7.430017  4.564075       9.068559      -0.4256966     1.371416  
1 1 1 8   22 15 o 2.352219  0.7207374     -1.237493      8.617767  10.85957       10.05458      -0.8166826     1.441475  
1 1 1 8   22 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   22 17 o 2.909214  0.8467845     15.62931       10.48277  22.02044       12.08482      -0.3031954     1.693569  
1 1 1 8   24 0  o 8.580751  0.3917946     89.14966       9.320694  61.31949       9.369960      1.635442       0.7835892 
1 1 1 8   24 1  o 3.092986  0.5546647     13.91644       4.996790  5.599467       5.315765      1.166154       1.109329  
1 1 1 8   24 2  o 4.589369  0.4578542     22.50517       5.624992  21.27173       5.940614      0.1482218      0.9157084 
1 1 1 8   24 3  o 2.134872  0.5504661     6.577211       4.481661  -0.3036406     4.924464      0.7599701      1.100932  
1 1 1 8   24 4  o 6.867385  0.4373556     49.62954       7.604965  47.10737       9.508623      0.2378586      0.8747113 
1 1 1 8   24 5  o 2.477631  0.5379640     14.36197       6.040091  -6.989864      5.416478      2.212689       1.075928  
1 1 1 8   24 6  o 9.749989  0.4674725     111.7529       12.80260  85.51026       12.69067      1.352962       0.9349450 
1 1 1 8   24 7  o 6.930179  0.5392085     65.10160       10.08371  36.97411       10.04800      2.076225       1.078417  
1 1 1 8   24 8  o 2.067045  0.6194833     6.727593       7.804630  -7.494655      6.690841      1.119659       1.238967  
1 1 1 8   24 9  o 2.301807  0.6980537     -4.635322      8.990680  5.395350       8.090402      -0.5464666     1.396107  
1 1 1 8   24 10 o 5.052478  0.6610464     21.91115       9.623638  35.82651       8.792007      -1.467291      1.322093  
1 1 1 8   24 11 o 2.472248  0.7397698     6.314369       9.540451  2.241797       8.448812      0.3638512      1.479540  
1 1 1 8   24 12 o 3.386938  0.6692827     27.38586       8.581187  -1.777885      8.894467      2.637484       1.338565  
1 1 1 8   24 13 f 2.397336  0.7411696     5.046905       8.639658  4.123744       10.65937      -0.5231546E-01 1.482339  
1 1 1 8   24 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   24 15 o 2.131286  0.7090451     2.494438       10.08080  2.176026       12.02520      -0.6273010E-01 1.418090  
1 1 1 8   26 0  f 3.277581  0.6391178     5.280965       6.120327  18.67243       7.053453      -1.646234      1.278236  
1 1 1 8   26 1  f 7.947454  0.4285422     74.61604       9.252370  56.55986       9.739885      1.167053       0.8570844 
1 1 1 8   26 2  o 5.357296  0.4677579     35.68078       6.653398  24.37122       7.037511      1.105509       0.9355158 
1 1 1 8   26 3  o 3.781401  0.5567703     16.80425       5.584883  14.48519       5.993735      0.3284968      1.113541  
1 1 1 8   26 4  o 8.765903  0.4320908     85.93756       10.56981  75.01722       10.69246      0.6324068      0.8641817 
1 1 1 8   26 5  o 2.278697  0.6555295     -0.6829294     6.284566  7.739017       7.782936      -0.8686955     1.311059  
1 1 1 8   26 6  o 2.680080  0.6742640     -0.6544147     7.986666  12.47614       6.746212      -1.139560      1.348528  
1 1 1 8   26 7  o 4.509187  0.7454407     24.34491       12.35005  25.19144       8.095191      -0.4183272     1.490881  
1 1 1 8   26 8  o 3.697662  0.8376240     11.47622       13.34820  21.80048       9.147373      -0.9721754     1.675248  
1 1 1 8   26 9  o 2.260547  0.7144232     -7.447349      10.47704  6.398885       9.384048      -0.6060699     1.428846  
1 1 1 8   26 10 o 3.923492  1.028713      32.09210       17.90652  25.62401       13.29678      0.9323928E-01  2.057425  
1 1 1 8   26 11 f 2.485198  0.8459927     -13.45205      18.69841  9.684647       17.47163      -0.5196960     1.691985  
1 1 1 8   26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   28 0  o 7.154021  1.013800      ?              ?         62.44118       14.09965      ?              ?         
1 1 1 8   28 1  o 2.986489  0.9010112     14.14185       12.50478  -1.004550      16.30787      0.5898815      1.802022  
1 1 1 8   28 2  o 2.293156  0.7833169     -13.14430      13.27228  -7.714221      17.72275      -0.4667130     1.566634  
1 1 1 8   28 3  o 7.276225  0.8793105     74.07324       17.29062  68.65971       17.58910      0.4250663      1.758621  
1 1 1 8   28 4  o 4.033219  1.000019      29.79171       14.13272  22.69132       14.38376      0.5605615      2.000038  
1 1 1 8   28 5  o 4.388301  1.010884      23.73148       15.14426  41.02898       15.01048      -1.345488      2.021768  
1 1 1 8   28 6  f 2.666518  0.8571200     18.64552       15.97084  -8.556003      14.79674      1.056712       1.714240  
1 1 1 8   28 7  o 2.700886  0.8914855     12.27201       17.94074  2.102654       15.76269      0.3820747      1.782971  
1 1 1 8   28 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   28 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   28 10 o 5.644454  0.8787841     68.25035       13.91784  44.77333       14.38110      2.119739       1.757568  
1 1 1 8   30 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   30 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   30 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 8   30 5  o 2.108485  0.6623117     4.877725       7.984988  3.882694       7.828108      0.6778227E-01  1.324623  
1 1 1 9   1  0  o 9.443882  0.6492270     89.74113       12.18783  ?              ?             ?              ?         
1 1 1 9   1  1  o 10.99179  0.8258057     121.7953       18.02139  ?              ?             ?              ?         
1 1 1 9   1  2  o 17.01959  1.317899      293.2694       44.51079  ?              ?             ?              ?         
1 1 1 9   1  3  o 48.06491  2.521741      2221.701       339.2139  2645.028       339.9434      -4.434012      5.043481  
1 1 1 9   1  4  f 28.33816  1.482686      725.1226       117.3965  916.5851       117.6562      -3.406827      2.965371  
1 1 1 9   1  5  o 20.21366  1.084946      388.4312       61.47286  441.5915       61.49842      -1.324855      2.169893  
1 1 1 9   1  6  o 18.65702  0.9382471     297.7200       48.75193  408.9438       48.86627      -3.007021      1.876494  
1 1 1 9   1  7  o 33.25172  1.762829      925.4703       161.5505  1414.771       162.2883      -7.427371      3.525658  
1 1 1 9   1  8  o 22.90438  1.202028      458.3787       76.53152  629.4672       76.86531      -3.767617      2.404056  
1 1 1 9   1  9  f 8.103736  0.4616017     58.39595       10.45328  74.11082       10.44170      -0.9799379     0.9232034 
1 1 1 9   1  10 o 39.72722  1.882187      1820.929       257.6931  1713.209       182.0233      -0.2656682     3.764374  
1 1 1 9   1  11 o 25.67911  1.003074      659.9211       72.53717  697.4915       72.56599      -0.7337736     2.006147  
1 1 1 9   1  12 o 18.04444  0.6910527     330.2797       35.14174  330.0750       35.13399      0.5634097E-02  1.382105  
1 1 1 9   1  13 o 20.62533  0.7809435     424.0493       45.37263  440.6234       45.39878      -0.4028341     1.561887  
1 1 1 9   1  14 o 8.311717  0.3496522     68.01787       8.170878  71.03075       8.191982      -0.1817923     0.6993045 
1 1 1 9   1  15 o 10.04551  0.4120607     100.4335       11.64736  103.1511       11.66625      -0.1355939     0.8241214 
1 1 1 9   1  16 o 17.41085  0.6807299     306.9803       33.38558  312.9494       33.39643      -0.1718325     1.361460  
1 1 1 9   1  17 o 4.195940  0.4645169     23.23405       5.332685  12.91446       5.173182      1.265686       0.9290338 
1 1 1 9   1  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   1  19 o 7.574537  0.3761841     50.57106       7.918457  66.54764       8.011092      -1.061420      0.7523682 
1 1 1 9   1  20 o 6.417452  0.3912466     40.98499       7.015172  44.25007       7.041217      -0.2556958     0.7824933 
1 1 1 9   1  21 o 2.697229  0.6117510     9.866944       5.351612  6.087492       5.400711      0.5029046      1.223502  
1 1 1 9   1  22 o 2.411479  0.6268371     5.581009       5.585366  7.089515       5.670103      -0.1793120     1.253674  
1 1 1 9   1  23 f 2.018294  0.6109129     3.855131       6.210021  1.840353       6.254029      0.1564012      1.221826  
1 1 1 9   1  24 o 2.323529  0.6671165     5.029920       6.987971  10.59307       7.032429      -0.4760841     1.334233  
1 1 1 9   1  25 o 1.595890  0.5468776     2.276711       7.786472  -7.299041      7.792687      0.3375115      1.093755  
1 1 1 9   3  0  o 15.96928  0.5976458     262.2920       26.89806  250.3661       26.88822      0.3745274      1.195292  
1 1 1 9   3  1  o 20.43090  0.7705715     407.4672       44.34050  433.0802       44.36827      -0.6287956     1.541143  
1 1 1 9   3  2  o 23.02191  0.8328425     542.2134       54.04907  526.3030       54.04379      0.3464899      1.665685  
1 1 1 9   3  3  o 22.97742  0.8166928     544.4574       52.90949  519.8552       52.88390      0.5367677      1.633386  
1 1 1 9   3  4  o 20.44866  0.7253848     411.5256       41.78124  430.8607       41.84426      -0.4738534     1.450770  
1 1 1 9   3  5  o 49.42734  1.874455      2445.387       260.8842  2643.629       261.0411      -2.011309      3.748911  
1 1 1 9   3  6  o 13.01231  0.4862428     175.5743       17.84353  164.9405       17.80960      0.4097814      0.9724857 
1 1 1 9   3  7  o 23.54904  0.8624675     548.7026       57.22470  578.2850       57.24853      -0.6298546     1.724935  
1 1 1 9   3  8  o 15.49286  0.5778563     237.2406       25.21058  247.9462       25.24526      -0.3463217     1.155713  
1 1 1 9   3  9  o 7.992459  0.3202389     68.29933       7.195398  60.04087       7.207735      0.5191192      0.6404778 
1 1 1 9   3  10 o 8.568507  0.3776527     61.93896       7.631494  88.14198       10.80584      -1.506261      0.7553054 
1 1 1 9   3  11 o 3.456680  0.3840843     8.770179       3.671095  15.36500       3.510075      -0.9906721     0.7681686 
1 1 1 9   3  12 o 8.990676  0.5173623     63.88900       12.78582  100.1665       12.86357      -2.042025      1.034725  
1 1 1 9   3  13 o 8.176716  0.4965738     52.35801       11.13353  83.32545       11.20256      -1.919462      0.9931476 
1 1 1 9   3  14 o 23.43693  1.307566      491.5324       85.21226  659.8704       85.54472      -3.625470      2.615132  
1 1 1 9   3  15 o 8.668396  0.5368262     63.19915       12.87770  89.24847       12.93821      -1.522270      1.073652  
1 1 1 9   3  16 f 3.866802  0.5955911     10.08009       6.536354  20.62611       6.453171      -1.320235      1.191182  
1 1 1 9   3  17 o 19.57140  1.162330      357.7399       63.27372  471.4996       63.38467      -2.938446      2.324661  
1 1 1 9   3  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   3  19 o 9.727648  0.6084071     85.14367       15.96138  114.4376       16.99716      -1.488932      1.216814  
1 1 1 9   3  20 o 1.461396  0.4947518     -5.952037      6.525966  -8.071629      5.238612      0.3264086      0.9895037 
1 1 1 9   3  21 f 2.942601  0.5909771     5.149964       5.394137  14.08158       5.565212      -1.199282      1.181954  
1 1 1 9   3  22 o 3.165831  0.6332423     10.90869       5.849534  13.74693       6.040720      -0.3700286     1.266485  
1 1 1 9   3  23 o 1.698061  0.5577260     -2.807093      6.368060  -1.563606      6.522127      -0.8589504E-01 1.115452  
1 1 1 9   3  24 o 2.048284  0.6331631     6.925101       7.030064  1.987410       7.106598      0.3359506      1.266326  
1 1 1 9   3  25 o 2.897841  0.7490335     14.24434       8.285754  24.55589       8.508237      -0.9103644     1.498067  
1 1 1 9   5  0  o 15.75466  0.5920466     255.6719       26.28544  243.4723       26.27830      0.3883699      1.184093  
1 1 1 9   5  1  o 19.13817  0.7114058     336.9863       38.26638  399.9164       38.33068      -1.651129      1.422812  
1 1 1 9   5  2  o 9.664537  0.3519323     99.31420       9.589437  87.97967       9.567299      0.5885282      0.7038646 
1 1 1 9   5  3  f 22.70986  0.8006110     547.4312       51.26991  492.2035       51.17731      1.219741       1.601222  
1 1 1 9   5  4  o 11.03575  0.3994224     119.5083       12.41180  125.0733       12.43572      -0.2527648     0.7988449 
1 1 1 9   5  5  o 8.608191  0.3278265     74.21481       7.943556  74.63355       7.961115      -0.2431086E-01 0.6556530 
1 1 1 9   5  6  o 15.66545  0.5802939     258.1007       25.63141  236.4588       25.58397      0.6929212      1.160588  
1 1 1 9   5  7  o 7.599483  0.2887492     53.79301       6.167156  62.10574       6.183396      -0.5491862     0.5774984 
1 1 1 9   5  8  o 29.74985  1.111968      863.1082       93.04980  970.1742       93.23544      -1.804346      2.223936  
1 1 1 9   5  9  o 1.182808  0.3478599     0.1504943      1.861134  0.4607858      1.988909      -0.8458482E-01 0.6957198 
1 1 1 9   5  10 o 28.41241  1.093338      812.6868       87.47669  859.1093       87.53878      -0.8189777     2.186677  
1 1 1 9   5  11 o 4.343736  0.2615812     20.80430       3.134102  17.07333       3.215193      0.4355046      0.5231624 
1 1 1 9   5  12 o 33.44257  1.260913      1135.039       118.8050  1186.729       118.8270      -0.7750084     2.521826  
1 1 1 9   5  13 o 15.19116  0.5774969     230.0147       24.71037  236.4437       24.73029      -0.2121135     1.154994  
1 1 1 9   5  14 o 6.405014  0.3155998     38.03178       5.631021  44.51238       5.712752      -0.5085537     0.6311995 
1 1 1 9   5  15 o 5.413633  0.3441516     27.26849       5.146960  31.95703       5.259665      -0.4360484     0.6883032 
1 1 1 9   5  16 o 9.543112  0.4137395     82.85072       11.04322  101.1834       11.12453      -0.9653943     0.8274790 
1 1 1 9   5  17 o 21.35552  0.8314169     488.9312       50.05125  466.8958       49.98000      0.5161719      1.662834  
1 1 1 9   5  18 o 8.063702  0.4350629     65.65382       9.269422  67.70186       10.54863      -0.1026285     0.8701257 
1 1 1 9   5  19 o 4.199332  0.4939804     14.38043       5.495572  22.61770       5.747081      -0.9995386     0.9879608 
1 1 1 9   5  20 o 5.186806  0.5974632     27.28874       7.521713  32.98605       9.812113      -0.4164080     1.194926  
1 1 1 9   5  21 o 2.281768  0.6841250     2.374935       6.695439  3.054114       8.872400      -0.2645425     1.368250  
1 1 1 9   5  22 o 3.021112  0.7632984     13.92258       7.513362  8.734461       10.10609      0.4832893      1.526597  
1 1 1 9   5  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   5  24 o 2.690146  0.7341664     23.42637       9.002356  -2.769419      12.67334      1.575031       1.468333  
1 1 1 9   7  0  o 10.54776  0.3972185     117.9397       11.79482  105.3047       11.79980      0.6013396      0.7944371 
1 1 1 9   7  1  f 5.194789  0.2003546     29.23120       2.924395  24.83922       2.930630      0.4247562      0.4007093 
1 1 1 9   7  2  o 9.589991  0.4109956     94.78894       9.595551  88.17954       13.57300      0.3692271      0.8219911 
1 1 1 9   7  3  o 18.52266  0.6536698     371.7720       34.11469  319.1681       34.05500      1.425249       1.307340  
1 1 1 9   7  4  o 10.10347  0.3632787     105.8684       10.33616  99.09223       10.35131      0.3364516      0.7265575 
1 1 1 9   7  5  o 25.53780  0.9350616     667.1957       67.28995  662.1950       67.33153      0.9848027E-01  1.870123  
1 1 1 9   7  6  o 19.76732  0.7429327     418.8021       41.39082  374.0196       41.31180      1.136578       1.485865  
1 1 1 9   7  7  o 6.774543  0.2782758     45.62701       5.320788  46.65431       5.297106      -0.7625664E-01 0.5565517 
1 1 1 9   7  8  o 7.805767  0.3149862     57.75105       6.892060  64.72395       6.946045      -0.4481962     0.6299725 
1 1 1 9   7  9  o 8.364095  0.3232697     65.42415       7.557405  75.18440       7.660636      -0.5852149     0.6465394 
1 1 1 9   7  10 o 15.05454  0.5739887     218.4670       24.30910  239.4351       24.36123      -0.6986415     1.147977  
1 1 1 9   7  11 o 16.38606  0.6187851     268.0965       28.56937  275.0607       28.57633      -0.2130934     1.237570  
1 1 1 9   7  12 o 23.27404  0.8627842     532.3415       56.55336  571.4296       56.59610      -0.8421875     1.725568  
1 1 1 9   7  13 o 14.26410  0.5480957     202.4822       22.02106  208.7483       22.03464      -0.2202360     1.096191  
1 1 1 9   7  14 o 18.28438  0.7022061     336.3537       36.16336  344.8548       36.19017      -0.2329265     1.404412  
1 1 1 9   7  15 o 4.511425  0.3939649     21.18284       4.848454  20.35722       4.993294      0.9608407E-01  0.7879298 
1 1 1 9   7  16 o 5.020439  0.4140204     23.49550       5.649755  27.95571       5.859338      -0.4474593     0.8280408 
1 1 1 9   7  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   7  18 o 4.863618  0.4564588     22.82994       6.330876  26.00237       5.917274      -0.3476696     0.9129176 
1 1 1 9   7  19 o 10.62240  0.4643371     112.2438       13.86507  122.2707       13.88298      -0.4736368     0.9286742 
1 1 1 9   7  20 o 7.526422  0.4179086     56.22772       8.762585  62.60678       8.869916      -0.4223054     0.8358172 
1 1 1 9   7  21 f 5.599313  0.4609018     33.30076       7.079843  35.28273       7.243812      -0.1673637     0.9218037 
1 1 1 9   7  22 o 2.277306  0.6261553     9.657195       6.184033  0.2056894      6.461177      0.8594572      1.252311  
1 1 1 9   7  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   7  24 o 2.086244  0.6562514     4.490181       7.573345  8.576121       8.081032      -0.2552263     1.312503  
1 1 1 9   9  0  o 14.30393  0.5180231     230.5838       20.81805  181.4084       20.78345      1.726736       1.036046  
1 1 1 9   9  1  o 19.40434  0.7295557     386.9655       39.89545  374.8572       39.89053      0.3129098      1.459111  
1 1 1 9   9  2  o 24.78917  0.8934932     663.9595       62.42534  584.5687       62.31698      1.606672       1.786986  
1 1 1 9   9  3  f 8.500716  0.2985571     81.14886       7.154182  64.00575       7.101178      1.012368       0.5971142 
1 1 1 9   9  4  o 5.557546  0.2298879     31.20871       3.585397  30.84693       3.610329      0.3284443E-01  0.4597758 
1 1 1 9   9  5  o 14.00502  0.5220295     205.2998       20.59802  190.5802       20.59544      0.5272861      1.044059  
1 1 1 9   9  6  o 12.70551  0.4781165     172.8757       17.13029  152.6032       17.07350      0.8005947      0.9562329 
1 1 1 9   9  7  o 20.45138  0.7853886     435.4081       45.27535  418.5347       45.23228      0.4134250      1.570777  
1 1 1 9   9  8  o 17.00194  0.6474847     280.2809       30.97483  305.7377       31.03309      -0.7509274     1.294969  
1 1 1 9   9  9  o 20.05070  0.7530466     393.8183       42.48785  423.3646       42.58329      -0.7385262     1.506093  
1 1 1 9   9  10 o 18.48240  0.6861548     339.0469       35.71189  353.2138       35.76485      -0.3840286     1.372310  
1 1 1 9   9  11 o 16.80011  0.6427846     277.8443       30.40438  293.2744       30.44006      -0.4605048     1.285569  
1 1 1 9   9  12 o 3.689415  0.3379608     15.71947       3.365942  11.70736       3.476645      0.5613628      0.6759216 
1 1 1 9   9  13 f 13.98969  0.5485667     191.9085       21.58863  204.0753       21.63968      -0.4359785     1.097133  
1 1 1 9   9  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   9  15 o 15.39886  0.6151105     249.3912       26.68747  234.9883       26.65972      0.4690203      1.230221  
1 1 1 9   9  16 o 13.20231  0.5445293     183.9801       20.22736  172.4035       20.24861      0.4405007      1.089059  
1 1 1 9   9  17 f 4.505378  0.5333444     24.96406       6.159659  16.49917       7.057689      0.9989911      1.066689  
1 1 1 9   9  18 o 4.539115  0.5250663     33.72025       6.551609  11.17513       6.072073      2.507971       1.050133  
1 1 1 9   9  19 o 6.152332  0.4244215     33.70140       7.133254  45.24852       7.353515      -0.9436887     0.8488431 
1 1 1 9   9  20 o 2.029733  0.5952055     -0.6565827     5.634733  4.694178       5.927156      -0.5136011     1.190411  
1 1 1 9   9  21 o 2.850814  0.6521603     5.391810       6.169416  14.36401       6.526608      -1.061303      1.304321  
1 1 1 9   9  22 o 2.117150  0.6376615     1.425455       6.565080  6.258954       7.055479      -0.4055733     1.275323  
1 1 1 9   9  23 o 1.989179  0.6335260     5.544551       7.531232  0.3647856      7.679387      0.2948174      1.267052  
1 1 1 9   11 0  o 7.795263  0.3035082     67.88865       6.649563  54.19489       6.635095      0.8827998      0.6070164 
1 1 1 9   11 1  o 15.44616  0.5711968     265.4756       24.81917  216.6502       24.77344      1.587466       1.142394  
1 1 1 9   11 2  o 12.44742  0.4717657     173.6577       16.50834  138.7549       16.47091      1.408676       0.9435314 
1 1 1 9   11 3  o 9.813139  0.3657995     112.1660       10.05886  82.01168       10.02154      1.544045       0.7315990 
1 1 1 9   11 4  o 13.07061  0.4912427     191.2225       18.04518  153.5215       18.02234      1.449043       0.9824854 
1 1 1 9   11 5  o 17.43500  0.6504855     322.1272       31.95214  294.4838       31.93797      0.7954946      1.300971  
1 1 1 9   11 6  o 23.78724  0.8971639     630.1932       60.07984  528.9444       59.94999      2.136643       1.794328  
1 1 1 9   11 7  o 29.46605  1.147177      934.6729       95.25673  865.6496       95.12948      1.174098       2.294353  
1 1 1 9   11 8  o 27.84738  1.087982      805.2274       85.34467  794.4616       85.37411      0.1942106      2.175965  
1 1 1 9   11 9  o 11.06078  0.4327388     119.5422       13.45098  126.8100       13.51167      -0.3293137     0.8654777 
1 1 1 9   11 10 o 24.89808  0.9160320     641.9599       64.27900  624.5659       64.28611      0.3503605      1.832064  
1 1 1 9   11 11 o 46.20316  1.746983      2258.730       227.3971  2350.235       227.4674      -0.9921970     3.493966  
1 1 1 9   11 12 o 34.81458  1.357235      1309.912       133.1518  1255.599       133.0612      0.7812340      2.714470  
1 1 1 9   11 13 o 3.060229  1.227562      4.901040       11.44327  ?              ?             ?              ?         
1 1 1 9   11 14 o 8.020193  0.3875433     58.10175       8.628445  71.86772       8.796293      -0.8624270     0.7750866 
1 1 1 9   11 15 o 10.77694  0.4594925     119.4415       13.91432  116.7058       13.96643      0.1280849      0.9189849 
1 1 1 9   11 16 o 4.099127  1.170620      ?              ?         18.28398       10.07248      ?              ?         
1 1 1 9   11 17 o 2.618684  0.6334316     3.923292       6.094014  8.811764       5.575239      -0.5470548     1.266863  
1 1 1 9   11 18 o 2.452501  0.6231717     7.783899       5.526121  3.077694       5.817374      0.5215269      1.246343  
1 1 1 9   11 19 o 2.563632  0.6436407     8.176261       5.768774  5.119741       6.102425      0.3370644      1.287281  
1 1 1 9   11 20 o 3.543145  0.6465849     13.20168       6.391736  17.12229       6.701025      -0.4835855     1.293170  
1 1 1 9   11 21 o 3.507277  0.6421596     7.828652       6.722253  24.11315       7.296371      -1.879623      1.284319  
1 1 1 9   11 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   11 23 o 1.861989  0.6190023     2.337244       8.073119  0.6172017      8.651020      0.4799493E-01  1.238005  
1 1 1 9   13 0  o 7.374424  0.2908667     58.03749       6.034734  51.17140       6.037921      0.4676263      0.5817334 
1 1 1 9   13 1  o 12.53563  0.4818164     199.4129       16.68713  121.0887       16.61597      3.141412       0.9636329 
1 1 1 9   13 2  o 22.21035  0.8291393     554.5667       51.81509  453.2102       51.68919      2.291210       1.658279  
1 1 1 9   13 3  o 6.658389  0.2648255     47.12769       4.971186  41.88140       4.953746      0.3955459      0.5296509 
1 1 1 9   13 4  o 10.76194  0.4100454     131.2538       12.40613  102.0608       12.35129      1.362852       0.8200908 
1 1 1 9   13 5  o 20.83290  0.7861884     472.3382       46.11642  410.4980       46.07527      1.490195       1.572377  
1 1 1 9   13 6  o 20.03036  0.7336977     451.9318       41.34566  362.4302       41.21652      2.243488       1.467395  
1 1 1 9   13 7  o 5.924500  0.2703451     39.80810       4.453695  30.66027       4.512155      0.7783013      0.5406902 
1 1 1 9   13 8  o 12.34649  0.4895762     169.3299       16.98855  137.7377       16.96723      1.285984       0.9791524 
1 1 1 9   13 9  f 16.10020  0.5921694     254.3510       26.83741  269.5430       26.89460      -0.4728826     1.184339  
1 1 1 9   13 10 o 37.25879  1.403868      1502.901       147.4345  1426.884       147.3120      1.021676       2.807735  
1 1 1 9   13 11 o 32.32447  1.202447      1100.012       109.5442  1092.137       109.5543      0.1222896      2.404894  
1 1 1 9   13 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   13 13 o 7.477498  0.3767429     51.97130       7.832922  61.01054       7.970261      -0.6070383     0.7534857 
1 1 1 9   13 14 o 2.873992  0.6124784     10.16297       5.256324  6.344317       5.782547      0.4904916      1.224957  
1 1 1 9   13 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   13 16 o 6.720363  0.4286609     48.01609       8.214170  45.03701       7.908900      0.2158450      0.8573217 
1 1 1 9   13 17 f 5.776517  0.4759077     29.24840       7.577151  40.32952       7.543255      -0.9828699     0.9518154 
1 1 1 9   13 18 o 7.825457  0.4307201     65.19846       9.494377  63.61071       9.421609      0.9894995E-01  0.8614402 
1 1 1 9   13 19 o 5.405571  0.5084391     35.22136       7.436296  28.93944       7.670276      0.6148162      1.016878  
1 1 1 9   13 20 o 2.218790  0.6544946     2.321600       6.580028  5.893996       7.204197      -0.3397489     1.308989  
1 1 1 9   13 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   13 22 o 1.693391  0.5777665     -4.494209      7.902400  -3.118738      8.707178      -0.1128592     1.155533  
1 1 1 9   13 23 o 2.322325  0.7231160     18.15576       9.231883  8.882463       10.13407      0.5652893      1.446232  
1 1 1 9   15 0  o 19.95400  0.7612635     417.8089       42.78891  391.4005       42.79141      0.6640298      1.522527  
1 1 1 9   15 1  o 10.32147  0.4154484     110.7992       13.07261  104.5536       11.27038      0.2916243      0.8308967 
1 1 1 9   15 2  o 4.522808  0.2385330     22.66260       2.937903  18.29241       3.104948      0.4899292      0.4770661 
1 1 1 9   15 3  o 31.42195  1.171911      1132.619       103.5185  908.5356       103.2974      3.580542       2.343822  
1 1 1 9   15 4  o 17.90622  0.6770757     364.0714       34.06427  285.4055       33.97343      2.206990       1.354151  
1 1 1 9   15 5  o 23.94639  0.9203928     642.4771       61.98032  527.9510       61.89083      2.402290       1.840786  
1 1 1 9   15 6  o 18.62305  0.6909120     391.6751       36.19392  310.9924       36.06046      2.175593       1.381824  
1 1 1 9   15 7  o 22.61178  0.8522578     553.9294       54.28348  487.9795       54.21553      1.463731       1.704516  
1 1 1 9   15 8  f 11.70774  0.4481031     150.5356       14.75617  125.4869       14.74428      1.074758       0.8962061 
1 1 1 9   15 9  f 7.708901  0.3522236     64.35876       7.628371  55.19595       7.624195      0.5978975      0.7044473 
1 1 1 9   15 10 o 20.11639  0.7644957     426.3352       43.36750  401.9066       43.28281      0.6082541      1.528991  
1 1 1 9   15 11 o 15.97268  0.6338823     263.3578       28.49693  257.2546       28.54461      0.1922316      1.267765  
1 1 1 9   15 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   15 13 o 15.61533  0.6431533     261.6646       28.25025  240.6812       28.28369      0.6753179      1.286307  
1 1 1 9   15 14 o 11.87817  0.5213967     151.8819       17.41479  137.8111       17.42042      0.5953329      1.042793  
1 1 1 9   15 15 o 11.99347  0.5631227     143.4998       17.81953  158.0048       20.37972      -0.5353239     1.126245  
1 1 1 9   15 16 o 7.386256  0.4500301     59.98940       9.491382  53.74815       9.118316      0.4132596      0.9000603 
1 1 1 9   15 17 o 4.556512  0.6025715     15.56545       8.088595  29.49135       7.164743      -1.593301      1.205143  
1 1 1 9   15 18 o 5.039751  0.5326393     27.51438       7.050104  29.39890       7.711101      -0.1365033     1.065279  
1 1 1 9   15 19 o 2.089746  0.6414927     3.961415       6.839984  -0.7101505     7.474647      0.2635796      1.282985  
1 1 1 9   15 20 o 2.445087  0.8681145     16.84408       30.90336  -29.43183      22.02945      0.7921690      1.736229  
1 1 1 9   15 21 o 1.873443  0.6197703     5.175157       8.217411  -7.179745      9.014911      0.4757529      1.239541  
1 1 1 9   15 22 o 2.226792  0.7140340     9.661131       9.221226  12.30652       10.26616      -0.1031265     1.428068  
1 1 1 9   17 0  o 35.02385  1.376907      1359.042       135.7721  1204.073       135.6591      2.220706       2.753814  
1 1 1 9   17 1  o 8.590569  0.3299549     82.36682       7.996822  65.93979       7.923915      0.9603748      0.6599098 
1 1 1 9   17 2  o 21.72852  0.8125578     559.8841       49.39317  403.4267       49.26013      3.617974       1.625116  
1 1 1 9   17 3  o 11.06273  0.4090482     140.5638       12.71429  106.0457       12.64422      1.567362       0.8180963 
1 1 1 9   17 4  o 22.54344  0.8967136     576.1023       61.22335  468.4052       52.92310      2.317875       1.793427  
1 1 1 9   17 5  o 22.85914  0.8768375     573.3727       56.42421  494.4914       56.36555      1.732554       1.753675  
1 1 1 9   17 6  o 7.857767  0.3406772     74.79411       7.489702  50.07192       7.391966      1.583294       0.6813545 
1 1 1 9   17 7  f 5.742197  0.3297217     41.32874       5.229644  25.53482       5.184276      1.391966       0.6594434 
1 1 1 9   17 8  o 16.39721  0.6378732     293.4634       29.45190  253.1640       29.39932      1.233927       1.275746  
1 1 1 9   17 9  o 9.795135  0.4175849     99.65503       11.47979  94.22803       11.54484      0.2787981      0.8351699 
1 1 1 9   17 10 o 10.74428  1.016286      102.6078       30.64158  140.3643       29.13257      -1.849538      2.032572  
1 1 1 9   17 11 o 17.98737  0.7376961     346.9557       37.35860  323.5190       37.34938      0.6539205      1.475392  
1 1 1 9   17 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   17 13 o 6.358095  0.4705854     38.02912       8.017737  45.55163       8.638190      -0.5829813     0.9411708 
1 1 1 9   17 14 o 3.598907  0.7170399     11.93322       7.042381  17.08014       8.298206      -0.6059880     1.434080  
1 1 1 9   17 15 o 10.96871  0.4963760     131.3445       15.53673  121.5557       15.09309      0.4318867      0.9927521 
1 1 1 9   17 16 o 6.185499  0.5086801     40.61372       8.915528  41.91785       8.558722      -0.1276472     1.017360  
1 1 1 9   17 17 o 3.000584  0.7114951     11.09301       6.798378  10.38634       7.509960      0.7936761E-01  1.422990  
1 1 1 9   17 18 o 4.473437  0.6541694     16.70425       7.657351  33.31993       8.561893      -1.725609      1.308339  
1 1 1 9   17 19 o 2.771286  0.9500292     -18.03302      31.05062  20.95527       20.74511      -0.5473723     1.900058  
1 1 1 9   17 20 o 3.527958  0.8102124     20.65874       8.699919  24.79622       9.881237      -0.2148591     1.620425  
1 1 1 9   17 21 o 1.906918  0.6435590     8.127578       9.467832  -3.692422      10.61131      0.3792591      1.287118  
1 1 1 9   19 0  o 23.32034  0.9041799     596.9948       59.37050  519.8420       59.29319      1.660711       1.808360  
1 1 1 9   19 1  o 5.413290  0.2931114     31.70022       4.440202  27.24950       4.452066      0.4146118      0.5862228 
1 1 1 9   19 2  o 17.02306  0.7122139     326.9979       31.63228  260.1196       36.43166      2.029822       1.424428  
1 1 1 9   19 3  o 11.05641  0.4446653     161.4749       13.45833  89.27506       13.37999      3.285004       0.8893305 
1 1 1 9   19 4  o 4.931283  0.3116648     27.73530       4.271423  21.23461       4.284811      0.6680623      0.6233296 
1 1 1 9   19 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   19 6  o 20.73589  0.8914809     518.6086       47.64182  370.3855       54.75797      3.712991       1.782962  
1 1 1 9   19 7  o 11.12561  0.4495192     128.3177       14.04031  122.2925       14.12738      0.2726735      0.8990384 
1 1 1 9   19 8  o 9.071998  0.5254701     114.6791       14.33478  57.40289       11.85684      3.152025       1.050940  
1 1 1 9   19 9  o 8.783275  0.4181519     87.80753       10.27882  68.59238       10.28495      1.102382       0.8363039 
1 1 1 9   19 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   19 11 o 2.206497  0.6287619     4.664702       6.111404  -0.1142813     6.236486      0.4257133      1.257524  
1 1 1 9   19 12 o 10.53064  0.4944132     114.1377       14.51175  115.5396       14.77704      -0.6005159E-01 0.9888265 
1 1 1 9   19 13 o 8.147070  0.5151237     70.52132       10.96641  68.85922       12.70995      0.1675091      1.030247  
1 1 1 9   19 14 o 5.776992  0.5535759     37.43164       8.886339  34.87904       8.730874      0.2166311      1.107152  
1 1 1 9   19 15 o 6.422638  0.5440821     49.31297       9.893760  41.36918       9.433706      0.5978804      1.088164  
1 1 1 9   19 16 o 4.919121  0.6216664     31.56171       8.027347  24.57063       8.724027      0.8016173      1.243333  
1 1 1 9   19 17 o 1.907042  0.6177519     3.532782       7.601933  -10.02207      8.585829      0.5573183      1.235504  
1 1 1 9   19 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   19 19 o 3.340410  0.7939011     28.30468       9.397966  13.49117       10.57501      1.438152       1.587802  
1 1 1 9   19 20 o 3.188123  0.8596618     29.83067       10.38692  25.98839       12.02313      0.6079652      1.719324  
1 1 1 9   21 0  f 3.174928  0.4370564     9.558909       3.687034  11.44094       3.875430      -0.2949723     0.8741128 
1 1 1 9   21 1  o 7.259297  0.3516517     64.93820       7.109415  42.02147       7.026356      1.591367       0.7033035 
1 1 1 9   21 2  o 15.03380  0.7226757     255.4655       25.61096  202.9153       36.14590      1.939887       1.445351  
1 1 1 9   21 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   21 4  o 13.10705  0.5172424     199.6923       18.90489  150.0358       19.04072      1.906915       1.034485  
1 1 1 9   21 5  o 4.474090  0.4215961     24.59048       5.183990  16.20960       5.086776      0.9617150      0.8431922 
1 1 1 9   21 6  o 6.999305  0.3987394     59.39512       7.865275  40.34406       7.621079      1.372411       0.7974789 
1 1 1 9   21 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   21 8  o 11.36236  0.5098582     134.8964       16.30252  130.2675       16.29560      0.2044384      1.019716  
1 1 1 9   21 9  o 3.540644  0.6438535     7.237491       6.957483  18.84799       6.804628      -1.411685      1.287707  
1 1 1 9   21 10 o 5.333033  0.5336592     31.34802       7.939994  28.73796       7.702729      0.2405650      1.067318  
1 1 1 9   21 11 o 3.210225  0.7056738     15.08000       7.414357  7.032445       7.253350      0.9266827      1.411348  
1 1 1 9   21 12 o 3.493739  0.6595672     3.664603       7.621615  22.34726       7.576543      -2.048808      1.319134  
1 1 1 9   21 13 o 2.538766  0.6439795     -10.17396      7.768866  15.52559       8.029740      -1.967096      1.287959  
1 1 1 9   21 14 o 6.119949  0.5879509     47.01930       10.04476  38.07280       9.700690      0.7176996      1.175902  
1 1 1 9   21 15 o 2.853441  0.7366166     3.459138       7.795830  17.29739       8.975296      -1.270667      1.473233  
1 1 1 9   21 16 o 2.099622  0.6521066     9.983085       8.503781  -12.68516      9.505343      1.048285       1.304213  
1 1 1 9   21 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   21 18 o 2.951019  0.7984149     28.16981       10.25131  9.002569       11.52986      1.413156       1.596830  
1 1 1 9   23 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   23 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   23 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   23 3  o 3.654916  0.5256670     13.66985       4.901237  14.75831       5.679994      -0.1257595     1.051334  
1 1 1 9   23 4  o 2.313158  0.6042991     4.016504       4.773128  5.079246       5.775448      -0.2376437     1.208598  
1 1 1 9   23 5  o 7.984094  0.4152245     77.23851       9.202003  53.25946       9.208316      1.516929       0.8304490 
1 1 1 9   23 6  o 8.221966  0.4793787     74.20761       12.04409  66.45644       10.23791      0.4269501      0.9587574 
1 1 1 9   23 7  o 3.082479  0.7171509     2.353350       9.389130  13.57669       6.914406      -0.9392713     1.434302  
1 1 1 9   23 8  o 3.326682  0.6487211     1.303730       7.886508  19.87545       7.068069      -1.954241      1.297442  
1 1 1 9   23 9  f 8.304438  0.5227601     75.72349       12.28495  70.61619       12.00874      0.2984709      1.045520  
1 1 1 9   23 10 o 2.476219  0.6984597     10.85453       8.351682  -5.786227      8.560539      1.186975       1.396919  
1 1 1 9   23 11 o 2.915013  0.7598875     12.15537       8.682770  6.342993       8.094116      0.5714320      1.519775  
1 1 1 9   23 12 f 3.443457  0.7808098     19.43201       9.213300  11.01284       8.361971      0.8557827      1.561620  
1 1 1 9   23 13 o 3.801608  0.8124709     23.65353       9.911947  16.56604       9.212543      0.6797500      1.624942  
1 1 1 9   23 14 o 1.658051  0.5740119     -10.86148      8.368652  -11.52009      9.727502      -0.1270353     1.148024  
1 1 1 9   23 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   23 16 o 2.642747  0.7841479     18.97548       9.879959  6.184469       11.77795      0.8084310      1.568296  
1 1 1 9   25 0  o 5.093561  0.4854008     28.06156       6.490729  26.35346       7.185576      0.2001883      0.9708016 
1 1 1 9   25 1  o 4.533564  0.5505334     20.94781       6.057956  23.81005       7.926985      -0.2316909     1.101067  
1 1 1 9   25 2  o 13.31867  0.5807815     187.9541       23.24594  187.6297       20.54622      -0.8555613E-01 1.161563  
1 1 1 9   25 3  o 7.217759  0.4554829     61.05464       8.075330  45.73774       10.30582      1.163180       0.9109659 
1 1 1 9   25 4  o 5.988268  0.4463971     40.22062       7.281085  34.40036       7.586326      0.5059052      0.8927942 
1 1 1 9   25 5  o 5.684375  0.5222105     44.62698       7.859759  24.15576       7.974302      1.863485       1.044421  
1 1 1 9   25 6  o 6.520558  0.4861974     50.48951       9.078983  39.85396       8.521550      0.8006913      0.9723949 
1 1 1 9   25 7  o 9.579671  0.6266926     127.0331       14.59080  75.02372       17.27284      2.935541       1.253385  
1 1 1 9   25 8  o 4.506390  0.8093434     12.76347       9.863062  39.11434       12.17049      -2.398296      1.618687  
1 1 1 9   25 9  o 7.987490  0.5492400     83.03623       12.85980  59.79206       11.52449      1.370020       1.098480  
1 1 1 9   25 10 o 4.903932  0.7994435     32.57977       11.86211  30.79043       10.11343      -0.3484091E-01 1.598887  
1 1 1 9   25 11 o 3.546140  0.8537198     23.88989       11.12505  14.23477       9.721304      0.8052637      1.707440  
1 1 1 9   25 12 o 2.161677  0.7096236     -5.128780      11.43624  2.813556       9.814610      -0.2172362     1.419247  
1 1 1 9   25 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   27 0  o 2.509036  0.7012100     8.190868       6.766169  -0.5263398     9.170824      0.4897090      1.402420  
1 1 1 9   27 1  o 9.082248  0.4872745     97.76119       11.87121  78.84898       12.89431      1.112676       0.9745490 
1 1 1 9   27 2  f 2.035149  0.6285166     1.881918       6.873169  -1.411247      6.906009      0.2272173      1.257033  
1 1 1 9   27 3  o 3.033373  0.6537276     14.47823       6.186060  5.646933       7.037254      1.033502       1.307455  
1 1 1 9   27 4  o 7.799259  0.4671244     70.04116       9.992617  61.29840       10.39966      0.5932916      0.9342488 
1 1 1 9   27 5  o 3.607228  0.9142353     23.88927       14.27649  14.16162       10.10345      0.6953244      1.828471  
1 1 1 9   27 6  o 2.435205  0.8270175     -3.493926      14.61990  -20.86274      19.74455      0.1049078      1.654035  
1 1 1 9   27 7  o 2.198275  0.7528633     -20.31381      15.64949  -4.869339      13.76594      -0.2559559     1.505727  
1 1 1 9   27 8  o 2.361603  0.8002937     -10.92879      16.73837  -1.218632      14.33002      -0.1315658     1.600587  
1 1 1 9   27 9  o 2.435309  0.8302276     1.404420       18.10596  -5.286064      16.02528      0.2505311      1.660455  
1 1 1 9   27 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   27 11 o 2.228243  0.7869417     6.134525       21.53568  -16.88222      18.86567      0.4231275      1.573883  
1 1 1 9   29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   29 4  o 4.094811  1.248465      27.46650       11.15125  ?              ?             ?              ?         
1 1 1 9   29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   29 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 9   29 7  o 2.578560  0.8847470     21.08978       18.44555  -8.729068      25.73384      0.5187858      1.769494  
1 1 1 9   29 8  o 2.218531  0.7414159     -6.844576      13.73748  12.86442       12.29179      -0.5981638     1.482832  
1 1 1 10  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  0  5  o 3.061331  0.5207331     10.15281       2.911451  10.15281       2.911451      ?              ?         
1 1 1 10  0  6  o 14.55909  0.7625676     214.1311       22.06467  214.1311       22.06467      ?              ?         
1 1 1 10  0  7  o 12.92327  0.6727988     168.7130       17.28130  168.7130       17.28130      ?              ?         
1 1 1 10  0  8  o 26.68561  1.331047      725.1111       70.63451  725.1111       70.63451      ?              ?         
1 1 1 10  0  9  o 8.376491  0.4568889     70.89419       7.601853  70.89419       7.601853      ?              ?         
1 1 1 10  0  10 o 9.381083  0.5226467     88.99483       9.735874  88.99483       9.735874      ?              ?         
1 1 1 10  0  11 o 1.395959  0.6792961     2.874073       2.227340  2.874073       2.227340      ?              ?         
1 1 1 10  0  12 o 2.328148  0.6220221     6.463618       2.502435  6.463618       2.502435      ?              ?         
1 1 1 10  0  13 o 13.07471  0.6807129     172.7796       17.68946  172.7796       17.68946      ?              ?         
1 1 1 10  0  14 o 17.36757  0.9487746     306.1003       32.72948  306.1003       32.72948      ?              ?         
1 1 1 10  0  15 o 2.188981  0.8485691     6.572818       3.531574  6.572818       3.531574      ?              ?         
1 1 1 10  0  16 o 7.294950  0.5012723     54.11089       7.232884  54.11089       7.232884      ?              ?         
1 1 1 10  0  17 o 6.089769  0.5360615     38.09381       6.407393  38.09381       6.407393      ?              ?         
1 1 1 10  0  18 o 1.677956  1.128155      -3.977259      10.76501  -3.977259      10.76501      ?              ?         
1 1 1 10  0  19 o 1.055414  0.7376426     -5.516082      5.742857  -5.516082      5.742857      ?              ?         
1 1 1 10  0  20 o 2.419735  1.053714      8.729199       5.286998  8.729199       5.286998      ?              ?         
1 1 1 10  0  21 o 4.169936  0.8031772     19.88242       5.981365  19.88242       5.981365      ?              ?         
1 1 1 10  0  22 o 1.308084  0.8540323     0.2006208      5.470900  0.2006208      5.470900      ?              ?         
1 1 1 10  0  23 o 2.734720  1.135800      12.19081       6.188542  12.19081       6.188542      ?              ?         
1 1 1 10  0  24 o 1.522488  0.9737076     3.135158       6.639095  3.135158       6.639095      ?              ?         
1 1 1 10  0  25 o 1.466145  0.9683358     3.341153       7.347055  3.341153       7.347055      ?              ?         
1 1 1 10  2  0  o 16.23603  0.6040470     272.1696       27.64155  257.7575       27.62787      0.4451834      1.208094  
1 1 1 10  2  1  f 41.46852  1.572904      1780.095       183.8376  1735.928       183.7630      0.5337683      3.145808  
1 1 1 10  2  2  f 18.68811  0.6964928     352.9759       36.68448  350.2484       36.68542      0.7318557E-01  1.392986  
1 1 1 10  2  3  o 28.37610  1.062599      820.3021       79.50388  809.2076       91.76196      0.2496544      2.125197  
1 1 1 10  2  4  o 28.47726  1.850518      845.2433       127.6010  844.5591       180.4117      0.4716648      3.701035  
1 1 1 10  2  5  o 29.28353  1.400566      785.4214       104.2320  990.4223       127.8765      -3.343256      2.801132  
1 1 1 10  2  6  o 15.08776  0.8141518     211.9539       34.40768  249.1031       34.42096      -1.241270      1.628304  
1 1 1 10  2  7  o 29.46598  1.614983      785.5657       132.5339  1044.407       132.8042      -4.434613      3.229967  
1 1 1 10  2  8  o 35.36391  1.993168      1146.653       195.1876  1613.041       195.9360      -6.656378      3.986336  
1 1 1 10  2  9  o 22.20159  1.192113      440.1167       73.64550  589.0953       73.95594      -3.384418      2.384225  
1 1 1 10  2  10 o 10.24746  0.5717656     87.59750       16.23688  125.4738       16.30676      -1.868242      1.143531  
1 1 1 10  2  11 o 19.38646  1.078165      348.4120       58.43412  427.3236       58.48483      -2.054142      2.156331  
1 1 1 10  2  12 o 2.317065  0.4887141     4.679018       3.615816  6.071719       3.342371      -0.2234242     0.9774283 
1 1 1 10  2  13 f 7.047657  0.4489177     39.49017       8.738263  60.99643       8.680752      -1.550097      0.8978354 
1 1 1 10  2  14 o 10.33254  0.5961401     92.72578       17.17365  123.5262       17.15386      -1.507728      1.192280  
1 1 1 10  2  15 o 18.89020  0.8535636     368.7634       55.55601  366.3779       39.28694      -0.1435353     1.707127  
1 1 1 10  2  16 o 21.24366  0.8362643     445.6747       49.97773  487.0365       50.05886      -0.9761599     1.672529  
1 1 1 10  2  17 o 19.86230  0.7959375     405.4929       44.51136  416.3534       44.54620      -0.2736628     1.591875  
1 1 1 10  2  18 o 14.85767  0.6048651     232.9260       25.30157  223.8776       25.31322      0.3058389      1.209730  
1 1 1 10  2  19 o 3.605419  0.6024129     14.31613       6.012889  13.94634       6.079175      0.5102701E-01  1.204826  
1 1 1 10  2  20 f 3.968647  0.5764603     21.30090       6.974504  13.81421       5.600961      0.8709522      1.152921  
1 1 1 10  2  21 o 5.190936  0.4432236     29.91142       6.369944  27.87021       6.373599      0.2001519      0.8864472 
1 1 1 10  2  22 o 3.118328  0.6205336     10.01729       5.766964  13.68285       5.752363      -0.4994732     1.241067  
1 1 1 10  2  23 o 2.302161  0.6978981     1.168641       8.462867  8.946851       8.296165      -0.5111182     1.395796  
1 1 1 10  2  24 o 2.372962  0.6650200     10.35282       6.659104  6.913921       6.766826      0.3225315      1.330040  
1 1 1 10  2  25 o 3.622905  0.7533824     27.53835       8.161355  25.01515       8.398169      0.3594239      1.506765  
1 1 1 10  4  0  o 11.05561  0.4431969     120.1352       12.90108  126.2335       14.90958      -0.2683227     0.8863938 
1 1 1 10  4  1  o 34.76255  1.323534      1184.922       129.5645  1274.454       129.6328      -1.291963      2.647069  
1 1 1 10  4  2  o 40.41151  1.508122      1685.166       171.7599  1658.804       171.7706      0.3271623      3.016245  
1 1 1 10  4  3  o 20.22793  0.7075801     418.2625       40.36697  406.0826       40.34101      0.3017481      1.415160  
1 1 1 10  4  4  o 48.58919  1.776004      2447.513       243.1218  2455.893       243.3767      -0.8450399E-01 3.552007  
1 1 1 10  4  5  o 46.48123  1.736711      2098.182       227.0286  2404.483       227.3941      -3.305406      3.473422  
1 1 1 10  4  6  f 33.97943  1.271819      1188.598       121.8061  1190.889       121.7876      -0.3396723E-01 2.543637  
1 1 1 10  4  7  o 14.23358  0.5283103     200.7568       21.19913  208.0218       21.18506      -0.2560505     1.056621  
1 1 1 10  4  8  o 7.842098  0.3010005     59.17831       6.635529  64.38641       6.660058      -0.3331143     0.6020010 
1 1 1 10  4  9  o 12.80077  0.4751913     159.5007       17.11065  171.0822       17.16490      -0.4534765     0.9503826 
1 1 1 10  4  10 o 17.73624  0.6734722     314.5881       33.63806  324.1803       33.67862      -0.2709019     1.346944  
1 1 1 10  4  11 o 15.81395  0.6116403     252.2044       27.24909  253.9959       27.25789      -0.5675443E-01 1.223281  
1 1 1 10  4  12 f 28.20099  1.063779      815.1691       84.56029  820.1508       84.52838      -0.8888198E-01 2.127558  
1 1 1 10  4  13 o 26.12404  0.9964641     692.4509       73.34881  708.3266       73.35586      -0.3047046     1.992928  
1 1 1 10  4  14 o 8.266689  0.3530222     70.22473       8.186880  67.37311       8.242350      0.1735744      0.7060443 
1 1 1 10  4  15 o 16.03730  0.6939367     207.9183       26.09867  326.1897       37.11638      -3.573050      1.387873  
1 1 1 10  4  16 o 16.67682  0.9645157     236.6691       44.40693  347.2024       44.65401      -3.350154      1.929031  
1 1 1 10  4  17 o 8.323549  0.5920129     55.43597       13.46332  87.30811       13.53344      -1.949791      1.184026  
1 1 1 10  4  18 o 10.12931  0.6546990     91.91076       18.46697  122.0942       18.38522      -1.513451      1.309398  
1 1 1 10  4  19 o 8.164835  0.6100008     63.50801       13.84166  77.54130       13.80374      -0.8750330     1.220002  
1 1 1 10  4  20 o 6.472948  0.6026251     30.88627       9.772640  61.45029       11.11541      -2.350409      1.205250  
1 1 1 10  4  21 o 2.575458  0.7029408     1.410126       6.915836  11.97733       8.561460      -1.048781      1.405882  
1 1 1 10  4  22 o 2.699689  0.7413937     5.678977       7.206464  13.09909       9.463896      -0.7010003     1.482787  
1 1 1 10  4  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  4  24 o 1.857290  0.6318336     -3.715698      8.320543  3.132354       11.43043      -0.3990673     1.263667  
1 1 1 10  6  0  o 21.34583  0.8096017     487.3688       48.67439  431.6576       48.62912      1.310101       1.619203  
1 1 1 10  6  1  o 18.32463  0.6975405     326.7405       35.99184  349.8593       36.02107      -0.6328656     1.395081  
1 1 1 10  6  2  o 53.65079  2.010697      2987.204       303.9548  3050.159       304.0741      -0.5873973     4.021395  
1 1 1 10  6  3  f 35.92228  1.271034      1374.599       128.7294  1262.519       128.5927      1.564216       2.542067  
1 1 1 10  6  4  o 16.21591  0.5577098     255.5540       25.47652  273.6357       25.51072      -0.5589781     1.115420  
1 1 1 10  6  5  o 18.95629  0.7034475     345.5004       37.52480  380.6749       37.59270      -0.9307558     1.406895  
1 1 1 10  6  6  o 23.68975  0.8972052     582.6473       59.90913  563.0418       59.87275      0.4147646      1.794410  
1 1 1 10  6  7  o 14.70558  0.5399258     227.3609       22.39573  209.3421       22.34221      0.6143542      1.079852  
1 1 1 10  6  8  o 7.725614  0.3039925     55.80740       6.600854  64.07748       6.615028      -0.5375615     0.6079851 
1 1 1 10  6  9  f 29.62484  1.121871      875.8686       93.54256  946.1348       93.68702      -1.188350      2.243743  
1 1 1 10  6  10 o 11.21328  0.4249492     122.8436       13.38776  130.4081       13.46115      -0.3379409     0.8498984 
1 1 1 10  6  11 o 21.77880  0.8303527     468.9882       50.91681  496.9405       50.97425      -0.6434089     1.660705  
1 1 1 10  6  12 o 13.28321  0.5162961     170.7796       19.29738  184.9894       19.32914      -0.5366677     1.032592  
1 1 1 10  6  13 o 21.07696  0.7935716     443.5748       47.12035  461.3915       47.14181      -0.4237770     1.587143  
1 1 1 10  6  14 o 11.28638  0.4543886     121.5416       14.40365  135.4080       14.46267      -0.6164814     0.9087771 
1 1 1 10  6  15 o 4.543775  0.7380502     24.77372       8.768731  17.53530       10.37092      0.7690960      1.476100  
1 1 1 10  6  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  6  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  6  18 o 7.343192  0.4127391     52.48095       8.410515  57.93765       8.580565      -0.3705981     0.8254782 
1 1 1 10  6  19 o 8.015459  0.4396940     66.32991       9.816876  67.00471       9.965489      -0.3778649E-01 0.8793879 
1 1 1 10  6  20 f 4.170879  0.5096363     21.91764       5.726859  15.35411       5.843760      0.8165808      1.019273  
1 1 1 10  6  21 o 3.259328  0.6095959     14.35489       5.706020  10.48612       5.829434      0.5355955      1.219192  
1 1 1 10  6  22 o 3.003901  0.6353876     6.724873       6.094599  16.08050       6.259017      -1.158144      1.270775  
1 1 1 10  6  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  6  24 f 2.125543  0.6511848     9.828919       7.215359  3.476579       7.681190      0.4303845      1.302370  
1 1 1 10  8  0  o 5.973018  0.2382156     38.39626       3.975757  33.09081       4.029147      0.4466926      0.4764312 
1 1 1 10  8  1  o 4.571879  0.2004984     21.74210       2.533663  20.16343       2.626474      0.1742883      0.4009968 
1 1 1 10  8  2  o 23.45855  0.8309319     574.3456       54.95857  540.6247       54.92299      0.7206433      1.661864  
1 1 1 10  8  3  o 25.79572  0.8900292     736.6850       64.66034  615.1417       64.53178      2.364319       1.780058  
1 1 1 10  8  4  o 14.61935  0.5365055     222.2619       22.10119  208.7045       22.10137      0.4651559      1.073011  
1 1 1 10  8  5  o 19.24013  0.7160313     373.2288       38.80032  378.4829       38.85568      -0.1365055     1.432063  
1 1 1 10  8  6  o 7.373549  0.2739067     58.27221       5.706137  50.87121       5.664889      0.5035945      0.5478135 
1 1 1 10  8  7  o 7.605851  0.2958623     57.70944       6.365975  58.62078       6.314507      -0.6044621E-01 0.5917246 
1 1 1 10  8  8  o 14.09828  0.5326390     199.9248       21.16397  201.9492       21.16034      -0.7203297E-01 1.065278  
1 1 1 10  8  9  o 27.87954  1.048265      769.0026       82.23998  832.8291       82.40414      -1.146965      2.096529  
1 1 1 10  8  10 o 15.57194  0.5896831     237.2475       25.82786  252.7800       25.90947      -0.4998503     1.179366  
1 1 1 10  8  11 o 23.44873  0.8745686     549.8840       57.75414  571.4068       57.82771      -0.4597150     1.749137  
1 1 1 10  8  12 o 14.54023  0.5526026     215.2311       22.64936  211.9359       22.63521      0.1135579      1.105205  
1 1 1 10  8  13 o 13.66517  0.5262212     187.5481       20.24961  190.0262       20.27407      -0.9076258E-01 1.052442  
1 1 1 10  8  14 o 10.04166  0.4216784     99.72440       11.90075  103.9221       11.94074      -0.2094627     0.8433568 
1 1 1 10  8  15 o 7.984915  0.3785316     65.13580       8.445616  63.78597       8.553917      0.8608025E-01  0.7570632 
1 1 1 10  8  16 o 9.924031  0.4292849     94.04848       11.88247  105.7669       12.07867      -0.5906938     0.8585699 
1 1 1 10  8  17 o 1.878748  0.5727723     -2.117358      5.492788  1.341373       5.720970      -0.3204232     1.145545  
1 1 1 10  8  18 o 16.97813  0.7070323     297.3234       33.77806  318.7415       33.79631      -0.6327226     1.414065  
1 1 1 10  8  19 o 7.373829  0.4263075     52.80357       8.994682  60.03353       8.619538      -0.5086100     0.8526151 
1 1 1 10  8  20 o 2.015863  0.5896817     -0.1657947     5.465634  4.244374       5.745378      -0.4404653     1.179363  
1 1 1 10  8  21 o 1.607757  0.5285784     -1.190461      5.800194  -6.269907      5.996311      0.2531575      1.057157  
1 1 1 10  8  22 o 2.587518  0.6636367     5.570960       6.323111  11.92359       6.605634      -0.6843839     1.327273  
1 1 1 10  8  23 o 1.706224  0.5600485     -7.587189      6.804371  4.536500       7.205264      -0.6385748     1.120097  
1 1 1 10  8  24 o 2.639139  0.7004342     6.334223       7.862007  23.18686       8.305738      -1.365606      1.400868  
1 1 1 10  10 0  o 12.79341  0.5143675     185.7551       19.90095  146.1620       17.21679      1.534218       1.028735  
1 1 1 10  10 1  o 9.233736  0.3499555     85.87679       9.091270  85.63319       9.121536      0.1340847E-01  0.6999111 
1 1 1 10  10 2  o 15.17031  0.5537705     246.9854       23.67153  217.4399       23.63831      0.9773560      1.107541  
1 1 1 10  10 3  o 10.39492  0.3916023     118.4771       11.46862  98.86408       11.42523      0.9474243      0.7832047 
1 1 1 10  10 4  o 17.71474  0.6559635     338.8124       32.72496  297.2910       32.70382      1.176506       1.311927  
1 1 1 10  10 5  o 5.184555  0.2323630     28.87714       3.379712  25.07243       3.390663      0.3691588      0.4647259 
1 1 1 10  10 6  o 26.63285  0.9920375     764.5234       74.45231  697.4622       74.38351      1.262786       1.984075  
1 1 1 10  10 7  o 27.94502  1.038140      869.8901       81.73026  740.6232       81.50901      2.320448       2.076281  
1 1 1 10  10 8  o 21.39147  0.8059227     483.6728       48.59319  448.2916       48.53347      0.8293691      1.611845  
1 1 1 10  10 9  o 12.45146  0.4908880     167.1114       17.19152  145.1560       17.20172      0.8857868      0.9817759 
1 1 1 10  10 10 o 9.266641  0.3812754     82.16664       9.893999  90.56904       9.992208      -0.4546569     0.7625509 
1 1 1 10  10 11 o 13.49147  0.5074807     178.2087       19.25418  188.9535       19.32588      -0.3990349     1.014961  
1 1 1 10  10 12 o 25.59171  0.9550493     680.4071       68.89175  666.9014       68.87421      0.2644427      1.910099  
1 1 1 10  10 13 o 3.559983  0.4215221     13.59498       4.076108  12.54528       4.109776      0.1517795      0.8430442 
1 1 1 10  10 14 o 28.54227  1.130053      873.6367       90.86942  852.8721       90.84832      0.3645453      2.260107  
1 1 1 10  10 15 o 8.739531  0.4100701     76.40625       10.02031  78.51128       10.13772      -0.1195295     0.8201401 
1 1 1 10  10 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  10 17 o 5.400406  0.4609579     29.53606       6.675362  31.08282       7.142869      -0.1310897     0.9219158 
1 1 1 10  10 18 o 7.086787  0.4486519     57.99284       8.763348  46.02230       8.957008      0.8624746      0.8973037 
1 1 1 10  10 19 o 6.347824  0.4568187     39.38298       8.336516  45.52346       7.826716      -0.5165048     0.9136373 
1 1 1 10  10 20 o 5.978881  0.4538867     33.57933       7.387487  43.75475       7.634250      -0.8484854     0.9077733 
1 1 1 10  10 21 o 3.993043  0.6226193     20.46925       6.731321  19.11058       6.974135      0.1975849      1.245239  
1 1 1 10  10 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  10 23 o 3.307689  0.6862582     8.551311       7.715518  29.14551       8.201665      -2.045717      1.372516  
1 1 1 10  12 0  f 18.66377  0.6906317     384.5831       36.27710  322.7704       36.23190      1.662916       1.381263  
1 1 1 10  12 1  o 7.849085  0.3136456     74.96675       6.815468  49.59968       6.849846      1.626171       0.6272913 
1 1 1 10  12 2  o 13.64641  0.5111011     207.6937       19.61837  168.3080       19.57423      1.449614       1.022202  
1 1 1 10  12 3  o 5.749884  0.2576700     36.33039       4.545081  30.55832       3.838005      0.4971903      0.5153400 
1 1 1 10  12 4  o 7.902604  0.3037992     66.62734       6.774912  58.81930       6.740717      0.4958343      0.6075984 
1 1 1 10  12 5  o 16.12003  0.6086987     285.0323       27.61189  240.6540       27.58594      1.382559       1.217397  
1 1 1 10  12 6  o 36.01299  1.360763      1478.689       137.8988  1239.953       137.6823      3.327185       2.721527  
1 1 1 10  12 7  o 14.60673  0.5477389     228.7529       22.55905  201.6275       22.48900      0.9318094      1.095478  
1 1 1 10  12 8  o 9.901517  0.4059538     106.6088       11.32331  90.54452       11.27682      0.8150521      0.8119075 
1 1 1 10  12 9  o 1.752196  0.4290690     1.777320       2.610932  3.656802       2.664789      -0.3453362     0.8581379 
1 1 1 10  12 10 o 23.16077  0.8648674     549.5927       56.43418  546.2565       56.47610      0.7259756E-01  1.729735  
1 1 1 10  12 11 o 21.28075  0.8058398     465.6510       48.32713  459.8844       48.32619      0.1358765      1.611680  
1 1 1 10  12 12 o 16.52112  0.6347507     282.9228       29.54837  272.3062       29.54289      0.3222754      1.269501  
1 1 1 10  12 13 o 4.398580  0.4156197     21.63175       4.943117  17.68325       5.108407      0.4642088      0.8312393 
1 1 1 10  12 14 o 20.02245  0.8100391     438.0881       45.66655  395.1665       45.62393      1.075751       1.620078  
1 1 1 10  12 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  12 16 o 15.45375  0.6472594     259.0186       28.17582  241.0836       28.12805      0.5814376      1.294519  
1 1 1 10  12 17 o 10.71707  0.5004228     122.6521       15.02246  116.7879       15.13908      0.2785222      1.000846  
1 1 1 10  12 18 o 5.346185  0.4895536     35.64662       7.261948  24.95526       7.046380      1.015434       0.9791072 
1 1 1 10  12 19 o 4.005507  0.6356740     18.42384       7.378379  18.97450       6.737457      -0.1158532     1.271348  
1 1 1 10  12 20 o 5.293053  0.5259764     35.77086       7.463702  27.65304       7.767303      0.8224257      1.051953  
1 1 1 10  12 21 o 2.358543  0.6773738     4.776708       6.901532  8.378023       7.336446      -0.3247024     1.354748  
1 1 1 10  12 22 o 1.911667  0.6162715     -1.181324      7.193880  5.078692       7.772221      -0.3865241     1.232543  
1 1 1 10  12 23 o 2.714126  0.7423788     10.31825       8.266754  24.41591       9.093908      -1.050015      1.484758  
1 1 1 10  14 0  o 26.79474  1.017307      804.3076       76.67940  672.2429       76.60310      2.475157       2.034613  
1 1 1 10  14 1  o 19.07906  0.6943192     416.8815       37.20276  322.2107       37.10809      2.492038       1.388638  
1 1 1 10  14 2  o 7.933257  0.3154833     70.17062       7.024783  56.26708       7.027903      0.8810404      0.6309665 
1 1 1 10  14 3  o 13.56283  0.4948476     194.6104       18.90844  176.0764       18.90252      0.6856822      0.9896952 
1 1 1 10  14 4  f 5.855242  0.2525079     35.73127       4.169571  33.14545       4.150397      0.2216317      0.5050159 
1 1 1 10  14 5  o 3.824546  0.2561223     16.37152       2.729346  13.05597       2.724092      0.4393266      0.5122446 
1 1 1 10  14 6  o 14.54797  0.5468821     235.1527       22.39824  191.7356       22.31753      1.498744       1.093764  
1 1 1 10  14 7  o 9.664795  0.3714057     103.4846       10.11723  84.28401       10.05459      0.9977868      0.7428114 
1 1 1 10  14 8  o 27.89112  1.077128      836.3762       84.64519  766.4187       84.55312      1.257937       2.154256  
1 1 1 10  14 9  o 14.73029  0.5835343     240.7397       24.17684  198.0270       24.12597      1.456896       1.167069  
1 1 1 10  14 10 o 5.238943  0.3294818     22.48788       4.683133  33.03609       4.880792      -1.017518      0.6589636 
1 1 1 10  14 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  14 12 o 1.907210  0.5408161     0.9186362      4.271792  2.720436       4.675912      -0.2691059     1.081632  
1 1 1 10  14 13 o 3.656590  0.5453587     16.92608       5.372163  10.48686       5.740776      0.8760148      1.090717  
1 1 1 10  14 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  14 15 o 2.804970  0.6648397     9.922835       6.155431  5.228662       6.585325      0.5250596      1.329679  
1 1 1 10  14 16 o 7.674993  0.4581725     65.13912       9.736828  56.80617       9.941543      0.5546621      0.9163449 
1 1 1 10  14 17 f 5.150813  0.5250062     28.81454       7.500003  28.36426       7.357922      0.3682848E-01  1.050012  
1 1 1 10  14 18 o 3.143043  0.5756131     23.26418       7.148364  -4.212059      6.775002      2.792865       1.151226  
1 1 1 10  14 19 o 2.313309  0.6581612     5.828914       6.361759  3.582569       6.948266      0.1596489      1.316322  
1 1 1 10  14 20 o 3.349990  0.6884490     9.262863       6.905023  21.81386       7.698870      -1.391611      1.376898  
1 1 1 10  14 21 o 2.197078  0.6731132     2.776568       7.568377  8.530788       8.088515      -0.4075226     1.346226  
1 1 1 10  14 22 o 2.127727  0.6757509     8.749792       8.161979  5.689965       8.950574      0.1704903      1.351502  
1 1 1 10  16 0  o 13.44337  0.5049231     198.0948       19.09773  165.9437       19.08148      1.201160       1.009846  
1 1 1 10  16 1  o 17.05780  0.6339630     342.9889       30.28481  247.0455       30.15299      2.825830       1.267926  
1 1 1 10  16 2  o 24.39189  0.8480994     753.3542       57.31231  469.7058       57.05444      5.839581       1.696199  
1 1 1 10  16 3  o 11.92035  0.4562579     153.6855       15.30688  132.2416       15.29846      0.9034389      0.9125158 
1 1 1 10  16 4  o 5.552532  0.2892959     34.75930       4.937422  27.76434       4.127052      0.6249133      0.5785918 
1 1 1 10  16 5  o 29.59102  1.123205      1009.819       93.35880  798.3317       93.18342      3.589696       2.246410  
1 1 1 10  16 6  o 35.17131  1.343689      1414.174       132.9882  1178.371       132.7071      3.364555       2.687378  
1 1 1 10  16 7  o 5.841781  0.3131275     31.25304       5.103559  37.41277       5.143250      -0.5312073     0.6262550 
1 1 1 10  16 8  o 14.56290  0.5646654     227.8127       23.16109  201.4095       23.12941      0.9101189      1.129331  
1 1 1 10  16 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  16 10 o 6.886732  0.3651552     47.52846       6.959001  48.43500       7.166962      -0.6383593E-01 0.7303103 
1 1 1 10  16 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  16 12 o 11.76354  0.4960091     147.7780       16.35756  134.0761       16.47634      0.5868519      0.9920181 
1 1 1 10  16 13 o 3.354115  0.6676673     12.18968       6.606070  11.85054       6.596292      0.4351036E-01  1.335335  
1 1 1 10  16 14 o 26.10525  1.129979      809.5377       83.04417  761.1204       82.95448      0.9270705      2.259958  
1 1 1 10  16 15 o 11.69619  0.5527102     161.4423       18.06932  126.2997       18.11622      1.515575       1.105420  
1 1 1 10  16 16 o 2.511402  0.7022440     7.321996       7.091548  1.195550       8.190723      0.4192487      1.404488  
1 1 1 10  16 17 o 5.308116  0.5662295     27.81106       8.393627  34.49486       8.038454      -0.6766484     1.132459  
1 1 1 10  16 18 o 5.881431  0.5538231     38.98090       9.312620  40.43940       8.681336      -0.1904626     1.107646  
1 1 1 10  16 19 o 4.449740  0.6425508     34.10756       7.844700  16.28310       8.431531      2.017519       1.285102  
1 1 1 10  16 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  16 21 f 2.109653  0.6679769     11.91288       8.333404  -0.5790028     9.409384      0.6366687      1.335954  
1 1 1 10  18 0  o 8.187024  0.3403244     81.24027       7.743209  54.25817       7.736328      1.658661       0.6806488 
1 1 1 10  18 1  o 17.72304  0.6496338     373.1948       32.22487  265.5860       32.07708      3.049915       1.299268  
1 1 1 10  18 2  o 13.96904  0.5338612     223.3762       20.89091  171.0917       20.91116      1.881470       1.067722  
1 1 1 10  18 3  f 8.034647  0.3354892     76.12877       7.569077  54.10595       7.478908      1.378472       0.6709784 
1 1 1 10  18 4  o 15.02876  0.5817789     250.0067       24.59344  207.1298       24.55835      1.433194       1.163558  
1 1 1 10  18 5  o 11.03024  0.4383104     128.9533       13.56655  116.3355       13.65223      0.5751030      0.8766209 
1 1 1 10  18 6  o 18.20940  0.6980481     369.4716       35.74559  306.5082       35.71536      1.736899       1.396096  
1 1 1 10  18 7  o 13.87448  1.180924      211.7478       45.10838  199.5306       45.67634      0.4600371      2.361848  
1 1 1 10  18 8  o 15.34947  0.6094682     269.8097       26.27293  210.7176       26.19664      1.934582       1.218936  
1 1 1 10  18 9  o 6.980791  0.7153710     46.35379       13.39676  55.46849       13.96266      -0.6545539     1.430742  
1 1 1 10  18 10 o 11.03939  0.4821920     146.2747       14.93723  102.5690       14.73831      1.990411       0.9643839 
1 1 1 10  18 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  18 12 o 11.45231  0.5266768     143.4479       16.92340  127.0065       16.97348      0.7231295      1.053354  
1 1 1 10  18 13 o 9.264544  0.4760162     88.42056       12.23871  89.55627       12.54353      -0.5320843E-01 0.9520323 
1 1 1 10  18 14 o 11.80758  0.5578677     150.0352       18.23636  145.9582       18.82182      0.1968637      1.115735  
1 1 1 10  18 15 o 9.955345  0.5536066     109.3360       14.60114  104.5763       16.48224      0.3429126      1.107213  
1 1 1 10  18 16 o 2.608324  0.7274539     7.380379       8.043123  5.553879       7.797925      0.1749222      1.454908  
1 1 1 10  18 17 o 3.119725  0.7652438     13.74836       8.361856  11.92136       8.146921      0.1829239      1.530488  
1 1 1 10  18 18 o 2.569229  0.7255211     5.384737       7.760566  11.86905       8.463721      -0.5510617     1.451042  
1 1 1 10  18 19 o 2.180471  1.105417      ?              ?         -21.98703      24.55210      ?              ?         
1 1 1 10  18 20 o 2.269761  0.7168399     9.067310       8.793856  9.931690       10.07891      -0.2886405E-01 1.433680  
1 1 1 10  20 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  20 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  20 2  o 4.888074  0.3482358     22.11537       4.659327  26.30289       4.816869      -0.4313326     0.6964716 
1 1 1 10  20 3  o 8.961985  0.4333964     95.10966       9.975570  66.73233       11.53788      1.618398       0.8667929 
1 1 1 10  20 4  o 9.556105  0.3970629     105.5895       10.61214  78.98960       10.61952      1.400568       0.7941259 
1 1 1 10  20 5  o 26.02828  1.032668      749.6748       75.63346  679.7469       75.68950      1.350039       2.065337  
1 1 1 10  20 6  o 11.13904  0.4787422     138.0623       16.08399  115.1850       14.01794      1.004527       0.9574845 
1 1 1 10  20 7  o 11.20409  0.4902775     140.5495       15.36375  114.6764       15.46643      1.163453       0.9805551 
1 1 1 10  20 8  o 8.497869  1.527477      80.12723       25.00635  ?              ?             ?              ?         
1 1 1 10  20 9  o 2.924365  0.6790476     11.39397       6.796537  5.640487       6.479759      0.6975370      1.358095  
1 1 1 10  20 10 o 6.607695  0.4574311     53.93913       8.396414  35.91944       8.254242      1.383430       0.9148623 
1 1 1 10  20 11 o 6.558244  0.4912264     42.06602       8.962045  47.46371       8.957804      -0.4174612     0.9824528 
1 1 1 10  20 12 o 6.683628  0.4962548     52.79217       9.226501  40.79137       9.150425      0.9103637      0.9925095 
1 1 1 10  20 13 o 2.528208  0.7123898     7.081791       7.560109  1.983708       8.044610      0.3864200      1.424780  
1 1 1 10  20 14 o 2.912269  0.7606099     11.41689       7.863622  5.804257       9.273129      0.4454949      1.521220  
1 1 1 10  20 15 o 2.236073  0.6884179     1.214908       7.782343  2.483104       8.555511      -0.1567570     1.376836  
1 1 1 10  20 16 o 2.554247  0.7529944     6.632654       9.186901  6.994268       8.891204      -0.1330857E-01 1.505989  
1 1 1 10  20 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  20 18 f 4.217198  0.8254979     29.76048       9.754747  32.05361       10.67286      -0.2313930E-01 1.650996  
1 1 1 10  20 19 o 2.206424  0.7162955     6.570827       9.656811  12.77241       10.78889      -0.2736180     1.432591  
1 1 1 10  22 0  f 5.804433  0.3859371     38.87366       6.368544  29.60499       6.092631      0.8039482      0.7718742 
1 1 1 10  22 1  o 8.484820  0.3890888     79.33591       9.032976  66.00085       9.507488      0.7980947      0.7781776 
1 1 1 10  22 2  o 3.486122  0.5194611     12.05689       4.740748  13.65773       5.198211      -0.2176527     1.038922  
1 1 1 10  22 3  o 11.06127  0.5041688     150.3273       14.01842  99.30331       16.54643      2.369825       1.008338  
1 1 1 10  22 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  22 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  22 6  o 8.602805  0.4365447     87.70251       10.37371  63.41097       10.54358      1.428735       0.8730894 
1 1 1 10  22 7  f 19.25531  0.8595926     430.7455       50.26639  376.9857       43.40435      1.160596       1.719185  
1 1 1 10  22 8  o 13.42134  0.5901306     217.5664       22.18081  160.1283       22.06094      2.151222       1.180261  
1 1 1 10  22 9  o 7.546180  0.5073286     62.55062       10.93724  56.90438       10.45598      0.3610516      1.014657  
1 1 1 10  22 10 o 7.714311  0.5040823     72.04382       10.94021  53.27352       10.65576      1.221890       1.008165  
1 1 1 10  22 11 o 4.808968  0.6627530     32.38132       8.968158  19.46317       8.448151      1.324519       1.325506  
1 1 1 10  22 12 o 2.879017  0.7449829     14.73802       8.764011  2.467461       8.241936      1.129786       1.489966  
1 1 1 10  22 13 o 4.761449  0.6951613     37.08506       9.622368  17.96966       8.768028      1.897494       1.390323  
1 1 1 10  22 14 o 3.224950  0.8055562     15.22116       9.330306  13.52472       9.007267      0.1527079      1.611112  
1 1 1 10  22 15 o 2.200974  0.7056953     0.5003504      9.460555  3.008504       9.562246      -0.1347141     1.411391  
1 1 1 10  22 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  24 0  o 4.744945  0.4907383     23.20449       6.078809  24.07212       6.759061      -0.6847066E-01 0.9814767 
1 1 1 10  24 1  o 6.742084  0.4222054     51.77099       7.662427  40.96007       8.220911      0.8276665      0.8444108 
1 1 1 10  24 2  o 2.238052  0.6273302     3.854197       5.357564  2.010984       6.652482      0.1520745E-01  1.254660  
1 1 1 10  24 3  o 4.146659  0.5380582     14.70148       5.500391  22.28505       6.667601      -0.8823408     1.076116  
1 1 1 10  24 4  o 2.308580  0.6425358     3.980378       5.737774  3.157756       6.659050      -0.2758225E-01 1.285072  
1 1 1 10  24 5  o 2.689716  0.6454782     5.835668       6.054388  8.610743       5.784213      -0.3236463     1.290956  
1 1 1 10  24 6  o 6.263138  0.4782917     33.28393       8.043454  48.93039       8.444402      -1.257428      0.9565833 
1 1 1 10  24 7  o 2.750791  0.6710892     1.434068       6.960769  12.66568       6.932683      -1.167351      1.342178  
1 1 1 10  24 8  o 6.876168  0.6391221     65.88278       10.61866  37.06033       12.66117      2.299389       1.278244  
1 1 1 10  24 9  o 9.912730  0.5526842     118.0538       15.59115  96.06242       15.05769      1.087284       1.105368  
1 1 1 10  24 10 o 6.821013  0.6370373     59.36924       12.36195  47.51809       11.53626      0.8149862      1.274075  
1 1 1 10  24 11 o 2.741544  0.7532906     -4.827321      10.04730  17.07176       9.806817      -1.482385      1.506581  
1 1 1 10  24 12 o 5.329092  0.7370005     47.81927       11.31372  26.11623       10.20518      1.890692       1.474001  
1 1 1 10  24 13 o 3.120845  0.7708609     0.2409317      11.22075  24.83247       9.695505      -1.832931      1.541722  
1 1 1 10  24 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  26 0  o 3.497623  0.6921708     10.91143       6.688498  17.42786       7.701176      -0.7746737     1.384342  
1 1 1 10  26 1  o 8.040195  0.5841035     78.66531       10.48490  58.27224       15.79656      1.615888       1.168207  
1 1 1 10  26 2  o 1.990120  0.5946164     6.750796       7.112508  -10.06578      6.798833      1.150078       1.189233  
1 1 1 10  26 3  o 4.779387  0.5847603     26.51934       6.999994  23.38446       8.536113      0.4392395      1.169521  
1 1 1 10  26 4  o 2.039974  0.6245593     1.981712       6.323442  -1.589826      7.108251      0.1565395      1.249119  
1 1 1 10  26 5  f 3.560339  0.6902069     21.27287       7.499719  6.857521       8.379155      1.587072       1.380414  
1 1 1 10  26 6  o 3.344431  0.7451342     17.75413       8.348733  9.466275       7.804094      0.8989132      1.490268  
1 1 1 10  26 7  o 2.111827  0.6701226     -11.35779      9.522810  5.163024       8.735908      -0.7433517     1.340245  
1 1 1 10  26 8  o 2.833080  0.7174651     25.10404       11.09233  -14.67783      9.546129      2.559545       1.434930  
1 1 1 10  26 9  o 3.237470  0.8738039     21.02894       11.35002  8.441434       12.16360      0.9195975      1.747608  
1 1 1 10  26 10 o 3.952711  1.031567      45.39627       18.70421  21.10988       12.93637      1.117572       2.063135  
1 1 1 10  26 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  26 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  28 0  o 5.106143  1.304285      ?              ?         37.18894       13.36596      ?              ?         
1 1 1 10  28 1  o 2.325638  0.8206851     -21.60238      14.32628  -21.44375      35.63637      -1.003344      1.641370  
1 1 1 10  28 2  o 3.270079  0.9635233     21.64826       14.48273  5.351829       16.97707      0.8076470      1.927047  
1 1 1 10  28 3  o 7.192260  1.246560      89.55525       21.35055  138.0833       43.86322      1.618224       2.493121  
1 1 1 10  28 4  o 2.690490  0.8844783     -5.108395      15.12271  12.76141       18.20178      -0.7233765     1.768957  
1 1 1 10  28 5  o 3.603966  1.039783      7.081724       16.51996  49.55773       21.08668      -1.895689      2.079566  
1 1 1 10  28 6  o 2.490483  0.8490999     5.484126       16.76252  -16.16941      20.26393      0.3653785      1.698200  
1 1 1 10  28 7  o 2.679280  0.9137875     -6.651534      18.10054  26.39230       24.57489      -0.8475147     1.827575  
1 1 1 10  28 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  28 9  o 2.002092  0.7061011     -13.13218      14.13330  -10.41117      18.17301      -0.2238905     1.412202  
1 1 1 10  30 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  30 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  30 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 10  30 3  o 4.034220  1.132603      39.94951       16.73428  66.39623       22.63056      -0.4854337     2.265206  
1 1 1 10  30 4  f 3.214172  0.8401436     18.80317       10.21927  21.55778       10.07667      -0.2527525     1.680287  
1 1 1 11  1  0  o 8.506682  0.6267458     72.87272       10.58817  ?              ?             ?              ?         
1 1 1 11  1  1  o 21.57891  1.728473      488.8593       103.6397  476.8864       103.6251      0.2812228      3.456946  
1 1 1 11  1  2  f 25.09237  2.022618      628.2779       140.7896  688.9832       140.9082      -1.227291      4.045235  
1 1 1 11  1  3  o 32.49787  1.747396      1020.123       159.1286  1160.392       159.2645      -2.173776      3.494792  
1 1 1 11  1  4  o 39.11781  2.079743      1483.206       227.7551  1726.682       228.2473      -3.132567      4.159486  
1 1 1 11  1  5  o 11.67171  0.5973801     112.7914       19.34316  162.4024       19.42648      -2.145159      1.194760  
1 1 1 11  1  6  o 7.002503  0.3935558     39.54368       7.626010  59.42725       7.626838      -1.436564      0.7871116 
1 1 1 11  1  7  o 33.33276  1.884995      1098.956       175.7764  1297.203       175.8745      -2.999972      3.769990  
1 1 1 11  1  8  o 11.77556  0.6241157     112.8052       20.28665  169.3612       20.43675      -2.425062      1.248231  
1 1 1 11  1  9  o 13.44323  0.7281729     156.2898       27.20899  212.0793       27.35813      -2.094635      1.456346  
1 1 1 11  1  10 o 23.33010  1.002325      547.1914       80.47977  569.3131       56.99380      -0.7594947     2.004649  
1 1 1 11  1  11 o 5.760301  0.2716498     29.23230       4.362984  37.44568       4.401011      -0.7178566     0.5432996 
1 1 1 11  1  12 o 6.663585  0.2882839     42.33968       5.401299  46.85078       5.405152      -0.3400946     0.5765678 
1 1 1 11  1  13 o 17.84429  0.6912069     320.9906       34.75107  324.7887       34.75361      -0.1067296     1.382414  
1 1 1 11  1  14 o 8.857170  0.3718339     83.45414       9.285798  74.39417       9.242943      0.5135452      0.7436677 
1 1 1 11  1  15 o 21.41944  0.8324382     456.4550       50.19403  485.8852       50.24775      -0.6887820     1.664876  
1 1 1 11  1  16 o 7.730258  0.3614741     56.58163       7.831155  63.98897       7.869248      -0.4814965     0.7229483 
1 1 1 11  1  17 o 13.20636  0.5408588     175.7500       20.11306  180.6238       20.11666      -0.1851227     1.081718  
1 1 1 11  1  18 o 7.711438  0.3929980     59.88462       8.501046  61.30838       8.526567      -0.9236977E-01 0.7859959 
1 1 1 11  1  19 f 4.194456  0.5358914     15.40488       6.107221  21.67762       6.124960      -0.7649893     1.071783  
1 1 1 11  1  20 o 4.810316  0.5312112     35.12731       6.775727  14.98769       6.744452      2.150495       1.062422  
1 1 1 11  1  21 o 3.198451  0.6792285     14.36001       6.519949  9.200884       7.137611      0.6329291      1.358457  
1 1 1 11  1  22 o 3.352973  0.5886585     7.985241       5.856474  18.82466       5.910269      -1.424156      1.177317  
1 1 1 11  1  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  1  24 o 1.495944  0.5098686     -2.659911      6.454127  -6.433563      6.442443      0.1561741      1.019737  
1 1 1 11  3  0  o 38.57270  1.460106      1526.086       158.7172  1514.440       158.7150      0.1513927      2.920213  
1 1 1 11  3  1  o 15.32829  0.5729831     233.7504       24.75304  238.8271       24.75153      -0.1660872     1.145966  
1 1 1 11  3  2  o 13.11411  0.4904385     177.1654       18.12868  168.3980       18.11681      0.3352765      0.9808770 
1 1 1 11  3  3  o 50.31446  1.838691      2588.508       260.7382  2663.665       260.7747      -0.7487192     3.677383  
1 1 1 11  3  4  o 30.96795  1.083133      962.8886       94.54876  985.8210       94.59674      -0.3709524     2.166266  
1 1 1 11  3  5  o 30.70432  1.124534      925.9261       97.21401  996.3818       97.35680      -1.150167      2.249068  
1 1 1 11  3  6  o 23.24213  0.8826587     539.0280       57.79511  559.1018       57.81415      -0.4330539     1.765317  
1 1 1 11  3  7  o 21.13605  0.7873144     462.5099       46.90854  446.0599       46.88192      0.3901011      1.574629  
1 1 1 11  3  8  o 20.31675  0.7494161     416.8810       42.91884  423.7925       42.91054      -0.1706427     1.498832  
1 1 1 11  3  9  o 6.951784  0.2840165     48.26371       5.540090  48.94371       5.581372      -0.4877781E-01 0.5680329 
1 1 1 11  3  10 f 24.07369  1.000795      509.2436       56.80697  702.5538       80.75809      -3.749018      2.001590  
1 1 1 11  3  11 o 4.161927  0.3844537     12.77580       4.309318  22.36732       4.308657      -1.188323      0.7689074 
1 1 1 11  3  12 o 10.24919  0.5768008     92.89646       16.52909  119.3377       16.48463      -1.303894      1.153602  
1 1 1 11  3  13 o 23.00039  1.288542      506.6980       82.95493  596.1827       82.97752      -1.962534      2.577083  
1 1 1 11  3  14 o 22.76008  1.299760      492.1311       82.67097  596.8882       82.76163      -2.322767      2.599521  
1 1 1 11  3  15 o 16.40392  0.9402136     249.5474       43.07673  307.6719       43.13233      -1.788914      1.880427  
1 1 1 11  3  16 o 8.790700  0.5482297     67.99623       13.41067  89.32983       13.41864      -1.229039      1.096459  
1 1 1 11  3  17 o 18.11934  1.082390      311.6063       54.61817  397.1962       54.74300      -2.385986      2.164780  
1 1 1 11  3  18 o 9.474192  0.6320974     71.45727       16.37403  116.3798       16.35183      -2.412513      1.264195  
1 1 1 11  3  19 o 2.220101  0.6498101     -10.47606      8.078337  7.898380       7.789124      -1.170495      1.299620  
1 1 1 11  3  20 o 8.748356  0.5308048     81.90926       15.94958  81.74313       11.24969      -0.2226457     1.061610  
1 1 1 11  3  21 o 2.063792  0.5818355     8.192284       6.315253  -3.534111      5.453672      1.139231       1.163671  
1 1 1 11  3  22 o 2.465884  0.6224886     3.332783       5.690191  10.54400       5.882545      -0.8284026     1.244977  
1 1 1 11  3  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  3  24 o 2.873775  0.6920415     15.29080       6.721704  12.53992       6.850079      0.3320016      1.384083  
1 1 1 11  5  0  o 8.429141  0.3203925     71.63035       7.606645  71.03058       7.614191      0.3571609E-01  0.6407850 
1 1 1 11  5  1  f 13.29493  0.5304596     164.9668       18.49116  192.2405       21.40023      -1.015519      1.060919  
1 1 1 11  5  2  o 23.97553  0.9625741     585.6967       70.21379  580.3156       60.80913      0.6490926E-01  1.925148  
1 1 1 11  5  3  o 7.748631  0.2862707     63.32578       6.248793  57.06742       6.246308      0.4053222      0.5725414 
1 1 1 11  5  4  o 6.108245  0.2246970     38.22290       3.878026  36.63802       3.858149      0.1300027      0.4493939 
1 1 1 11  5  5  o 20.65748  0.7537044     423.0793       43.85278  440.7476       43.91116      -0.4285485     1.507409  
1 1 1 11  5  6  o 35.32498  1.350008      1266.255       134.3098  1335.897       134.3864      -0.9881481     2.700016  
1 1 1 11  5  7  o 19.15912  0.7342914     383.2769       39.65214  363.1811       39.61285      0.5258583      1.468583  
1 1 1 11  5  8  o 26.96052  0.9974746     749.6333       75.81795  749.9863       75.77934      -0.6999950E-02 1.994949  
1 1 1 11  5  9  o 2.318163  0.3291971     4.889092       2.039594  6.227514       2.125114      -0.2886411     0.6583942 
1 1 1 11  5  10 o 11.99978  0.4498600     136.2765       15.15814  153.6939       15.23963      -0.7280565     0.8997200 
1 1 1 11  5  11 o 29.52685  1.115911      871.9451       92.74775  925.8290       92.90628      -0.9138745     2.231822  
1 1 1 11  5  12 o 31.30798  1.198184      1007.226       105.6838  1022.011       105.7246      -0.2364009     2.396368  
1 1 1 11  5  13 o 1.449465  0.4302044     0.6275168      2.969570  -0.9596831E-01 3.001255      0.8103798E-01  0.8604087 
1 1 1 11  5  14 o 17.44036  0.6681485     303.7000       32.82405  314.7787       32.83967      -0.3184734     1.336297  
1 1 1 11  5  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  5  18 o 5.906363  0.4182938     35.65266       6.861061  36.10011       6.927116      -0.3664469E-01 0.8365877 
1 1 1 11  5  19 o 2.818043  0.6573978     6.841604       6.031662  9.734597       6.209804      -0.3667546     1.314796  
1 1 1 11  5  20 o 3.047062  0.7287605     15.73262       7.910430  2.594363       8.581765      1.236376       1.457521  
1 1 1 11  5  21 o 3.000449  0.7872047     15.35420       9.460268  5.706604       8.996755      0.8537213      1.574409  
1 1 1 11  5  22 o 3.367697  0.7785564     15.21750       7.689339  17.23563       9.690373      -0.7882845E-01 1.557113  
1 1 1 11  5  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  5  24 o 2.701372  0.7961615     14.27217       8.737945  20.83653       11.94684      -0.1659718     1.592323  
1 1 1 11  7  0  o 10.58047  0.4278018     115.2193       13.75387  110.5314       11.93172      0.2131728      0.8556035 
1 1 1 11  7  1  o 19.72805  0.7943459     386.1337       41.27222  403.8118       47.67603      -0.4140588     1.588692  
1 1 1 11  7  2  o 43.16665  1.643382      1980.244       199.8908  1906.401       199.8659      0.8577681      3.286765  
1 1 1 11  7  3  o 24.55920  0.8676136     642.7205       60.07378  580.4183       59.99213      1.272227       1.735227  
1 1 1 11  7  4  o 15.15812  0.5726059     243.2198       22.84621  217.7015       26.35836      0.8680507      1.145212  
1 1 1 11  7  5  o 4.586877  0.2053258     19.19041       2.621115  23.04417       2.667718      -0.4221380     0.4106517 
1 1 1 11  7  6  o 9.688134  0.3712873     93.46133       10.12306  95.49814       10.14817      -0.1052767     0.7425745 
1 1 1 11  7  7  o 20.03779  0.7504304     427.2527       42.39411  390.3253       42.31230      0.9240314      1.500861  
1 1 1 11  7  8  f 20.94815  0.7882835     458.4881       46.55624  437.1699       46.50032      0.5099063      1.576567  
1 1 1 11  7  9  o 4.031281  0.2527683     15.63478       2.821990  17.15698       2.878647      -0.1896947     0.5055366 
1 1 1 11  7  10 o 15.86704  0.5940778     242.2740       26.51824  266.3637       26.57967      -0.7614753     1.188156  
1 1 1 11  7  11 o 19.67120  0.7232480     370.3245       39.99910  413.8411       40.13622      -1.109240      1.446496  
1 1 1 11  7  12 o 17.84765  0.6802557     311.2939       34.16569  334.1877       34.23208      -0.6431122     1.360511  
1 1 1 11  7  13 o 24.03725  0.9216520     592.7581       62.43631  593.9283       62.41657      -0.2461789E-01 1.843304  
1 1 1 11  7  14 o 21.98862  0.8475131     493.3423       52.50271  501.2153       52.51504      -0.1794222     1.695026  
1 1 1 11  7  15 o 2.377706  0.4738150     -1.217376      3.998805  10.95509       4.186242      -1.715512      0.9476300 
1 1 1 11  7  16 o 15.15662  0.6094562     234.6746       25.99562  236.6644       26.04266      -0.6514345E-01 1.218912  
1 1 1 11  7  17 o 8.848472  0.8566237     109.2628       13.92906  53.82188       25.44308      3.590559       1.713247  
1 1 1 11  7  18 o 9.573225  0.4540815     87.75618       12.12793  100.8611       12.28574      -0.6847827     0.9081631 
1 1 1 11  7  19 o 2.481840  0.6300617     10.12122       6.140291  -0.1736408     6.306471      1.058155       1.260123  
1 1 1 11  7  20 o 4.814779  0.5579854     21.13392       7.141863  29.84539       7.446164      -0.9093980     1.115971  
1 1 1 11  7  21 o 4.251368  0.6058246     18.40803       7.870289  23.46976       6.579217      -0.7236093     1.211649  
1 1 1 11  7  22 o 2.432319  0.6530309     7.030478       6.058584  7.446870       6.333304      -0.4942184E-01 1.306062  
1 1 1 11  7  23 o 4.500040  0.6125619     30.34412       7.381273  24.01196       7.713322      0.7840933      1.225124  
1 1 1 11  7  24 f 2.430982  0.6704064     4.749002       7.211139  18.33135       7.603427      -1.115246      1.340813  
1 1 1 11  9  0  o 18.36627  0.7595544     368.3720       36.58337  311.8190       42.18891      1.594490       1.519109  
1 1 1 11  9  1  o 4.809735  0.2094352     23.63788       2.773219  22.80116       2.901073      0.8841486E-01  0.4188704 
1 1 1 11  9  2  o 11.63111  0.4288312     139.3013       14.05367  133.0364       14.05875      0.2701582      0.8576625 
1 1 1 11  9  3  o 6.623957  0.2611702     44.02031       4.873417  44.15291       4.874058      -0.1003699E-01 0.5223404 
1 1 1 11  9  4  o 4.292743  0.2039793     19.59224       2.455266  17.40147       2.464185      0.2568107      0.4079587 
1 1 1 11  9  5  o 1.504090  0.3229974     2.157366       1.482681  2.397939       1.508529      -0.6593358E-01 0.6459947 
1 1 1 11  9  6  o 9.836695  0.3729251     99.92632       10.32908  94.84663       10.34152      0.2591258      0.7458503 
1 1 1 11  9  7  o 17.41799  0.6378663     329.1846       31.32588  285.4589       31.22423      1.259441       1.275733  
1 1 1 11  9  8  o 3.330415  0.2727637     11.75530       2.562517  10.76530       2.479226      0.1490912      0.5455275 
1 1 1 11  9  9  o 35.19026  1.349574      1287.964       133.8285  1302.419       133.8168      -0.2061435     2.699148  
1 1 1 11  9  10 o 4.603324  0.2763531     17.45715       3.422376  25.37176       3.646120      -0.8667416     0.5527062 
1 1 1 11  9  11 o 30.50137  1.145367      916.4265       98.28740  1004.470       98.50046      -1.446339      2.290734  
1 1 1 11  9  12 o 25.06848  0.9356858     643.9339       66.07874  646.1776       66.13953      -0.4426468E-01 1.871372  
1 1 1 11  9  13 o 9.680157  0.4051216     94.88500       11.03342  94.20511       11.05139      0.3538495E-01  0.8102432 
1 1 1 11  9  14 o 15.94874  0.6308242     255.0437       28.32271  263.7063       28.35711      -0.2720896     1.261648  
1 1 1 11  9  15 o 14.13624  0.5768066     211.0902       22.95284  196.8791       22.95764      0.5046995      1.153613  
1 1 1 11  9  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  9  17 o 8.199757  0.4276707     64.18491       9.714092  73.47161       9.958612      -0.5650269     0.8553413 
1 1 1 11  9  18 o 5.523881  0.4721680     32.32864       7.078060  31.63429       7.385289      0.7568450E-01  0.9443359 
1 1 1 11  9  19 o 2.520226  0.6258302     -2.955235      6.313817  13.08123       6.935931      -1.606271      1.251660  
1 1 1 11  9  20 f 1.539180  0.5189026     -4.981615      6.641051  -7.895156      5.938711      0.2457756      1.037805  
1 1 1 11  9  21 o 3.109406  0.6615715     12.21268       6.114196  12.48669       6.484563      -0.1342233E-01 1.323143  
1 1 1 11  9  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  9  23 o 2.329648  0.6640287     4.067387       6.898496  13.30203       7.321373      -0.7720684     1.328057  
1 1 1 11  11 0  o 10.44963  0.4036386     122.3790       11.83137  97.46681       11.84946      1.198330       0.8072771 
1 1 1 11  11 1  o 26.02815  1.004035      736.0455       73.60136  660.2130       73.54240      1.462021       2.008071  
1 1 1 11  11 2  o 23.44837  0.8845417     587.9641       58.44542  538.5589       58.38983      1.056765       1.769083  
1 1 1 11  11 3  o 8.793621  0.3446963     85.12038       8.536171  70.34593       8.501664      0.8440033      0.6893926 
1 1 1 11  11 4  o 1.325481  0.3463685     1.638043       1.823025  1.137458       1.629362      0.1465461      0.6927370 
1 1 1 11  11 5  o 4.590669  0.2288076     21.52235       2.936121  20.88374       2.967360      0.7024448E-01  0.4576153 
1 1 1 11  11 6  o 16.60682  0.6158831     289.5845       28.81424  268.6467       28.81552      0.6325442      1.231766  
1 1 1 11  11 7  o 5.863446  0.2785692     35.12062       4.622562  34.08184       4.563341      0.8850329E-01  0.5571384 
1 1 1 11  11 8  f 13.99191  0.5298017     210.5562       20.90734  184.1270       20.82307      0.9478469      1.059603  
1 1 1 11  11 9  o 16.05820  0.6288523     262.9923       28.45371  258.8589       28.44598      0.1290526      1.257705  
1 1 1 11  11 10 o 16.42353  0.6288214     274.7463       29.08146  271.3470       29.12069      0.1040741      1.257643  
1 1 1 11  11 11 o 21.04984  0.8060779     440.4772       47.75783  463.6974       47.84581      -0.5525575     1.612156  
1 1 1 11  11 12 o 21.12235  0.7900972     448.9068       46.99984  464.2566       47.05972      -0.3638008     1.580194  
1 1 1 11  11 13 o 17.28713  0.6546295     309.3846       31.88584  300.4956       31.89208      0.2579451      1.309259  
1 1 1 11  11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  11 15 o 8.615977  0.4079364     72.63870       9.794586  78.15585       9.965868      -0.3193495     0.8158728 
1 1 1 11  11 16 o 7.753557  0.4116141     60.81123       8.883967  62.06278       9.039214      -0.7821374E-01 0.8232282 
1 1 1 11  11 17 f 5.168033  0.4864382     26.54606       6.779610  29.52524       7.081245      -0.2823648     0.9728763 
1 1 1 11  11 18 o 2.575313  0.6706408     4.018181       6.257795  8.564993       6.816708      -0.5290570     1.341282  
1 1 1 11  11 19 o 4.117191  0.6336080     13.41409       6.952210  25.51426       7.592419      -1.391429      1.267216  
1 1 1 11  11 20 o 3.228065  0.6923230     12.26293       7.012666  13.89753       6.774729      -0.2110991     1.384646  
1 1 1 11  11 21 o 5.897225  0.5074731     36.05068       8.077807  45.42421       8.418968      -0.7673652     1.014946  
1 1 1 11  11 22 o 1.822117  0.5942081     1.116455       6.906089  -1.093388      7.390404      0.7808921E-01  1.188416  
1 1 1 11  11 23 o 1.556822  0.5364572     -1.438761      7.397190  -7.874230      8.036258      0.1644440      1.072914  
1 1 1 11  13 0  o 5.013980  0.2484230     29.56146       3.708120  21.29572       3.274667      0.8250733      0.4968460 
1 1 1 11  13 1  o 7.532339  0.3033970     62.28395       6.319180  51.52298       6.523719      0.7199676      0.6067940 
1 1 1 11  13 2  o 17.27716  0.6293229     338.3572       30.57275  266.4958       30.47162      2.088573       1.258646  
1 1 1 11  13 3  o 15.11263  0.5739121     255.2989       24.40126  206.3203       24.32738      1.627825       1.147824  
1 1 1 11  13 4  o 15.35914  0.5685610     256.7464       24.59262  219.5407       24.55371      1.216095       1.137122  
1 1 1 11  13 5  o 14.85028  0.5610026     244.1819       23.42634  200.9115       23.40686      1.463679       1.122005  
1 1 1 11  13 6  o 12.18883  0.4634582     152.4732       15.91320  146.9014       15.92083      0.2293179      0.9269163 
1 1 1 11  13 7  o 13.85503  0.5202199     211.2034       20.31808  175.6858       20.21616      1.286958       1.040440  
1 1 1 11  13 8  o 15.63884  0.6030388     263.3357       26.57860  230.6667       26.50488      1.048480       1.206078  
1 1 1 11  13 9  o 23.40763  0.9065834     569.1947       59.80123  552.5026       59.77384      0.3574258      1.813167  
1 1 1 11  13 10 o 5.504325  0.3174796     31.31843       4.812971  29.77375       4.988739      0.1433405      0.6349592 
1 1 1 11  13 11 o 20.76541  0.8009722     446.9560       46.84736  437.3839       46.87960      0.2315636      1.601944  
1 1 1 11  13 12 o 10.79333  0.4459953     114.4454       13.51434  121.2300       13.59005      -0.3147708     0.8919907 
1 1 1 11  13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  13 14 f 7.430758  0.3935376     64.73914       8.083903  47.22066       8.206370      1.192888       0.7870752 
1 1 1 11  13 15 o 7.205019  0.4293819     56.24495       8.481588  49.64978       8.845034      0.4699161      0.8587638 
1 1 1 11  13 16 o 8.007242  0.4397520     72.27606       9.778515  59.53688       9.929470      0.8071565      0.8795040 
1 1 1 11  13 17 o 6.618469  0.4731721     45.80458       8.582906  46.44395       8.897798      -0.3603113E-01 0.9463441 
1 1 1 11  13 18 o 2.573217  0.6979642     6.726883       6.855107  5.454141       7.446817      0.7945094E-01  1.395928  
1 1 1 11  13 19 f 3.815547  0.6438320     24.99571       7.453371  10.01174       6.975063      1.747935       1.287664  
1 1 1 11  13 20 o 4.508443  0.6238516     13.60968       8.265203  37.44201       7.774033      -2.593035      1.247703  
1 1 1 11  13 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  13 22 o 2.078845  0.6537114     5.315890       7.273146  6.241195       8.215703      -0.7410970E-01 1.307423  
1 1 1 11  15 0  o 3.191307  0.2840145     9.261044       2.702919  11.13948       2.335514      -0.3114775     0.5680290 
1 1 1 11  15 1  o 7.995602  0.3320954     73.50401       7.365378  55.04020       7.487589      1.162970       0.6641907 
1 1 1 11  15 2  o 7.005769  0.2968283     61.09720       5.795856  38.34973       5.710086      1.633855       0.5936567 
1 1 1 11  15 3  o 13.69774  0.5350534     209.8246       20.60602  168.5959       20.55380      1.512401       1.070107  
1 1 1 11  15 4  o 19.92863  0.7373214     443.7224       41.33574  361.6307       41.25210      2.068564       1.474643  
1 1 1 11  15 5  o 14.72842  0.5953302     233.8051       26.61818  206.8182       23.02934      0.8934105      1.190660  
1 1 1 11  15 6  o 16.74224  0.6479786     315.4295       30.48263  251.9199       30.43177      1.906087       1.295957  
1 1 1 11  15 7  o 21.22326  0.8012898     495.3916       47.89545  421.6098       47.78634      1.745039       1.602580  
1 1 1 11  15 8  o 10.64961  0.4329772     119.7071       12.99806  108.8594       12.95822      0.5111520      0.8659543 
1 1 1 11  15 9  o 4.397972  0.3534004     18.38138       4.251968  20.90953       4.372138      -0.2896677     0.7068008 
1 1 1 11  15 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  15 11 o 2.248779  0.5631882     6.173445       4.403353  1.962018       4.916709      0.4823967      1.126376  
1 1 1 11  15 12 o 8.021016  0.3919872     61.41388       8.768394  68.88459       8.890543      -0.4669175     0.7839743 
1 1 1 11  15 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  15 14 o 11.23712  0.5073932     126.5835       15.95260  133.4512       16.12493      -0.3032938     1.014786  
1 1 1 11  15 15 o 10.73514  0.5108398     117.8141       15.23615  122.2012       15.60781      -0.1945653     1.021680  
1 1 1 11  15 16 o 2.661571  0.7023065     7.943559       6.807012  4.644150       7.595291      0.2659098      1.404613  
1 1 1 11  15 17 o 3.082072  0.7058715     15.05116       7.239077  5.481074       7.745913      1.020928       1.411743  
1 1 1 11  15 18 o 7.192803  0.5001538     49.93465       10.20466  63.64985       9.769279      -1.004128      1.000308  
1 1 1 11  15 19 o 1.886034  0.6144406     0.8780184      7.881741  -4.759147      7.479197      0.3373688      1.228881  
1 1 1 11  15 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  15 21 o 2.567925  0.6936600     18.77065       7.891053  2.645505       8.568382      1.284435       1.387320  
1 1 1 11  15 22 o 1.591322  0.5521957     -9.715262      8.143166  4.115680       9.315588      -0.4743779     1.104391  
1 1 1 11  17 0  o 15.49618  0.6178933     273.1679       28.95856  215.2211       25.05495      1.846981       1.235787  
1 1 1 11  17 1  o 6.302038  0.2927517     45.46499       5.106560  34.31497       5.207679      0.8925678      0.5855035 
1 1 1 11  17 2  o 24.37470  0.9929742     723.2667       62.09295  496.7382       71.37453      4.776609       1.985948  
1 1 1 11  17 3  o 15.73919  0.5975929     279.5466       26.43801  221.5243       26.36710      1.851946       1.195186  
1 1 1 11  17 4  o 4.190231  0.3194652     19.34240       3.761562  16.17868       3.671165      0.3817257      0.6389305 
1 1 1 11  17 5  o 20.62768  0.7572181     455.3781       43.99661  411.0450       43.99276      1.078517       1.514436  
1 1 1 11  17 6  o 24.91799  0.9699870     687.0193       68.03079  593.7083       67.96458      1.880156       1.939974  
1 1 1 11  17 7  o 16.11094  0.6074107     289.1945       27.55056  237.6474       27.45986      1.606429       1.214821  
1 1 1 11  17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  17 9  o 13.15951  0.5327388     192.2777       19.71029  159.2716       19.68507      1.260454       1.065478  
1 1 1 11  17 10 o 8.890060  0.4136076     90.74358       10.28596  69.28758       10.28741      1.215902       0.8272153 
1 1 1 11  17 11 o 6.743900  0.4072734     44.31199       7.685125  48.22399       7.692903      -0.2923876     0.8145469 
1 1 1 11  17 12 f 4.188896  0.5645319     20.73812       6.396092  16.01603       6.502672      0.5764983      1.129064  
1 1 1 11  17 13 f 16.00368  0.6790631     281.2306       30.56938  259.6227       30.58944      0.6786887      1.358126  
1 1 1 11  17 14 o 17.00935  0.7351121     324.8644       35.14433  304.6274       35.22099      0.6008093      1.470224  
1 1 1 11  17 15 o 5.546523  0.5578405     38.63597       8.266473  26.99542       8.592632      1.102677       1.115681  
1 1 1 11  17 16 o 3.473432  0.7525185     10.06947       7.851893  19.09976       8.727433      -0.9764297     1.505037  
1 1 1 11  17 17 o 2.022407  0.6417642     5.176741       7.990366  -13.47724      9.324441      0.7704476      1.283528  
1 1 1 11  17 18 o 2.152472  0.6612644     -4.560683      8.166088  7.993621       8.059689      -0.7696005     1.322529  
1 1 1 11  17 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  17 20 o 1.660715  0.5677402     2.360041       8.362814  -14.47311      8.929216      0.5059032      1.135480  
1 1 1 11  17 21 f 1.787435  0.6095106     0.9239165      8.742923  1.746128       9.704950      -0.6035222E-01 1.219021  
1 1 1 11  19 0  o 7.481913  0.3565654     60.76564       7.937953  52.53703       7.096355      0.5444583      0.7131308 
1 1 1 11  19 1  o 10.24779  0.4280462     121.3821       12.25063  90.67712       12.29009      1.508005       0.8560925 
1 1 1 11  19 2  o 3.786567  0.4097858     11.46514       3.732095  18.42339       4.769928      -0.9130112     0.8195716 
1 1 1 11  19 3  o 6.607827  0.3373117     49.09565       6.182429  38.74490       6.290509      0.7914219      0.6746233 
1 1 1 11  19 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  19 5  o 19.79809  0.8252208     443.4704       49.50019  369.4200       42.79606      1.780918       1.650442  
1 1 1 11  19 6  o 18.45149  0.7053983     374.2451       36.62461  323.4120       36.62095      1.383570       1.410797  
1 1 1 11  19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  19 8  o 10.29329  0.4484145     115.8059       12.96953  99.06195       12.96989      0.8179736      0.8968291 
1 1 1 11  19 9  o 2.571113  0.6236054     8.966290       5.771812  3.198818       5.555397      0.7230216      1.247211  
1 1 1 11  19 10 o 7.907755  0.4428146     79.22788       9.762394  49.28949       9.531220      1.910519       0.8856292 
1 1 1 11  19 11 o 7.289990  0.4432668     59.09760       9.102610  50.00385       8.959983      0.6265614      0.8865336 
1 1 1 11  19 12 o 2.813628  0.6508187     14.27231       6.924548  -0.9274228E-02 6.736933      1.526442       1.301637  
1 1 1 11  19 13 f 7.602670  0.4806650     60.20514       10.15514  61.30937       10.29995      -0.6766712E-01 0.9613299 
1 1 1 11  19 14 o 4.313050  0.6610919     26.18638       7.764710  15.21222       8.322393      1.267355       1.322184  
1 1 1 11  19 15 o 6.475204  0.5856402     57.16778       9.876546  35.99531       10.58156      1.745633       1.171280  
1 1 1 11  19 16 o 2.348041  0.7287953     1.697428       8.555207  3.714336       10.15304      -0.2434176     1.457591  
1 1 1 11  19 17 o 1.716290  0.5896469     -8.622869      9.106918  -10.23389      8.970023      0.6611669E-01  1.179294  
1 1 1 11  19 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  19 19 o 3.489153  0.7969441     15.17762       9.235477  33.51602       10.14078      -1.564445      1.593888  
1 1 1 11  21 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  21 2  o 12.75437  0.6038028     193.0833       25.69769  145.0432       18.34679      1.776774       1.207606  
1 1 1 11  21 3  o 9.817145  0.4764308     126.8381       12.56438  71.43960       12.87369      2.852656       0.9528616 
1 1 1 11  21 4  o 9.816321  0.4613992     108.8541       13.66434  88.09246       11.86265      1.037105       0.9227984 
1 1 1 11  21 5  o 4.906553  0.4102975     22.99504       5.410795  26.37352       5.750597      -0.3419865     0.8205951 
1 1 1 11  21 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  21 7  o 6.409581  0.6882138     54.13824       14.65411  35.67115       10.11627      1.309915       1.376428  
1 1 1 11  21 8  o 4.672411  0.5324812     23.98018       6.751988  21.85433       6.836000      0.2360415      1.064962  
1 1 1 11  21 9  o 5.856965  0.5188702     42.88970       8.455875  28.55398       8.140390      1.244855       1.037740  
1 1 1 11  21 10 f 5.793518  0.5718414     22.99406       8.588848  48.92549       8.916162      -2.294753      1.143683  
1 1 1 11  21 11 o 4.659394  0.6457176     26.48816       8.419500  21.59096       7.978906      0.5069730      1.291435  
1 1 1 11  21 12 o 3.590160  0.6577577     26.71185       8.336362  0.6133687      8.125921      2.636477       1.315515  
1 1 1 11  21 13 o 2.471355  0.7065644     -2.269358      8.424867  9.778458       8.142079      -0.8830035     1.413129  
1 1 1 11  21 14 o 4.106992  0.7681249     17.67501       8.945615  25.71648       9.362082      -0.8373576     1.536250  
1 1 1 11  21 15 o 2.460060  0.7429946     -0.3697697     8.901107  11.66857       10.35010      -0.8357339     1.485989  
1 1 1 11  21 16 o 2.711271  0.9242020     18.81197       22.91238  -1.233725      19.51822      0.5022849      1.848404  
1 1 1 11  21 17 o 2.448020  0.7675956     9.025237       10.53058  9.333479       10.60904      -0.1676841E-01 1.535191  
1 1 1 11  23 0  o 5.142408  0.4488465     34.51411       5.900620  19.54351       6.462772      1.518103       0.8976929 
1 1 1 11  23 1  o 2.527765  0.6185326     2.588030       5.356594  9.283801       5.912672      -0.8587680     1.237065  
1 1 1 11  23 2  o 3.824415  0.5540852     24.70788       6.177032  6.269086       6.090962      2.271088       1.108170  
1 1 1 11  23 3  o 4.252760  0.6548022     22.89450       8.584099  16.77702       6.873870      0.6564454      1.309604  
1 1 1 11  23 4  o 3.387136  0.6175097     17.64934       6.011517  4.069435       7.609169      1.542592       1.235019  
1 1 1 11  23 5  o 4.548027  0.5365923     20.68008       6.542302  23.11972       6.768002      -0.2654438     1.073185  
1 1 1 11  23 6  o 5.124458  0.5196569     28.93086       7.466269  26.51632       7.164681      0.2286465      1.039314  
1 1 1 11  23 7  o 9.192013  0.4782096     88.22250       12.28328  87.73230       12.40932      0.3071729E-01  0.9564193 
1 1 1 11  23 8  o 14.28710  0.6347067     253.2121       25.30003  186.6866       25.31435      2.345698       1.269413  
1 1 1 11  23 9  o 2.690208  0.7448664     6.155004       8.579082  6.011102       7.921503      0.6456864E-01  1.489733  
1 1 1 11  23 10 o 5.145988  0.7099198     36.76651       10.63263  24.85032       9.283164      1.066594       1.419840  
1 1 1 11  23 11 o 11.74499  0.6153756     164.4205       20.34891  147.3013       20.19882      0.7223758      1.230751  
1 1 1 11  23 12 o 1.701481  0.5893025     -13.20087      9.903148  -14.58655      9.203805      0.1212121      1.178605  
1 1 1 11  23 13 o 1.939381  0.6519739     -1.880886      10.17528  -10.10983      9.536760      0.3705912      1.303948  
1 1 1 11  23 14 o 2.876058  0.8140796     15.58263       10.80153  10.07316       9.430483      0.3909690      1.628159  
1 1 1 11  23 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  25 0  o 4.201017  0.6059754     21.52364       6.629936  16.29731       7.508384      0.6618408      1.211951  
1 1 1 11  25 1  o 2.778365  0.5927881     15.75634       6.200716  -7.340967      7.678426      2.012026       1.185576  
1 1 1 11  25 2  o 6.921154  0.5861294     64.05286       11.46424  38.86523       10.60994      1.823223       1.172259  
1 1 1 11  25 3  o 2.454112  0.6760868     6.535851       6.541349  2.210407       7.259880      0.3337522      1.352174  
1 1 1 11  25 4  o 11.76005  0.6426337     172.4436       18.93755  126.2448       22.85038      2.193641       1.285267  
1 1 1 11  25 5  o 5.144236  0.5645078     29.83541       7.801592  27.81206       8.095254      0.2192858      1.129016  
1 1 1 11  25 6  o 5.927284  0.5315049     40.61651       8.850844  35.54591       8.543761      0.4175521      1.063010  
1 1 1 11  25 7  o 5.796211  0.6546084     47.10249       11.49254  30.48276       9.248485      1.285395       1.309217  
1 1 1 11  25 8  o 7.586337  0.5668734     75.68299       12.00373  52.42424       11.66105      1.536416       1.133747  
1 1 1 11  25 9  o 8.138155  0.6084577     78.42411       13.70771  74.81245       13.87066      0.2401390      1.216915  
1 1 1 11  25 10 o 4.331552  0.8531291     31.62297       11.16681  21.31978       10.87785      0.9793625      1.706258  
1 1 1 11  25 11 o 3.536152  0.8392192     -2.041981      15.95921  31.52192       11.18814      -2.159031      1.678438  
1 1 1 11  25 12 o 2.375287  0.8436770     -27.37868      35.19544  -11.70634      18.80561      0.2580412      1.687354  
1 1 1 11  25 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  27 0  o 3.481041  0.7926466     8.885216       8.609888  21.86645       9.932679      -1.275189      1.585293  
1 1 1 11  27 1  o 5.835456  0.6505309     48.57552       10.01177  29.13511       10.49255      1.766074       1.301062  
1 1 1 11  27 2  o 2.544116  0.7235040     7.527679       7.957398  3.652334       8.139893      0.3065092      1.447008  
1 1 1 11  27 3  o 3.023530  0.7444279     11.87392       7.322241  9.703539       8.546735      0.2116138      1.488856  
1 1 1 11  27 4  o 2.191645  0.6703480     0.1194465      6.739267  4.563376       8.874227      -0.5154601     1.340696  
1 1 1 11  27 5  o 2.374157  0.7579732     9.254169       14.32606  -4.592155      9.120727      1.024493       1.515946  
1 1 1 11  27 6  o 2.662527  0.8814614     -0.8203418     14.61121  1.880759       18.93974      -0.2881945     1.762923  
1 1 1 11  27 7  o 2.860618  0.9343345     11.81085       16.40299  -0.5341356     20.08402      0.2994354      1.868669  
1 1 1 11  27 8  o 2.288138  0.8003757     -23.03018      17.91494  -3.807333      20.32876      -0.4641164     1.600751  
1 1 1 11  27 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  27 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 11  29 7  o 1.994736  0.6875095     1.639768       13.38818  -7.851562      11.74326      0.3306877      1.375019  
1 1 1 12  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  0  5  o 21.07393  2.493707      471.5451       101.2384  471.5451       101.2384      ?              ?         
1 1 1 12  0  6  f 9.834167  0.5219874     97.64379       10.20015  97.64379       10.20015      ?              ?         
1 1 1 12  0  7  o 2.595695  0.3360630     7.073045       1.664165  7.073045       1.664165      ?              ?         
1 1 1 12  0  8  o 3.386644  0.3275864     11.79623       2.168014  11.79623       2.168014      ?              ?         
1 1 1 12  0  9  o 2.257410  0.5007590     5.793764       1.976313  5.793764       1.976313      ?              ?         
1 1 1 12  0  10 o 9.877849  0.5541888     98.69382       10.86898  98.69382       10.86898      ?              ?         
1 1 1 12  0  11 o 1.379660  0.7051578     2.795438       2.456791  2.795438       2.456791      ?              ?         
1 1 1 12  0  12 o 26.74424  1.470062      730.2803       78.08447  730.2803       78.08447      ?              ?         
1 1 1 12  0  13 o 12.83573  0.7130390     166.7736       18.17465  166.7736       18.17465      ?              ?         
1 1 1 12  0  14 o 25.12170  1.400923      645.8794       69.88293  645.8794       69.88293      ?              ?         
1 1 1 12  0  15 o 22.55574  1.849353      534.7643       82.09319  534.7643       82.09319      ?              ?         
1 1 1 12  0  16 o 2.008242  0.9153169     5.909175       3.988678  5.909175       3.988678      ?              ?         
1 1 1 12  0  17 o 19.84888  1.084331      405.1730       42.74989  405.1730       42.74989      ?              ?         
1 1 1 12  0  18 o 3.516942  0.8914244     14.69037       5.421259  14.69037       5.421259      ?              ?         
1 1 1 12  0  19 o 5.889934  0.6060215     36.22987       6.950814  36.22987       6.950814      ?              ?         
1 1 1 12  0  20 o 5.140135  0.7106580     28.56675       6.908120  28.56675       6.908120      ?              ?         
1 1 1 12  0  21 o 4.800669  0.8085268     26.00457       7.101809  26.00457       7.101809      ?              ?         
1 1 1 12  0  22 o 2.489400  1.193908      10.64162       6.848492  10.64162       6.848492      ?              ?         
1 1 1 12  0  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  0  24 o 1.277573  0.8609529     -0.5432224E-01 6.338103  -0.5432224E-01 6.338103      ?              ?         
1 1 1 12  2  0  f 16.39319  0.6171337     270.3671       28.51203  270.5407       28.51090      -0.5316790E-02 1.234267  
1 1 1 12  2  1  o 18.42996  0.6954073     342.9153       36.12056  341.4632       36.11688      0.3949574E-01  1.390815  
1 1 1 12  2  2  o 40.45551  1.558487      1614.731       177.5136  1744.749       177.6278      -1.612097      3.116975  
1 1 1 12  2  3  o 27.57936  0.8507769     823.7781       66.15737  711.0286       66.06406      2.049957       1.701554  
1 1 1 12  2  4  o 21.19353  1.652467      459.3969       69.48979  ?              ?             ?              ?         
1 1 1 12  2  5  o 35.51171  1.545352      1166.459       130.4563  1494.743       185.0265      -4.116810      3.090703  
1 1 1 12  2  6  o 18.54921  1.000163      296.7165       51.61064  407.1960       51.73545      -3.007629      2.000326  
1 1 1 12  2  7  o 15.75338  0.8460770     232.4382       37.34071  273.9237       37.34199      -1.327690      1.692154  
1 1 1 12  2  8  o 5.047026  0.3220012     23.50913       4.555408  27.80018       4.518878      -0.4305145     0.6440025 
1 1 1 12  2  9  o 8.901406  0.4978864     64.98390       12.23141  95.64198       12.34492      -1.740590      0.9957728 
1 1 1 12  2  10 o 11.82872  0.6386868     118.7321       20.94846  165.4527       21.11139      -1.993695      1.277374  
1 1 1 12  2  11 o 18.86120  1.037931      327.1844       54.67412  404.3540       54.83073      -2.063368      2.075861  
1 1 1 12  2  12 o 24.85923  1.397719      600.6195       97.23805  693.2559       97.36559      -1.877740      2.795438  
1 1 1 12  2  13 o 7.402730  0.4567046     55.17435       9.612321  55.78616       9.327385      -0.4452907E-01 0.9134092 
1 1 1 12  2  14 o 13.75149  0.7751139     178.3958       29.88305  207.7654       29.80610      -1.078262      1.550228  
1 1 1 12  2  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  2  16 o 5.252863  0.3556656     24.60398       5.195532  31.16219       5.198403      -0.6331328     0.7113311 
1 1 1 12  2  17 o 16.17990  0.6551004     263.1918       29.81449  277.2164       29.87955      -0.4338248     1.310201  
1 1 1 12  2  18 o 5.476709  0.4182287     24.52525       6.222649  36.92937       6.353984      -1.152512      0.8364574 
1 1 1 12  2  19 o 4.649907  0.4921020     17.61882       6.197604  27.49532       6.207029      -1.097211      0.9842040 
1 1 1 12  2  20 o 1.865947  0.5778493     -4.156054      6.061722  2.245401       5.998639      -0.4554963     1.155699  
1 1 1 12  2  21 o 3.149143  0.6770391     12.64190       6.519204  10.99936       6.645322      0.2085160      1.354078  
1 1 1 12  2  22 o 2.526697  0.6461845     13.86001       6.911406  -0.7901121     6.930487      1.364646       1.292369  
1 1 1 12  2  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  2  24 o 1.950456  0.5937567     8.942540       6.397614  -0.9974711     6.477798      0.7094716      1.187513  
1 1 1 12  4  0  o 22.65936  0.8549851     498.5457       54.55241  538.3494       54.59284      -0.8812042     1.709970  
1 1 1 12  4  1  o 30.17616  1.123504      878.3464       95.45105  970.5229       95.52000      -1.532624      2.247008  
1 1 1 12  4  2  o 14.58642  0.5498303     206.8634       22.58246  221.0554       22.60565      -0.4880190     1.099661  
1 1 1 12  4  3  o 19.00573  0.6779365     368.4026       36.32838  359.9241       36.31913      0.2236022      1.355873  
1 1 1 12  4  4  o 5.907549  0.2425068     35.87012       4.030133  34.19147       4.037491      0.1426545      0.4850136 
1 1 1 12  4  5  o 16.37984  0.6002860     263.0821       27.69012  278.0850       27.72708      -0.4591749     1.200572  
1 1 1 12  4  6  o 3.918289  0.1918549     13.93469       2.078077  16.90982       2.138284      -0.3815626     0.3837098 
1 1 1 12  4  7  o 15.72812  0.5911881     252.6013       26.20725  248.1428       26.20112      0.1421064      1.182376  
1 1 1 12  4  8  o 13.20243  0.4921205     177.6454       18.32877  174.3636       18.29383      0.1243944      0.9842410 
1 1 1 12  4  9  o 10.16791  0.3849325     101.0768       11.02015  107.0623       11.03361      -0.2952116     0.7698650 
1 1 1 12  4  10 o 3.606828  0.2626369     13.06001       2.620957  13.28132       2.661506      -0.3031922E-01 0.5252738 
1 1 1 12  4  11 o 16.97183  0.6440229     276.4703       30.74526  306.1327       30.81288      -0.8767561     1.288046  
1 1 1 12  4  12 o 25.42830  0.9600205     644.2772       68.72767  678.8298       68.83155      -0.6806863     1.920041  
1 1 1 12  4  13 o 4.937541  0.2975059     25.90112       4.096394  23.21256       4.125690      0.2751000      0.5950118 
1 1 1 12  4  14 o 13.45083  0.5342517     183.3051       20.23764  182.9384       20.24979      0.1377196E-01  1.068503  
1 1 1 12  4  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  4  18 o 4.212783  0.6453212     12.35372       7.753895  25.08427       7.593510      -1.466293      1.290642  
1 1 1 12  4  19 o 3.103863  0.7510228     13.51252       8.453755  6.711385       7.741799      0.7381521      1.502046  
1 1 1 12  4  20 o 3.856178  0.7595095     24.13484       9.250381  10.66134       8.715043      1.424205       1.519019  
1 1 1 12  4  21 o 2.565336  0.7428102     0.5842158      9.278750  9.386279       8.597377      -0.5924729     1.485620  
1 1 1 12  4  22 o 2.833927  0.7817518     2.898688       10.07559  17.04300       9.615738      -1.041587      1.563504  
1 1 1 12  4  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  4  24 o 2.449248  0.7488254     12.02326       8.395983  13.10956       11.20033      0.5139684E-01  1.497651  
1 1 1 12  6  0  o 23.16860  0.8681919     537.4297       56.67807  549.7488       56.69637      -0.2665394     1.736384  
1 1 1 12  6  1  o 10.60907  0.3960897     110.9249       11.83053  115.2339       11.85300      -0.2035893     0.7921795 
1 1 1 12  6  2  f 26.24484  1.054022      656.6545       83.93257  738.1249       72.76690      -1.637116      2.108045  
1 1 1 12  6  3  o 2.425037  0.2073947     5.060399       1.423547  6.732473       1.347307      -0.3559254     0.4147893 
1 1 1 12  6  4  o 20.49873  0.7502313     457.1837       43.33219  393.3115       43.23574      1.563766       1.500463  
1 1 1 12  6  5  o 3.616038  0.1952988     14.05964       1.998611  12.23099       1.960469      0.2542505      0.3905976 
1 1 1 12  6  6  o 16.24431  0.6146094     253.4884       28.08675  280.4792       28.14345      -0.8335181     1.229219  
1 1 1 12  6  7  o 29.81740  1.150794      943.8307       96.68978  906.9287       96.65175      0.6203204      2.301588  
1 1 1 12  6  8  o 7.393731  0.2964159     55.26985       6.209371  54.70124       6.137997      0.3808011E-01  0.5928319 
1 1 1 12  6  9  o 10.39948  0.3914455     109.9057       11.48386  107.8852       11.46053      0.9728079E-01  0.7828911 
1 1 1 12  6  10 o 26.97502  1.010968      724.1327       76.79225  769.9214       76.87444      -0.8507198     2.021937  
1 1 1 12  6  11 o 24.09176  0.9107558     559.0591       61.71975  625.1248       61.84021      -1.375526      1.821512  
1 1 1 12  6  12 o 10.14717  0.3980683     101.7780       11.33154  105.5342       11.42621      -0.1851064     0.7961366 
1 1 1 12  6  13 o 12.39818  0.4871807     153.5154       16.99898  156.8738       17.03340      -0.1356304     0.9743614 
1 1 1 12  6  14 o 2.902289  0.4495495     5.699595       3.584707  11.61910       3.734080      -0.9886844     0.8990990 
1 1 1 12  6  15 o 11.26592  0.4538732     122.1671       14.36888  134.5810       14.41629      -0.5527744     0.9077464 
1 1 1 12  6  16 o 9.377397  0.4175078     91.60468       11.00877  86.70163       11.02002      0.2627308      0.8350156 
1 1 1 12  6  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  6  18 o 9.822979  0.4499309     95.69004       12.36650  102.8417       12.48946      -0.3628953     0.8998618 
1 1 1 12  6  19 o 7.610206  0.4202700     55.83431       8.863003  64.32821       9.059119      -0.5558578     0.8405399 
1 1 1 12  6  20 o 2.160826  0.6344417     3.790591       6.371723  0.9444994      6.475073      0.2311039      1.268883  
1 1 1 12  6  21 o 5.315875  0.5409982     36.02042       7.750793  27.53586       7.958985      0.8428930      1.081996  
1 1 1 12  6  22 o 2.021019  0.6165636     1.080329       6.967849  3.516558       6.024408      -0.9893161E-01 1.233127  
1 1 1 12  6  23 o 2.278245  0.6326768     11.62860       6.430218  1.427796       6.689939      0.9004207      1.265354  
1 1 1 12  6  24 o 1.440567  0.4995472     -4.294143      6.746237  -7.805682      7.179308      0.7471637E-01  0.9990945 
1 1 1 12  8  0  o 22.68677  0.8481971     530.8772       54.22503  515.5729       54.23315      0.3383493      1.696394  
1 1 1 12  8  1  o 22.58565  0.9226170     493.5439       54.74812  551.8982       63.29215      -1.226944      1.845234  
1 1 1 12  8  2  o 18.70184  0.7038280     351.5218       37.08543  357.3133       37.10488      -0.1551584     1.407656  
1 1 1 12  8  3  o 13.67576  0.5084707     180.7752       19.57996  196.2211       19.59796      -0.5665699     1.016941  
1 1 1 12  8  4  o 5.190294  0.2123228     29.84931       3.103750  24.20487       3.085212      0.5465823      0.4246456 
1 1 1 12  8  5  f 23.26472  0.8480994     553.2084       55.59340  554.0043       55.64400      -0.1666672E-01 1.696199  
1 1 1 12  8  6  o 21.25311  0.7951909     457.2395       47.60037  465.2506       47.65892      -0.1884549     1.590382  
1 1 1 12  8  7  o 18.63120  0.7032734     361.2286       36.92916  344.6953       36.90836      0.4449220      1.406547  
1 1 1 12  8  8  o 4.971665  0.2424744     25.48805       3.443683  24.27548       3.334916      0.1215114      0.4849488 
1 1 1 12  8  9  o 22.93846  0.8656036     552.1218       55.97574  521.7049       55.90641      0.6645747      1.731207  
1 1 1 12  8  10 o 22.74640  0.8530937     511.1860       54.64806  542.8401       54.69579      -0.6976926     1.706187  
1 1 1 12  8  11 o 27.72671  1.045098      749.4893       81.51361  829.0045       81.69054      -1.437677      2.090195  
1 1 1 12  8  12 o 21.28203  0.8134796     448.6941       48.72043  475.0419       48.82203      -0.6201776     1.626959  
1 1 1 12  8  13 o 15.89263  0.6109059     250.5918       27.31914  261.9706       27.38637      -0.3585586     1.221812  
1 1 1 12  8  14 o 12.04895  1.026783      ?              ?         149.3100       24.50775      ?              ?         
1 1 1 12  8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  8  16 o 6.352537  0.3816821     37.55850       6.725051  44.37171       6.832102      -0.5396884     0.7633642 
1 1 1 12  8  17 o 5.701355  0.4204445     41.18698       6.487149  25.44726       6.583196      1.412431       0.8408890 
1 1 1 12  8  18 o 4.214080  0.5471974     18.28854       6.107471  19.90160       6.463448      -0.1784371     1.094395  
1 1 1 12  8  19 f 5.169345  0.5054209     22.82081       6.934926  34.14488       7.282792      -1.108384      1.010842  
1 1 1 12  8  20 o 2.545111  0.6735646     4.898268       6.336213  8.426312       6.857738      -0.3994434     1.347129  
1 1 1 12  8  21 o 2.052910  0.6362978     -1.676035      6.954858  4.338574       7.494370      -0.4598907     1.272596  
1 1 1 12  8  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  8  23 o 1.720385  0.5664065     0.6790895      6.603163  -1.570369      6.847583      0.9653122E-01  1.132813  
1 1 1 12  10 0  o 8.451419  0.3181586     78.10497       7.547111  65.33374       7.575926      0.7592847      0.6363173 
1 1 1 12  10 1  o 25.89511  0.9910028     697.5117       72.31613  683.8157       72.30393      0.2651206      1.982006  
1 1 1 12  10 2  o 37.94147  1.514566      1499.232       174.7735  1565.443       151.3691      -1.254767      3.029132  
1 1 1 12  10 3  f 18.74025  0.6976339     376.5492       36.84468  336.7618       36.78692      1.065134       1.395268  
1 1 1 12  10 4  o 19.27494  0.6754432     434.7863       36.52451  321.2588       36.36231      2.956918       1.350886  
1 1 1 12  10 5  o 9.849624  0.3676712     101.6938       10.19125  93.45020       10.21122      0.4201009      0.7353424 
1 1 1 12  10 6  o 2.103545  0.3179530     1.551491       2.016640  7.414719       1.967517      -1.269603      0.6359060 
1 1 1 12  10 7  o 12.46999  0.4717306     167.4166       16.57603  145.8171       16.53675      0.8694628      0.9434612 
1 1 1 12  10 8  o 14.63036  0.5459222     228.0474       22.53380  203.7528       22.44809      0.8329014      1.091844  
1 1 1 12  10 9  o 16.26663  0.6264440     271.8603       28.72967  263.4662       28.69148      0.2585713      1.252888  
1 1 1 12  10 10 o 16.28620  0.6211927     261.3241       28.49523  275.1582       28.50921      -0.4260130     1.242385  
1 1 1 12  10 11 o 23.00269  0.8843533     529.0081       57.25731  553.5212       57.36269      -0.5335740     1.768707  
1 1 1 12  10 12 o 13.68728  0.5383681     179.7048       20.68472  199.1541       20.80322      -0.7123894     1.076736  
1 1 1 12  10 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  10 14 o 26.92436  1.046488      763.3005       79.36925  769.4651       79.40415      -0.1141546     2.092976  
1 1 1 12  10 15 o 19.20425  0.7628046     386.8134       41.26086  380.9661       41.27167      0.1529419      1.525609  
1 1 1 12  10 16 o 21.70127  0.8911946     523.4127       54.46865  487.6559       54.41407      0.8255522      1.782389  
1 1 1 12  10 17 o 1.746851  0.5450022     -6.582609      5.602952  2.128888       5.780696      -0.6435776     1.090004  
1 1 1 12  10 18 o 4.741863  0.5296892     22.33534       6.659816  26.00279       7.064545      -0.3747255     1.059378  
1 1 1 12  10 19 o 3.964120  0.6286493     13.90858       6.742985  21.81059       7.111931      -0.9474642     1.257299  
1 1 1 12  10 20 o 3.692606  0.6824900     19.46757       7.107050  13.71677       7.619136      0.7297432      1.364980  
1 1 1 12  10 21 o 4.175008  0.6467301     23.74646       7.810681  21.20207       7.080392      0.1956092      1.293460  
1 1 1 12  10 22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  10 23 o 3.386456  0.6727973     10.27700       7.445541  29.86626       7.902020      -2.025910      1.345595  
1 1 1 12  12 0  o 3.484072  0.2444954     14.09319       2.231440  10.15752       2.486334      0.5815874      0.4889907 
1 1 1 12  12 1  o 13.58149  0.5197671     208.6086       19.82084  164.0504       19.79621      1.648640       1.039534  
1 1 1 12  12 2  o 15.23993  0.5923328     252.8717       27.39530  219.6737       23.69480      1.061902       1.184666  
1 1 1 12  12 3  o 20.90977  0.7917704     476.3106       46.63820  414.6208       46.55070      1.480639       1.583541  
1 1 1 12  12 4  o 19.59892  0.7226933     430.4454       39.85965  349.8779       39.74527      2.063925       1.445387  
1 1 1 12  12 5  o 8.237620  0.3251021     70.03437       7.519636  66.37936       7.566191      0.2229412      0.6502042 
1 1 1 12  12 6  o 16.17617  0.5811222     264.9081       26.48032  263.9556       26.52169      0.2978646E-01  1.162244  
1 1 1 12  12 7  o 12.17794  0.4712051     160.3411       16.16722  138.2098       16.12216      0.9124742      0.9424101 
1 1 1 12  12 8  o 39.21884  1.493393      1738.264       164.9723  1496.039       164.5836      3.096991       2.986785  
1 1 1 12  12 9  o 7.903768  0.3450223     60.50687       7.681749  65.14720       7.662212      -0.2950252     0.6900445 
1 1 1 12  12 10 o 15.85282  0.6246620     252.7357       27.88381  256.7633       27.91110      -0.1272216     1.249324  
1 1 1 12  12 11 o 17.68380  0.6884891     311.8939       34.25819  324.9030       34.33815      -0.3682677     1.376978  
1 1 1 12  12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  12 13 o 12.20245  0.4980886     144.0583       17.06757  158.0897       17.14531      -0.5764785     0.9961771 
1 1 1 12  12 14 o 10.90951  0.4632762     127.9100       14.17860  113.8154       14.25237      0.6502121      0.9265525 
1 1 1 12  12 15 o 6.798372  0.6794007     54.06667       10.49181  39.28321       16.56454      1.325589       1.358801  
1 1 1 12  12 16 o 9.114116  0.4416232     88.60981       11.27875  82.03853       11.34080      0.3639665      0.8832464 
1 1 1 12  12 17 o 4.578785  0.5543168     23.59341       6.767121  21.44947       7.084448      0.2558130      1.108634  
1 1 1 12  12 18 o 5.007237  0.5555044     31.11849       7.402390  23.03144       7.768410      0.8580289      1.111009  
1 1 1 12  12 19 o 2.791975  0.7108057     9.841912       6.956864  7.746798       7.480952      0.2043702      1.421611  
1 1 1 12  12 20 o 9.243223  0.5714771     100.3562       14.03127  101.8796       15.68435      0.1083371      1.142954  
1 1 1 12  12 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  12 22 o 2.002249  0.6314230     5.678127       7.062395  2.253942       7.601250      0.1912789      1.262846  
1 1 1 12  14 0  o 16.31648  0.6302398     290.8600       28.93331  247.4787       28.91477      1.335436       1.260480  
1 1 1 12  14 1  o 5.520619  0.2807714     36.79947       4.085179  24.48702       4.467073      1.131663       0.5615427 
1 1 1 12  14 2  o 7.248627  0.2936694     62.35990       5.983173  43.59434       5.893456      1.301533       0.5873387 
1 1 1 12  14 3  o 28.10533  1.054847      891.8129       83.42120  731.3466       83.21515      2.866195       2.109694  
1 1 1 12  14 4  o 1.206430  0.3629615     -1.879018      2.309555  1.193049       2.304516      -0.3886913     0.7259229 
1 1 1 12  14 5  o 11.45773  0.4489848     144.8850       15.59812  120.7797       13.47502      1.041301       0.8979697 
1 1 1 12  14 6  o 31.13508  1.205663      1063.760       105.6939  941.5304       105.6176      1.970496       2.411325  
1 1 1 12  14 7  o 10.44826  0.3945985     119.3656       11.61913  100.1308       11.57099      0.9243647      0.7891969 
1 1 1 12  14 8  o 24.06800  0.8922885     650.1396       60.45959  534.6255       60.27362      2.408965       1.784577  
1 1 1 12  14 9  o 10.24160  0.4149702     110.5006       11.96875  100.8354       11.95672      0.4737383      0.8299404 
1 1 1 12  14 10 o 20.44800  0.8073584     448.3338       46.50213  409.0597       46.45464      0.9636393      1.614717  
1 1 1 12  14 11 o 2.578740  0.5433843     4.739331       4.244530  8.730476       4.447848      -0.6229137     1.086769  
1 1 1 12  14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  14 13 o 12.30747  0.5013785     154.9727       17.36860  154.0616       17.39026      0.3744742E-01  1.002757  
1 1 1 12  14 14 o 2.841794  0.6213648     4.743000       5.458119  11.77908       5.967113      -0.9427059     1.242730  
1 1 1 12  14 15 f 2.136451  0.6236001     0.6790077      5.961058  2.937204       6.326283      -0.2525328     1.247200  
1 1 1 12  14 16 o 2.627646  0.6653685     2.554765       6.428676  10.24156       6.727128      -0.8476177     1.330737  
1 1 1 12  14 17 o 4.491510  0.6167330     27.68668       7.366979  16.40007       7.987389      1.301933       1.233466  
1 1 1 12  14 18 o 3.828407  0.7092649     18.51175       7.608584  17.16982       7.974592      0.1833038      1.418530  
1 1 1 12  14 19 o 3.461797  0.7387477     20.41304       7.988114  10.85983       8.525586      1.061810       1.477495  
1 1 1 12  14 20 o 3.099109  0.9454975     12.92466       13.20342  27.87636       17.58664      -0.6114812     1.890995  
1 1 1 12  14 21 o 2.288270  0.6753545     15.77176       8.671757  -0.7553973     7.802979      1.128231       1.350709  
1 1 1 12  14 22 o 1.638488  0.5615001     -4.681908      7.735517  0.8582049      8.411101      -0.2361049     1.123000  
1 1 1 12  16 0  o 17.06255  0.6608847     324.8124       31.69111  264.2260       31.66435      1.784199       1.321769  
1 1 1 12  16 1  o 9.643811  0.3903520     104.1608       10.51020  82.81222       10.61416      1.113947       0.7807041 
1 1 1 12  16 2  o 18.27868  0.7209445     399.4974       39.81044  283.2003       34.32374      3.151919       1.441889  
1 1 1 12  16 3  o 12.43526  0.4907727     173.0476       17.16388  138.6262       17.10433      1.390939       0.9815453 
1 1 1 12  16 4  o 7.582793  0.3284327     68.67020       6.955929  47.35794       6.912418      1.414776       0.6568654 
1 1 1 12  16 5  o 16.04601  0.6034524     283.9515       27.25827  236.6561       27.19679      1.480069       1.206905  
1 1 1 12  16 6  o 19.70449  0.7643405     426.6487       42.38213  363.8218       42.34169      1.601319       1.528681  
1 1 1 12  16 7  o 4.107299  0.3498776     18.53257       4.032968  15.74561       3.914135      0.3430517      0.6997551 
1 1 1 12  16 8  o 8.092720  0.3661479     74.30806       8.413939  57.78822       8.193236      1.025323       0.7322958 
1 1 1 12  16 9  o 11.74217  0.4934322     139.8752       16.29095  139.6454       16.33688      0.1027518E-01  0.9868644 
1 1 1 12  16 10 o 2.342916  0.5161102     9.944839       4.540196  -0.8485989     4.405012      1.436378       1.032220  
1 1 1 12  16 11 o 4.166725  0.4838071     14.61922       5.348899  21.15354       5.595492      -0.8001227     0.9676142 
1 1 1 12  16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  16 13 f 14.93451  0.6199458     235.9247       26.09035  228.4953       26.04831      0.2486421      1.239892  
1 1 1 12  16 14 f 11.41233  0.5275167     129.7219       16.81843  141.4298       17.02962      -0.5095444     1.055033  
1 1 1 12  16 15 o 7.677791  0.4628392     61.46765       9.779968  61.91690       10.14033      -0.1643395E-01 0.9256785 
1 1 1 12  16 16 o 2.932584  0.7102595     4.538911       7.246941  13.93082       7.675900      -1.005297      1.420519  
1 1 1 12  16 17 o 6.198888  0.5589384     46.00881       9.310718  39.71649       9.809784      0.5610046      1.117877  
1 1 1 12  16 18 o 6.566156  0.5813913     53.48903       10.23776  47.60920       10.86373      0.5300729      1.162783  
1 1 1 12  16 19 o 2.304778  0.6768449     -3.461033      8.457257  12.28785       8.087582      -1.035909      1.353690  
1 1 1 12  16 20 o 2.601061  0.7512462     9.031645       9.283687  13.78238       8.562626      -0.3770163     1.502492  
1 1 1 12  16 21 o 1.557991  0.5405381     0.6952777      8.039716  -14.11908      8.910661      0.3629190      1.081076  
1 1 1 12  18 0  o 33.84877  1.323200      1258.128       126.1206  1156.291       126.1077      1.509958       2.646399  
1 1 1 12  18 1  o 18.32046  0.7133066     376.6848       36.74479  305.9910       36.66965      1.938508       1.426613  
1 1 1 12  18 2  o 12.63870  0.5509207     217.4645       20.58434  113.2687       17.81350      4.123481       1.101841  
1 1 1 12  18 3  o 23.11782  0.9010534     601.3779       58.60345  496.9532       58.47253      2.268293       1.802107  
1 1 1 12  18 4  o 4.366662  0.3569367     23.44590       4.228016  15.08214       4.280560      0.9829510      0.7138733 
1 1 1 12  18 5  o 12.11553  0.4894047     163.9270       16.65918  132.7846       16.63944      1.292076       0.9788095 
1 1 1 12  18 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  18 7  o 24.89659  0.9620498     732.4465       67.23925  562.5961       66.99065      3.425189       1.924100  
1 1 1 12  18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  18 9  o 11.66056  0.4980899     141.3082       16.30088  135.6066       16.39600      0.2467424      0.9961798 
1 1 1 12  18 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  18 11 o 6.339317  0.4438106     40.73924       7.853116  41.83586       7.852207      -0.8743027E-01 0.8876212 
1 1 1 12  18 12 o 2.413694  0.6399934     -0.1440742     6.323549  8.443789       6.337817      -0.8650706     1.279987  
1 1 1 12  18 13 o 4.814210  0.5695479     20.48943       7.424196  28.73930       7.477912      -0.8796909     1.139096  
1 1 1 12  18 14 o 11.30098  0.5378729     139.0029       17.07601  133.0225       17.10176      0.2670294      1.075746  
1 1 1 12  18 15 o 5.553677  0.5693347     33.75537       8.496011  34.67868       8.881948      -0.5740886E-01 1.138669  
1 1 1 12  18 16 o 2.786378  0.7437672     7.957158       7.596745  9.619235       8.461764      -0.1855081     1.487534  
1 1 1 12  18 17 o 2.699040  0.7689490     9.360802       8.681392  7.844722       9.447318      0.9706073E-01  1.537898  
1 1 1 12  18 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  18 19 o 1.997269  0.6611545     -3.631177      9.798988  5.182257       9.269465      -0.3401184     1.322309  
1 1 1 12  18 20 o 2.035966  0.6797211     9.904940       10.77485  2.576070       9.804710      0.2929901      1.359442  
1 1 1 12  20 0  o 2.342394  0.5371302     5.334680       3.851029  5.436085       4.315609      -0.5287085E-01 1.074260  
1 1 1 12  20 1  o 6.914338  0.3674685     59.00182       6.903430  37.88754       7.102800      1.546551       0.7349370 
1 1 1 12  20 2  o 7.585010  0.4291025     69.32294       8.815522  47.14499       9.191835      1.485672       0.8582051 
1 1 1 12  20 3  f 1.948916  0.5704970     -0.8368539     4.576412  3.453979       6.186532      -0.6681875     1.140994  
1 1 1 12  20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  20 5  f 9.552403  0.4181434     98.75105       11.25711  85.92367       11.19650      0.6743326      0.8362867 
1 1 1 12  20 6  o 7.339491  0.3868041     51.93401       7.804231  57.41501       8.134803      -0.3710810     0.7736081 
1 1 1 12  20 7  o 10.49498  0.5011221     121.6336       13.61174  101.3249       16.08522      1.018332       1.002244  
1 1 1 12  20 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  20 9  o 9.151271  0.4514973     94.12911       11.64800  77.18864       11.51430      0.9297613      0.9029946 
1 1 1 12  20 10 o 12.06171  0.5392634     157.7376       18.27683  144.4262       18.30543      0.5553180      1.078527  
1 1 1 12  20 11 o 2.419822  0.6865535     6.600007       7.221337  -0.2685490     7.596351      0.5374870      1.373107  
1 1 1 12  20 12 o 2.310434  0.6791403     0.1808235E-01  7.620811  4.393401       7.218494      -0.2974016     1.358281  
1 1 1 12  20 13 o 8.760035  0.5136927     87.73368       12.58178  76.70798       12.60402      0.6363385      1.027385  
1 1 1 12  20 14 o 6.824744  0.5438924     51.90789       10.32728  51.63461       10.30521      0.1864050E-01  1.087785  
1 1 1 12  20 15 o 2.499576  0.7317265     8.392881       8.450227  2.341617       8.784614      0.4241202      1.463453  
1 1 1 12  20 16 f 2.218252  0.7079130     0.6055694      8.820738  3.119425       10.09324      -0.2208919     1.415826  
1 1 1 12  20 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  20 18 o 2.031511  0.6788875     6.716783       10.66275  -2.425095      10.10151      0.3700450      1.357775  
1 1 1 12  22 0  o 3.196768  0.6851152     19.94309       8.559510  -0.6746811     7.334384      2.162769       1.370230  
1 1 1 12  22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  22 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  22 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  22 5  o 2.448291  0.6292081     2.519047       5.802485  7.508557       5.787417      -0.5658460     1.258416  
1 1 1 12  22 6  o 2.452225  0.6732932     6.005399       7.312135  2.897183       6.214756      0.4245896      1.346586  
1 1 1 12  22 7  o 5.793076  0.5056741     43.57460       8.147188  26.41397       7.756904      1.507146       1.011348  
1 1 1 12  22 8  o 6.757526  0.4850464     50.46751       8.952292  44.43827       9.312910      0.4646536      0.9700929 
1 1 1 12  22 9  f 7.520917  0.4732719     66.29603       10.13692  51.93818       9.708113      0.9498785      0.9465438 
1 1 1 12  22 10 o 6.713932  0.5405524     49.49468       10.36053  47.44129       9.823140      0.1278715      1.081105  
1 1 1 12  22 11 o 8.285178  0.5329911     90.61982       12.53933  58.32632       11.80892      1.935242       1.065982  
1 1 1 12  22 12 o 3.472826  0.6751851     29.75577       9.554877  -3.864910      8.532331      3.004550       1.350370  
1 1 1 12  22 13 o 5.790448  0.6744914     29.02080       10.87342  50.93938       10.22975      -2.022108      1.348983  
1 1 1 12  22 14 o 2.327515  0.7211542     10.03889       9.983274  -3.878069      9.399207      0.8195681      1.442308  
1 1 1 12  22 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  22 16 o 2.029741  0.6792010     4.849296       10.71896  -4.472299      10.21294      0.3762215      1.358402  
1 1 1 12  24 0  o 9.727881  0.4636145     107.1273       12.42075  87.66389       12.87016      1.020200       0.9272289 
1 1 1 12  24 1  o 7.913677  0.4638799     62.52956       9.467057  68.01637       11.35144      -0.2953000     0.9277598 
1 1 1 12  24 2  o 9.164677  0.4642187     102.0077       11.90079  71.92313       11.77540      1.653053       0.9284375 
1 1 1 12  24 3  o 4.733498  0.5428767     15.98299       6.645398  31.74012       7.168139      -1.691263      1.085753  
1 1 1 12  24 4  o 3.637805  0.7367087     12.28137       6.952713  18.34084       9.313460      -0.6798794     1.473417  
1 1 1 12  24 5  o 6.874955  0.4726520     54.90783       8.853662  43.42325       9.216636      0.8626223      0.9453040 
1 1 1 12  24 6  o 4.576373  0.6051568     28.21424       7.581411  17.14388       7.542045      1.229511       1.210314  
1 1 1 12  24 7  o 9.529020  0.5096915     95.87253       13.31152  97.53020       13.98376      -0.5691796E-01 1.019383  
1 1 1 12  24 8  o 2.186457  0.6888129     -1.195529      8.834667  -0.9343668     8.400087      0.3575579E-01  1.377626  
1 1 1 12  24 9  o 5.479316  0.6786621     42.35116       10.15253  26.69667       10.05008      1.458032       1.357324  
1 1 1 12  24 10 o 6.942200  0.6808678     64.44273       11.66868  47.46886       14.31776      1.550518       1.361736  
1 1 1 12  24 11 o 5.193246  0.8699739     38.49472       15.82059  37.36703       11.12409      -0.5261210     1.739948  
1 1 1 12  24 12 o 2.726820  0.8134896     3.211627       11.52060  13.91662       10.80852      -0.6260253     1.626979  
1 1 1 12  24 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  24 14 o 3.106326  0.9601011     30.01460       15.92972  20.80484       16.53562      0.4525198      1.920202  
1 1 1 12  26 0  o 2.607959  0.7344970     2.615608       7.678145  8.885810       8.951767      -0.6228330     1.468994  
1 1 1 12  26 1  o 2.232718  0.6661999     6.050412       7.221814  -5.084030      8.302050      0.6452162      1.332400  
1 1 1 12  26 2  o 5.649279  0.6392566     51.51090       8.907332  20.34426       10.09723      2.889106       1.278513  
1 1 1 12  26 3  o 7.229946  0.5267594     67.33782       10.19315  45.41260       10.67651      1.578461       1.053519  
1 1 1 12  26 4  o 5.110884  0.6829718     30.79465       8.201466  29.76806       12.48183      0.4577923      1.365944  
1 1 1 12  26 5  o 2.751645  0.7734768     6.262258       7.965319  8.835139       10.31334      -0.3363806     1.546954  
1 1 1 12  26 6  o 3.483913  0.7172945     23.65316       8.561310  5.537877       8.266537      1.868087       1.434589  
1 1 1 12  26 7  f 2.359743  0.7301109     5.977682       9.557820  -1.527781      9.344900      0.4614545      1.460222  
1 1 1 12  26 8  o 4.531510  0.7900900     26.01893       10.06718  29.21259       10.08130      -0.3296248     1.580180  
1 1 1 12  26 9  o 5.647656  0.8790064     45.97530       16.01809  47.79592       12.49506      -0.7780402     1.758013  
1 1 1 12  26 10 o 2.126581  0.7388574     -38.81190      18.93191  1.159229       14.54426      -0.5134047     1.477715  
1 1 1 12  26 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  26 12 o 2.048716  0.7375363     -21.92427      22.07773  -34.58479      25.43517      0.2076177E-01  1.475073  
1 1 1 12  28 0  o 2.247862  1.059858      ?              ?         -4.357034      12.38009      ?              ?         
1 1 1 12  28 1  o 3.725152  1.488424      ?              ?         24.63456       16.75567      ?              ?         
1 1 1 12  28 2  o 2.309100  0.7971838     -14.57306      15.60133  -9.350668      18.55366      -0.2916462     1.594368  
1 1 1 12  28 3  o 2.505072  0.8519056     -6.900105      15.75456  -1.093103      19.80257      -0.3351374     1.703811  
1 1 1 12  28 4  o 3.344251  0.9621029     41.04550       17.32875  -29.28292      25.17299      2.188711       1.924206  
1 1 1 12  28 5  o 2.570867  0.8788517     1.973878       16.82671  -8.466413      23.49413      0.1272321E-01  1.757703  
1 1 1 12  28 6  o 3.580441  1.098071      27.97357       17.98579  42.06669       23.93254      -0.2391513     2.196143  
1 1 1 12  28 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  28 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 12  28 9  o 2.469411  0.8343655     10.36799       12.53238  11.55581       25.50482      -0.3371167E-01 1.668731  
1 1 1 12  30 0  o 2.257268  0.7612116     4.745827       13.77210  1.212545       13.23356      0.1253014      1.522423  
1 1 1 13  1  1  o 24.40836  1.851592      609.6325       89.71412  ?              ?             ?              ?         
1 1 1 13  1  2  o 10.56331  0.6793585     109.1184       17.37147  120.0776       24.51270      -0.4681239     1.358717  
1 1 1 13  1  3  o 14.83169  0.7487463     210.0363       31.15462  234.3599       31.19242      -0.8251006     1.497493  
1 1 1 13  1  4  o 33.08747  1.762954      971.1387       162.3258  1318.103       162.7534      -5.291691      3.525908  
1 1 1 13  1  5  o 37.68208  2.076638      1368.226       218.5774  1678.898       219.1030      -4.154569      4.153276  
1 1 1 13  1  6  o 26.77446  1.441250      631.3890       107.2592  871.0538       107.5456      -4.518556      2.882499  
1 1 1 13  1  7  o 19.71323  1.072278      358.5534       59.10044  443.7575       59.15259      -2.180695      2.144555  
1 1 1 13  1  8  o 13.54640  0.7382681     173.2670       28.03449  200.6845       28.00919      -1.020608      1.476536  
1 1 1 13  1  9  o 9.498545  0.5402868     76.61720       14.25309  106.1115       14.29972      -1.569856      1.080574  
1 1 1 13  1  10 o 15.26472  0.7540010     205.3180       35.50805  264.6120       29.10542      -2.029086      1.508002  
1 1 1 13  1  11 o 25.59599  0.9649767     639.9310       69.52202  701.0585       69.60671      -1.197719      1.929953  
1 1 1 13  1  12 o 14.24203  0.5361208     204.5414       21.51050  204.8940       21.52645      -0.1231637E-01 1.072242  
1 1 1 13  1  13 o 3.590570  0.3424151     12.31197       3.350448  13.96289       3.417036      -0.2332285     0.6848302 
1 1 1 13  1  14 o 18.79779  0.7372093     354.4731       39.03111  366.1238       39.04603      -0.3107659     1.474419  
1 1 1 13  1  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  1  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  1  17 f 3.290574  0.5807346     13.16499       6.002207  10.20285       4.884264      0.4128208      1.161469  
1 1 1 13  1  18 o 5.059431  0.4292232     18.58707       5.825230  34.26170       5.802788      -1.593244      0.8584464 
1 1 1 13  1  19 o 2.847039  0.6183596     9.568810       5.440294  7.733601       5.519972      0.2482401      1.236719  
1 1 1 13  1  20 o 8.869194  0.4449929     78.13101       11.01783  87.23876       11.14092      -0.5114670     0.8899857 
1 1 1 13  1  21 o 3.368020  0.6472622     16.71928       6.448589  9.974240       6.537138      0.8633335      1.294524  
1 1 1 13  1  22 o 1.856268  0.5933425     1.374859       6.705001  -2.916904      6.741022      0.2587002      1.186685  
1 1 1 13  1  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  1  24 o 2.427785  0.6619889     7.730449       6.535028  12.31560       6.564729      -0.4509124     1.323978  
1 1 1 13  3  0  o 21.83285  0.8137056     481.7104       50.07049  481.2261       50.07150      0.1112878E-01  1.627411  
1 1 1 13  3  1  o 28.44749  1.069070      818.4074       85.71454  825.3715       85.70461      -0.1228105     2.138140  
1 1 1 13  3  2  o 28.78886  1.101223      810.5749       89.25784  874.2736       89.33157      -1.109853      2.202447  
1 1 1 13  3  3  o 19.30661  0.7763771     395.0757       39.44219  353.7477       45.50639      1.109462       1.552754  
1 1 1 13  3  4  o 24.05018  0.8815633     582.8122       59.76728  590.6506       59.75635      -0.1634743     1.763127  
1 1 1 13  3  5  o 28.52296  1.044066      833.0086       83.92784  831.4283       83.95879      0.2801782E-01  2.088131  
1 1 1 13  3  6  o 26.86799  1.001454      719.9604       75.77235  760.6679       75.85880      -0.7591481     2.002907  
1 1 1 13  3  7  o 9.837630  0.3762178     96.96632       10.42139  97.90752       10.43706      -0.4787857E-01 0.7524357 
1 1 1 13  3  8  o 13.99340  0.5181015     203.3209       20.43682  192.2548       20.42154      0.3965321      1.036203  
1 1 1 13  3  9  o 7.405738  0.3046775     58.53015       6.370287  51.68053       6.324799      0.4642602      0.6093550 
1 1 1 13  3  10 o 7.476165  0.3371935     42.10009       5.869636  72.80802       8.409521      -2.041220      0.6743870 
1 1 1 13  3  11 o 27.30788  1.493277      676.1206       113.5112  895.1826       113.9288      -4.046599      2.986554  
1 1 1 13  3  12 o 22.33012  1.217699      453.4573       75.82951  579.7485       76.10384      -2.852324      2.435398  
1 1 1 13  3  13 o 7.013741  0.4547895     40.57560       8.854438  58.79663       8.787372      -1.319901      0.9095790 
1 1 1 13  3  14 o 7.900834  0.4896943     54.04636       10.88050  72.04136       10.64503      -1.157209      0.9793885 
1 1 1 13  3  15 o 13.57868  0.7825174     160.3364       29.59666  218.9914       29.52762      -2.186316      1.565035  
1 1 1 13  3  16 o 12.60357  0.7449275     149.1320       26.35350  179.0602       26.13456      -1.203798      1.489855  
1 1 1 13  3  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  3  18 o 4.478877  0.6223662     15.99844       7.902851  26.07536       7.481723      -1.147080      1.244732  
1 1 1 13  3  19 o 3.930061  0.6683554     7.958011       8.168042  25.09154       7.773087      -1.911723      1.336711  
1 1 1 13  3  20 o 4.742783  0.5828772     20.31454       9.077457  27.74986       6.710712      -0.9538797     1.165754  
1 1 1 13  3  21 o 2.515040  0.6692094     6.256566       6.420760  6.995115       6.524876      -0.8310012E-01 1.338419  
1 1 1 13  3  22 o 2.348129  0.6696628     7.586205       6.877763  3.842198       6.985442      0.3243888      1.339326  
1 1 1 13  3  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  3  24 o 3.583969  0.6785699     18.39528       6.983715  23.56064       7.155920      -0.5955854     1.357140  
1 1 1 13  5  0  o 26.79286  1.009102      720.3884       76.17892  738.5624       76.20296      -0.3400257     2.018205  
1 1 1 13  5  1  o 20.26072  0.7562680     408.2903       43.17501  421.1919       43.18740      -0.3192711     1.512536  
1 1 1 13  5  2  o 15.39007  0.5521466     242.1608       23.95214  234.7625       23.95599      0.2410352      1.104293  
1 1 1 13  5  3  o 8.743835  0.3309247     75.76224       8.159388  77.82949       8.148259      -0.1186238     0.6618495 
1 1 1 13  5  4  o 11.95721  0.4325368     143.6994       14.58239  144.0118       14.57724      -0.1312589E-01 0.8650736 
1 1 1 13  5  5  o 12.27074  0.4211861     152.2114       14.57327  150.8535       14.57527      0.5547485E-01  0.8423721 
1 1 1 13  5  6  o 10.95315  0.3955370     111.0871       12.16391  130.2026       12.22203      -0.8757772     0.7910741 
1 1 1 13  5  7  o 15.13155  0.5729308     227.3276       24.41658  236.1328       24.43915      -0.2916789     1.145862  
1 1 1 13  5  8  o 6.453642  0.2722707     43.49111       4.969075  40.23592       4.920906      0.2528767      0.5445414 
1 1 1 13  5  9  f 13.76088  0.5036222     191.1413       19.55909  191.1758       19.51119      -0.1578743E-02 1.007244  
1 1 1 13  5  10 o 25.48680  0.9464043     646.5150       67.94414  683.3547       67.98898      -0.7245994     1.892809  
1 1 1 13  5  11 o 34.32705  1.293660      1175.859       125.0088  1273.411       125.1615      -1.424272      2.587319  
1 1 1 13  5  12 o 16.95033  0.6167575     276.9118       29.40376  303.8499       29.49837      -0.7967188     1.233515  
1 1 1 13  5  13 o 4.407307  0.3256038     15.67223       3.847122  23.67721       4.054148      -0.9212878     0.6512076 
1 1 1 13  5  14 o 12.27436  0.4853179     147.3224       16.74714  157.2556       16.80433      -0.4056129     0.9706358 
1 1 1 13  5  15 o 10.67348  0.4412368     118.4566       13.25575  112.0428       13.26187      0.3016781      0.8824735 
1 1 1 13  5  16 o 10.27013  0.4324682     103.8348       12.49330  110.1159       12.51015      -0.3068172     0.8649364 
1 1 1 13  5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  5  18 o 5.845613  0.4019029     33.16863       6.564373  37.01421       6.542517      -0.3333659     0.8038058 
1 1 1 13  5  19 o 8.409585  0.4331169     72.26260       10.09414  74.90215       10.37189      -0.1485394     0.8662339 
1 1 1 13  5  20 o 5.059893  0.5718800     26.43104       6.988864  31.67405       9.287103      -0.3580517     1.143760  
1 1 1 13  5  21 o 4.825696  0.7517136     28.97883       10.06170  30.11279       9.910385      -0.1331802     1.503427  
1 1 1 13  5  22 o 4.624996  0.8074449     20.89860       11.45223  41.59662       11.03805      -2.021055      1.614890  
1 1 1 13  5  23 o 2.040098  0.6822171     -4.269492      10.79120  3.828387       10.27565      -0.2743541     1.364434  
1 1 1 13  5  24 o 2.285925  0.7231988     10.59120       8.541824  11.90949       11.08491      0.8002064E-02  1.446398  
1 1 1 13  7  0  o 9.807885  0.3810790     99.86375       10.52355  93.48306       10.53059      0.3264811      0.7621581 
1 1 1 13  7  1  o 9.849745  0.3804396     96.21877       10.54080  98.90233       10.57480      -0.1364670     0.7608793 
1 1 1 13  7  2  o 22.61819  0.8383335     511.4762       53.42128  528.8033       53.45584      -0.3839096     1.676667  
1 1 1 13  7  3  o 30.99397  1.154401      989.2227       100.8451  994.4857       100.8398      -0.8519821E-01 2.308802  
1 1 1 13  7  4  o 20.91813  0.7725014     459.1855       45.55362  430.7014       45.50915      0.6826800      1.545003  
1 1 1 13  7  5  o 23.85160  0.8669211     603.4921       58.26947  559.9708       58.25558      0.9151907      1.733842  
1 1 1 13  7  6  o 23.98101  0.9004157     559.9995       60.74395  619.1202       60.87543      -1.235926      1.800831  
1 1 1 13  7  7  o 7.851576  0.3162796     60.80817       6.965141  63.23226       7.022705      -0.1544955     0.6325593 
1 1 1 13  7  8  o 20.63108  0.7896947     442.5800       45.92440  425.4240       45.88142      0.4167122      1.579389  
1 1 1 13  7  9  o 5.773920  0.2624697     36.19739       4.298540  30.78648       4.214335      0.4705670      0.5249394 
1 1 1 13  7  10 o 14.52643  0.5449688     209.3785       22.32107  216.5779       22.29611      -0.2487039     1.089938  
1 1 1 13  7  11 o 29.36180  1.097962      857.0920       90.76991  917.8222       90.87696      -1.036591      2.195925  
1 1 1 13  7  12 o 21.36697  0.7886459     446.4763       47.42472  482.9833       47.52282      -0.8563414     1.577292  
1 1 1 13  7  13 o 8.771105  0.3639540     71.92966       8.893776  82.96076       9.061509      -0.6305037     0.7279081 
1 1 1 13  7  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  7  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  7  16 o 13.12819  0.5381147     175.2928       19.90171  177.4614       19.88902      -0.8307725E-01 1.076229  
1 1 1 13  7  17 o 12.86621  0.5412008     167.9802       19.58118  173.7466       19.62621      -0.2239708     1.082402  
1 1 1 13  7  18 o 2.806277  0.5382705     -1.934318      5.441052  16.18226       5.633689      -2.162210      1.076541  
1 1 1 13  7  19 o 4.801558  0.5176173     31.99083       6.526545  17.08235       6.799307      1.620262       1.035235  
1 1 1 13  7  20 o 3.924006  0.6163093     14.36584       6.549256  21.02732       6.842711      -0.8097616     1.232619  
1 1 1 13  7  21 o 1.980506  0.6173737     2.265362       6.582733  -1.194355      7.025703      0.1855747      1.234747  
1 1 1 13  7  22 o 2.804909  0.9311355     13.33807       19.69093  10.49091       17.86552      0.9484144E-01  1.862271  
1 1 1 13  7  23 o 2.103350  0.6233562     13.59418       7.761817  -3.092628      6.853695      1.175269       1.246712  
1 1 1 13  9  0  o 11.76791  0.4455692     142.3066       14.75428  136.7875       14.79467      0.2354925      0.8911385 
1 1 1 13  9  1  o 22.85731  0.9466130     515.9183       56.90909  561.6041       65.76966      -0.9108762     1.893226  
1 1 1 13  9  2  o 24.06895  0.9326313     605.9335       63.24621  583.2337       63.23269      0.4729477      1.865263  
1 1 1 13  9  3  o 21.51636  0.7764069     485.8955       47.09570  457.6607       47.06366      0.6578318      1.552814  
1 1 1 13  9  4  o 7.227494  0.2830391     56.78626       5.793249  48.14165       5.713459      0.6002015      0.5660782 
1 1 1 13  9  5  o 10.87879  0.4097873     121.5822       12.56291  116.8908       12.56072      0.2162699      0.8195746 
1 1 1 13  9  6  o 13.52258  0.5144635     174.5263       19.55532  194.5852       19.62098      -0.7441087     1.028927  
1 1 1 13  9  7  o 21.57832  0.8026295     466.9110       48.77418  482.5947       48.84442      -0.3638658     1.605259  
1 1 1 13  9  8  o 14.35599  0.5337827     214.0098       21.61458  201.9481       21.56912      0.4211303      1.067565  
1 1 1 13  9  9  o 27.96308  1.040555      822.7428       82.06204  783.0204       81.92053      0.7111491      2.081111  
1 1 1 13  9  10 o 9.541032  0.3876087     90.84219       10.42487  92.42480       10.40656      -0.8333346E-01 0.7752174 
1 1 1 13  9  11 o 12.21480  0.4732576     147.4700       16.26828  153.4354       16.30290      -0.2447507     0.9465153 
1 1 1 13  9  12 o 19.54951  0.7511607     375.7342       41.30838  403.3261       41.41518      -0.7071688     1.502321  
1 1 1 13  9  13 o 19.69490  1.285981      335.5769       59.31965  511.9493       84.43595      -4.002907      2.571961  
1 1 1 13  9  14 o 9.326887  0.4076291     91.31861       10.66355  84.49595       10.72792      0.3681284      0.8152581 
1 1 1 13  9  15 o 11.11919  0.4657876     125.9949       14.56427  125.4673       14.60229      0.2430551E-01  0.9315752 
1 1 1 13  9  16 o 17.91049  2.574858      413.1119       89.58627  ?              ?             ?              ?         
1 1 1 13  9  17 o 4.503585  0.4870526     22.75434       5.939641  19.62836       6.056284      0.3606953      0.9741053 
1 1 1 13  9  18 o 4.549690  0.5176530     23.42665       6.368150  20.72471       6.491347      0.3107229      1.035306  
1 1 1 13  9  19 o 6.255603  0.4633764     39.72961       7.816457  43.90101       8.348024      -0.3091251     0.9267529 
1 1 1 13  9  20 o 2.411983  0.6672192     7.177570       6.491015  3.645178       6.906157      0.3072535      1.334438  
1 1 1 13  9  21 o 1.801370  0.5883039     -5.545538      6.914378  1.147626       7.425394      -0.4137056     1.176608  
1 1 1 13  9  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  9  23 o 2.056829  0.6487260     8.792629       8.295804  3.351248       7.175190      0.3508572      1.297452  
1 1 1 13  11 0  o 10.19442  0.3871717     104.9371       11.08329  104.4260       11.16268      0.2567815E-01  0.7743434 
1 1 1 13  11 1  f 24.23407  1.002020      598.6088       63.95018  617.1885       73.87850      -0.2672197     2.004040  
1 1 1 13  11 2  o 26.40022  0.9698623     735.4861       72.18148  700.1475       72.13142      0.6707582      1.939725  
1 1 1 13  11 3  o 8.025141  0.3087041     67.48554       7.013441  61.97493       6.940576      0.3440764      0.6174082 
1 1 1 13  11 4  o 4.824108  0.2395531     27.98973       3.308964  19.02662       3.128165      0.9346825      0.4791062 
1 1 1 13  11 5  o 12.55283  0.4793209     170.7355       16.93599  146.7701       16.92221      0.9587479      0.9586418 
1 1 1 13  11 6  o 16.66740  0.6195762     280.5309       29.07217  281.8542       29.13939      -0.3933762E-01 1.239152  
1 1 1 13  11 7  o 27.51197  1.034950      793.1016       80.21824  761.9751       80.24829      0.5677217      2.069900  
1 1 1 13  11 8  o 18.18937  0.6731060     359.0764       34.50338  310.2478       34.41571      1.347206       1.346212  
1 1 1 13  11 9  o 24.93098  0.9339848     668.8776       65.65018  601.2022       65.49289      1.361063       1.867970  
1 1 1 13  11 10 o 10.79844  0.4385223     117.9833       13.34492  117.1503       13.32950      0.3859484E-01  0.8770446 
1 1 1 13  11 11 o 13.19247  0.5249690     179.1474       19.51564  172.8815       19.49891      0.2381495      1.049938  
1 1 1 13  11 12 o 7.377021  0.3613876     52.40540       7.323542  57.53571       7.663091      -0.3461989     0.7227753 
1 1 1 13  11 13 o 2.554347  0.5631135     5.779278       4.179236  7.549930       4.896566      -0.3078285     1.126227  
1 1 1 13  11 14 o 17.20422  0.6618457     293.5368       32.02930  315.1803       32.11295      -0.6299371     1.323691  
1 1 1 13  11 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  11 16 o 6.583537  0.4150203     40.71103       7.556550  48.11297       7.704159      -0.5645874     0.8300405 
1 1 1 13  11 17 o 8.472643  0.4420768     70.10776       10.45275  78.58276       10.56357      -0.5001982     0.8841535 
1 1 1 13  11 18 o 6.219443  0.4597565     39.16816       7.902273  42.72791       8.022392      -0.2840804     0.9195129 
1 1 1 13  11 19 o 2.022840  0.5973344     7.314970       6.562276  -9.223077      7.154405      1.048867       1.194669  
1 1 1 13  11 20 o 3.246805  0.7238370     13.51381       7.218339  14.30782       7.647010      -0.6909772E-01 1.447674  
1 1 1 13  11 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  11 22 o 3.568264  0.7429426     20.46820       8.489750  21.79417       7.691146      -0.3071252     1.485885  
1 1 1 13  11 23 o 1.779754  0.5902122     2.126910       7.145080  2.860755       7.877783      -0.6243434E-01 1.180424  
1 1 1 13  13 0  o 10.12504  0.5164758     121.8956       11.90863  83.00980       16.81022      1.995291       1.032952  
1 1 1 13  13 1  o 14.14306  0.5560366     221.9253       22.07153  181.9123       22.11703      1.422233       1.112073  
1 1 1 13  13 2  o 5.705714  0.2617674     36.24516       4.193223  29.12479       4.182409      0.6281711      0.5235349 
1 1 1 13  13 3  o 15.49934  0.5783011     254.0274       25.26942  231.1820       25.22227      0.7393386      1.156602  
1 1 1 13  13 4  o 16.40077  0.5720003     317.7527       26.28263  227.2304       26.14592      2.771358       1.144001  
1 1 1 13  13 5  o 9.008836  0.3701445     89.46982       10.12029  74.62463       8.722528      0.8170273      0.7402891 
1 1 1 13  13 6  o 12.93608  0.5067948     182.6048       18.43741  154.4983       18.43423      1.091593       1.013590  
1 1 1 13  13 7  o 25.89174  0.9735350     704.9171       71.01233  667.8635       71.02795      0.7179979      1.947070  
1 1 1 13  13 8  o 16.67297  0.6475888     295.7758       30.42303  266.9709       30.37423      0.8669241      1.295178  
1 1 1 13  13 9  o 8.667024  0.3660319     72.71865       8.958019  78.44938       8.898112      -0.3324851     0.7320638 
1 1 1 13  13 10 o 20.09484  0.7803458     435.6720       44.18464  389.4519       44.09936      1.153912       1.560692  
1 1 1 13  13 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  13 12 o 14.02496  0.5587305     203.7092       22.04383  196.7434       22.09992      0.2498368      1.117461  
1 1 1 13  13 13 o 4.335158  0.4685784     18.32511       5.226468  20.79819       5.953357      -0.2707242     0.9371567 
1 1 1 13  13 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  13 15 o 11.70709  0.4974912     135.2426       16.30406  147.1118       16.47191      -0.5053868     0.9949824 
1 1 1 13  13 16 o 2.260905  0.6303282     0.5576484      6.028227  6.011427       6.203902      -0.5517085     1.260656  
1 1 1 13  13 17 o 6.682984  0.4609735     37.87251       8.373687  56.21865       8.612364      -1.384970      0.9219469 
1 1 1 13  13 18 o 1.981675  0.6148715     -4.262203      6.791980  3.374065       6.981723      -0.5403453     1.229743  
1 1 1 13  13 19 o 2.411745  0.6900018     8.546182       7.300986  1.368596       7.879124      0.5449618      1.380004  
1 1 1 13  13 20 o 2.666010  0.7420006     9.268110       7.929097  9.856867       8.512742      -0.5263755E-01 1.484001  
1 1 1 13  13 21 o 2.154009  0.6910304     3.027584       8.486984  5.483712       9.819313      -0.1803844     1.382061  
1 1 1 13  13 22 o 1.789907  0.5837405     13.09476       8.982930  -12.99015      8.142784      1.086679       1.167481  
1 1 1 13  15 0  o 11.74864  0.4649998     146.8703       15.36262  130.9866       15.38996      0.6790957      0.9299996 
1 1 1 13  15 1  o 4.131841  0.3291315     24.26354       3.201112  10.75985       3.735899      1.689731       0.6582630 
1 1 1 13  15 2  o 24.99244  0.9417383     664.2252       66.33772  612.2393       66.25397      1.043015       1.883477  
1 1 1 13  15 3  o 5.420606  0.2755728     33.47195       4.249930  25.66372       4.106836      0.7246644      0.5511457 
1 1 1 13  15 4  o 22.91450  0.7803892     620.7994       50.10746  449.1563       49.89508      3.759938       1.560778  
1 1 1 13  15 5  o 17.42153  0.6526052     330.1784       32.01646  283.8878       31.97070      1.333946       1.305210  
1 1 1 13  15 6  o 8.910249  0.3618882     86.77001       9.018992  72.74245       9.106641      0.7920220      0.7237763 
1 1 1 13  15 7  o 27.62595  1.059721      822.7212       82.46444  755.3242       82.42889      1.223970       2.119442  
1 1 1 13  15 8  o 7.651011  0.3496678     63.39742       7.591534  54.49617       7.438566      0.5836912      0.6993356 
1 1 1 13  15 9  o 17.24559  1.494460      321.0458       71.68124  330.5645       71.05220      -0.2955141     2.988919  
1 1 1 13  15 10 o 13.17841  0.5359409     184.0558       19.86818  168.4412       19.89256      0.5951844      1.071882  
1 1 1 13  15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  15 12 o 10.45889  0.4664500     117.5850       13.70338  104.8550       13.72634      0.6121630      0.9329001 
1 1 1 13  15 13 o 3.907485  0.6006276     18.75236       5.981750  12.27661       7.576707      0.8206035      1.201255  
1 1 1 13  15 14 f 7.999089  0.4279870     64.97478       9.547372  66.45943       9.675477      -0.9044420E-01 0.8559740 
1 1 1 13  15 15 f 3.131773  0.6328255     15.43135       6.149290  4.163847       6.846465      1.328091       1.265651  
1 1 1 13  15 16 o 3.872759  0.6329720     21.84555       6.899688  11.05345       7.198610      1.317936       1.265944  
1 1 1 13  15 17 o 5.049746  0.5899857     30.23933       8.006826  27.14746       8.253167      0.3339086      1.179971  
1 1 1 13  15 18 o 2.150387  0.6688191     -0.2964672     7.659029  2.895428       8.157121      -0.2532474     1.337638  
1 1 1 13  15 19 o 1.981596  0.6454446     1.500949       8.182424  -4.235383      8.756936      0.2294735      1.290889  
1 1 1 13  15 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  15 21 o 3.802680  0.7471573     16.99627       9.950843  36.91098       9.228889      -2.080639      1.494315  
1 1 1 13  17 0  o 3.982933  0.3389522     19.09697       3.622855  12.82499       3.760498      0.8118281      0.6779045 
1 1 1 13  17 1  o 15.97281  0.7381055     278.5964       28.18603  232.6600       39.81789      1.570402       1.476211  
1 1 1 13  17 2  o 3.965289  0.3532070     19.43947       3.614692  12.10449       3.986026      0.9634709      0.7064140 
1 1 1 13  17 3  o 18.07438  0.6940990     358.1984       35.34000  305.0370       35.23761      1.476474       1.388198  
1 1 1 13  17 4  o 13.92358  0.4955574     220.6108       19.36839  171.0178       19.34841      1.788870       0.9911148 
1 1 1 13  17 5  o 4.384134  0.3430595     17.60087       4.222937  21.20146       4.118684      -0.4199526     0.6861189 
1 1 1 13  17 6  o 3.595764  0.4364479     13.94089       4.680469  12.95265       3.966298      0.1210464      0.8728959 
1 1 1 13  17 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  17 8  o 5.378615  0.3843527     24.70345       5.816755  33.66012       5.626970      -0.8513615     0.7687054 
1 1 1 13  17 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  17 10 o 11.85402  0.4954932     152.6530       16.49523  133.2243       16.53970      0.8243040      0.9909863 
1 1 1 13  17 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  17 12 o 5.210968  0.4812120     31.37520       6.887856  24.63623       6.887300      0.6627446      0.9624240 
1 1 1 13  17 13 o 6.745492  0.4521145     45.42029       8.605454  48.71465       8.433689      -0.2517893     0.9042289 
1 1 1 13  17 14 o 2.682391  0.5982462     15.39903       6.580949  -6.280609      6.906493      2.019552       1.196492  
1 1 1 13  17 15 o 2.548258  0.6917527     4.374572       6.712351  7.356790       7.379369      -0.3434453     1.383505  
1 1 1 13  17 16 o 4.604989  0.6384175     19.00546       7.759083  29.96514       8.293048      -1.157156      1.276835  
1 1 1 13  17 17 o 2.836956  0.7527729     7.912345       7.900097  11.99663       8.563918      -0.3909805     1.505546  
1 1 1 13  17 18 o 2.641514  0.7281960     16.63351       8.764657  -1.115778      9.427272      1.268328       1.456392  
1 1 1 13  17 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  17 20 o 2.445721  0.7504075     9.754209       10.21910  14.64356       9.368246      -0.3235734     1.500815  
1 1 1 13  19 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  19 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  19 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  19 3  o 6.880196  0.3628044     61.70088       6.908753  35.03069       6.743730      1.956766       0.7256089 
1 1 1 13  19 4  o 9.638232  0.4223221     96.36491       11.35760  91.41936       11.55193      0.2596311      0.8446442 
1 1 1 13  19 5  o 6.525802  0.3622541     49.43287       6.688462  36.69801       6.498034      0.9830487      0.7245083 
1 1 1 13  19 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  19 7  o 6.442465  0.3956149     44.10695       7.025108  40.05288       7.242703      0.3210773      0.7912298 
1 1 1 13  19 8  o 12.86523  0.5403213     180.6711       19.54075  157.5648       19.55304      0.9028091      1.080643  
1 1 1 13  19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  19 10 o 4.119455  0.5862331     20.51229       6.666923  15.45228       6.525485      0.6141068      1.172466  
1 1 1 13  19 11 o 12.35060  0.5317537     169.0683       18.43599  147.6320       18.48929      0.8739632      1.063507  
1 1 1 13  19 12 o 9.616987  0.4821051     91.98941       12.96168  100.8447       13.07665      -0.4594330     0.9642103 
1 1 1 13  19 13 o 9.740598  0.5032516     114.8593       13.88798  86.08851       13.48705      1.472564       1.006503  
1 1 1 13  19 14 o 3.701559  0.7234136     19.42262       7.948209  12.87609       7.951379      0.7573323      1.446827  
1 1 1 13  19 15 f 3.109769  0.6613382     -3.301189      7.997731  22.94861       8.308908      -2.405713      1.322676  
1 1 1 13  19 16 o 2.305116  0.7073526     2.798912       8.280462  3.958742       8.834023      -0.1155685     1.414705  
1 1 1 13  19 17 f 2.106713  0.6847817     2.291602       8.968883  -1.763619      9.876909      0.1272564      1.369563  
1 1 1 13  19 18 o 1.999829  0.6521794     -12.94082      9.521016  12.83388       10.75194      -1.082768      1.304359  
1 1 1 13  19 19 o 2.385280  0.7500991     18.60950       10.84057  7.018483       10.04505      0.5833509      1.500198  
1 1 1 13  21 0  o 1.505206  0.4936463     -3.905011      4.784166  -4.615975      5.265543      -0.5226098E-01 0.9872926 
1 1 1 13  21 1  f 4.672480  0.4973148     29.52278       5.669640  14.75656       6.781210      1.662326       0.9946295 
1 1 1 13  21 2  o 10.94432  0.4842436     137.8922       16.16116  107.4006       13.73245      1.364609       0.9684872 
1 1 1 13  21 3  o 10.18667  0.4903590     116.0674       12.99000  93.70954       15.10846      1.141582       0.9807180 
1 1 1 13  21 4  o 7.755836  0.4219021     71.54749       9.056499  50.73063       9.134879      1.357975       0.8438041 
1 1 1 13  21 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  21 6  o 5.741587  0.6857239     38.35562       9.079467  28.03036       14.76071      1.069160       1.371448  
1 1 1 13  21 7  o 3.385976  0.6542540     8.776082       6.785006  15.18393       6.459490      -0.8033828     1.308508  
1 1 1 13  21 8  f 13.51482  0.5869861     211.3836       22.11038  169.1993       22.37446      1.578165       1.173972  
1 1 1 13  21 9  o 10.81736  0.4941438     127.3679       14.96222  115.3802       15.09070      0.5607841      0.9882877 
1 1 1 13  21 10 o 1.899164  0.6083082     -6.753109      7.566443  -0.5158364     6.784979      -0.2427267     1.216616  
1 1 1 13  21 11 o 6.995845  0.5196042     53.97051       10.13184  50.56738       10.11421      0.2454223      1.039208  
1 1 1 13  21 12 o 2.718486  0.7376426     2.673368       8.534132  10.45202       8.008717      -0.6391578     1.475285  
1 1 1 13  21 13 o 9.041477  0.5469833     102.9548       13.97581  78.68742       13.57211      1.327175       1.093967  
1 1 1 13  21 14 o 2.376668  0.7270800     2.407974       9.279758  4.368417       8.728092      -0.8418909E-01 1.454160  
1 1 1 13  21 15 o 2.871853  0.7702867     19.75038       9.753573  2.343870       9.559053      1.335669       1.540573  
1 1 1 13  21 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  21 17 o 2.597474  0.7846825     20.20556       10.58379  5.330008       11.57313      0.8571591      1.569365  
1 1 1 13  23 0  o 9.935005  0.4652489     115.4915       12.80873  86.83022       13.01750      1.458523       0.9304979 
1 1 1 13  23 1  o 2.857028  0.6609721     7.335034       5.827675  9.449533       6.528823      -0.3005980     1.321944  
1 1 1 13  23 2  o 2.821724  0.6699477     8.023916       5.772175  7.847294       7.001823      -0.5406207E-01 1.339895  
1 1 1 13  23 3  o 6.253636  0.5047176     49.29561       8.243340  31.25471       8.915224      1.503361       1.009435  
1 1 1 13  23 4  o 3.597410  0.6336189     21.30239       6.831662  4.725785       7.637564      1.884910       1.267238  
1 1 1 13  23 5  o 3.536901  0.6741748     12.71692       6.926678  14.74389       6.892313      -0.2547518     1.348350  
1 1 1 13  23 6  o 2.410978  0.6863651     3.182117       7.156723  3.934372       7.214459      -0.7245324E-01 1.372730  
1 1 1 13  23 7  o 4.813241  0.6044544     24.16182       7.953617  26.33217       7.896582      -0.2332415     1.208909  
1 1 1 13  23 8  o 11.06844  0.6026385     121.1648       19.95893  141.7957       17.56260      -1.062683      1.205277  
1 1 1 13  23 9  o 10.53588  0.5317551     131.0276       15.41399  106.8140       15.96273      1.187863       1.063510  
1 1 1 13  23 10 o 4.308046  0.7371856     19.00429       8.914848  25.40407       8.966750      -0.6980975     1.474371  
1 1 1 13  23 11 o 2.861266  0.8124466     11.14103       10.69274  6.379683       9.527759      0.4034574      1.624893  
1 1 1 13  23 12 o 5.548277  0.7341006     28.31077       11.56869  48.90275       10.88400      -1.962916      1.468201  
1 1 1 13  23 13 o 2.387202  0.7521485     -1.737525      11.05498  7.955861       10.11918      -0.4425513     1.504297  
1 1 1 13  23 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  23 15 o 2.223802  0.7343791     2.129978       12.00446  6.116734       10.97410      -0.1253246     1.468758  
1 1 1 13  25 0  o 5.858975  0.5848130     46.90446       8.339375  25.99701       9.970819      1.937445       1.169626  
1 1 1 13  25 1  o 6.714992  0.5031204     59.12580       9.210379  36.29927       9.180534      1.735207       1.006241  
1 1 1 13  25 2  o 4.978595  0.5971477     22.04882       7.904974  31.82969       8.232002      -0.9909945     1.194295  
1 1 1 13  25 3  o 5.538555  0.5491619     33.20052       7.999489  33.23870       8.791780      0.4128106E-01  1.098324  
1 1 1 13  25 4  f 4.294242  0.7503358     26.10763       8.293884  12.96512       12.77416      1.363647       1.500672  
1 1 1 13  25 5  o 5.778213  0.5776303     36.99266       9.073189  36.61307       9.284863      0.4755357E-01  1.155261  
1 1 1 13  25 6  o 6.091528  0.5837159     30.43077       9.300873  51.80096       9.879051      -1.765632      1.167432  
1 1 1 13  25 7  o 2.234582  0.6599382     10.82546       8.999328  -11.89114      8.292203      1.423937       1.319876  
1 1 1 13  25 8  o 8.103115  0.5443032     83.77969       11.73976  62.17748       12.65536      1.432889       1.088606  
1 1 1 13  25 9  o 4.893362  0.8018200     33.71367       10.40414  29.27599       11.67962      0.5933663      1.603640  
1 1 1 13  25 10 o 4.174724  0.8554473     31.60159       11.34461  20.24188       10.36347      1.002112       1.710895  
1 1 1 13  25 11 o 3.376630  0.9052415     16.80349       13.01410  22.38628       11.42018      -0.5008843     1.810483  
1 1 1 13  25 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  27 0  o 9.104132  0.5314811     97.38937       13.34529  86.80214       13.75394      0.6191052      1.062962  
1 1 1 13  27 1  o 3.864695  0.8025112     19.27072       8.602946  19.72510       10.39040      0.6402442E-01  1.605022  
1 1 1 13  27 2  o 7.026716  0.6039687     58.13518       10.60205  55.30520       13.33922      0.4769132      1.207937  
1 1 1 13  27 3  o 3.815460  0.7508448     8.545835       8.508929  29.66871       9.889199      -2.086154      1.501690  
1 1 1 13  27 4  o 2.723367  0.8297234     10.54786       12.49967  2.986004       10.97872      0.5013224      1.659447  
1 1 1 13  27 5  o 3.699120  0.9499186     39.54481       16.54912  8.992742       11.61197      1.958778       1.899837  
1 1 1 13  27 6  o 3.132440  0.9844395     20.94499       16.26535  3.169872       21.24726      0.6105737      1.968879  
1 1 1 13  27 7  o 3.033398  0.9777228     10.77007       16.04078  20.78788       21.59196      -0.3601042     1.955446  
1 1 1 13  27 8  o 2.423763  0.8395371     -3.733363      16.91548  -6.950848      22.60250      -0.1241720     1.679074  
1 1 1 13  27 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  27 10 o 2.817327  0.9594719     18.01238       21.55902  33.84477       23.75064      -0.3041981     1.918944  
1 1 1 13  29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  29 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 13  29 5  o 2.833097  1.250619      17.01010       13.87519  ?              ?             ?              ?         
1 1 1 14  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  5  o 14.01570  1.649885      206.8955       44.56925  206.8955       44.56925      ?              ?         
1 1 1 14  0  6  o 7.119349  0.3865710     51.17682       5.466933  51.17682       5.466933      ?              ?         
1 1 1 14  0  7  o 7.095299  0.3883012     50.84670       5.472245  50.84670       5.472245      ?              ?         
1 1 1 14  0  8  o 7.225543  0.4018476     52.75257       5.765763  52.75257       5.765763      ?              ?         
1 1 1 14  0  9  o 11.06723  0.6096694     123.9123       13.40043  123.9123       13.40043      ?              ?         
1 1 1 14  0  10 o 9.336330  0.5237060     88.13536       9.708085  88.13536       9.708085      ?              ?         
1 1 1 14  0  11 o 17.94641  0.9644913     326.5459       34.38840  326.5459       34.38840      ?              ?         
1 1 1 14  0  12 o 7.422341  0.4393811     55.72793       6.469651  55.72793       6.469651      ?              ?         
1 1 1 14  0  13 o 14.29029  0.7780759     206.8264       22.08617  206.8264       22.08617      ?              ?         
1 1 1 14  0  14 o 6.857785  0.4697343     47.77166       6.372116  47.77166       6.372116      ?              ?         
1 1 1 14  0  15 o 9.224277  0.5711488     86.35102       10.44326  86.35102       10.44326      ?              ?         
1 1 1 14  0  16 o 1.434650  0.8559870     2.218522       4.334833  2.218522       4.334833      ?              ?         
1 1 1 14  0  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  18 o 4.657928  0.6288657     23.07405       5.558000  23.07405       5.558000      ?              ?         
1 1 1 14  0  19 o 10.02626  0.6546031     103.6356       12.99631  103.6356       12.99631      ?              ?         
1 1 1 14  0  20 o 1.239079  0.8284011     -1.527387      5.658248  -1.527387      5.658248      ?              ?         
1 1 1 14  0  21 o 4.965843  0.7444909     27.45179       6.904284  27.45179       6.904284      ?              ?         
1 1 1 14  0  22 f 3.733076  1.083618      18.87125       7.020511  18.87125       7.020511      ?              ?         
1 1 1 14  0  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  0  24 o 1.587281  1.032071      4.229368       7.874116  4.229368       7.874116      ?              ?         
1 1 1 14  2  0  f 9.140212  0.3487091     83.89240       8.984578  83.92155       8.978595      -0.1626985E-02 0.6974182 
1 1 1 14  2  1  o 25.06245  0.9354540     625.0294       66.05991  647.7225       66.07821      -0.4539921     1.870908  
1 1 1 14  2  2  o 17.63228  0.6613325     296.0596       32.81201  330.2321       32.86065      -0.9725467     1.322665  
1 1 1 14  2  3  o 13.88714  0.5157202     198.5331       20.19590  189.5669       20.16814      0.3236831      1.031440  
1 1 1 14  2  4  o 29.13151  1.068411      879.5145       87.74465  854.0914       87.70541      0.4373083      2.136823  
1 1 1 14  2  5  o 11.41369  0.4622869     116.3379       12.50338  149.5138       17.75184      -1.420759      0.9245739 
1 1 1 14  2  6  o 30.63597  1.646433      855.2096       140.2779  1152.236       140.8036      -4.888781      3.292866  
1 1 1 14  2  7  f 8.229087  0.4614505     55.90757       10.51528  81.09914       10.55821      -1.547797      0.9229009 
1 1 1 14  2  8  o 3.809548  0.3120575     13.58035       3.393686  15.70550       3.201294      -0.2882025     0.6241150 
1 1 1 14  2  9  o 11.18379  0.6435697     98.67216       19.79506  156.5838       19.83206      -2.621519      1.287139  
1 1 1 14  2  10 o 11.56431  0.6360112     105.3771       20.19671  167.2752       20.34739      -2.705565      1.272022  
1 1 1 14  2  11 o 21.10991  1.122735      386.6310       65.82938  533.4186       66.17561      -3.507938      2.245469  
1 1 1 14  2  12 o 18.61223  1.016361      304.1638       52.63166  407.3146       52.85845      -2.797217      2.032723  
1 1 1 14  2  13 o 16.42471  0.9186322     246.4054       42.10863  306.7662       42.24755      -1.854004      1.837264  
1 1 1 14  2  14 o 22.64151  1.304586      497.9813       82.56527  588.5269       82.69617      -2.016418      2.609171  
1 1 1 14  2  15 o 12.66121  0.6088024     178.9290       26.36956  153.4920       18.55954      0.9063491      1.217605  
1 1 1 14  2  16 o 2.901309  0.5391957     9.390088       4.531130  8.336588       4.438225      0.1653499      1.078391  
1 1 1 14  2  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  2  18 o 3.645743  0.5187916     15.72020       5.170800  12.36783       5.164769      0.4629411      1.037583  
1 1 1 14  2  19 o 5.380306  0.4185241     30.66810       6.264942  29.65839       6.261207      0.9494572E-01  0.8370483 
1 1 1 14  2  20 o 3.306582  0.6194076     13.20603       5.937229  11.73470       5.840852      0.1970267      1.238815  
1 1 1 14  2  21 o 4.449307  0.5473996     28.49545       6.671783  16.17414       6.535270      1.408265       1.094799  
1 1 1 14  2  22 o 8.810127  0.5062897     82.11054       12.41440  97.48690       12.53168      -0.8676924     1.012579  
1 1 1 14  2  23 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  2  24 o 1.560314  0.5403901     -3.372564      8.092693  -7.497987      7.996316      0.1361971      1.080780  
1 1 1 14  4  0  o 5.673005  0.2303633     31.55016       3.686623  33.04585       3.673574      -0.1323905     0.4607265 
1 1 1 14  4  1  o 13.42008  0.5074359     174.8006       19.17653  187.4724       19.19050      -0.4736772     1.014872  
1 1 1 14  4  2  o 28.13850  1.068118      770.6954       84.60615  842.7921       84.68581      -1.285326      2.136236  
1 1 1 14  4  3  o 11.63977  0.4338617     135.2686       14.24127  137.2881       14.22463      -0.8707802E-01 0.8677233 
1 1 1 14  4  4  o 14.88916  0.5320134     214.6078       22.31051  232.0318       22.33283      -0.5868690     1.064027  
1 1 1 14  4  5  o 14.92683  0.5158881     217.9943       21.70238  231.2305       21.71434      -0.4445397     1.031776  
1 1 1 14  4  6  o 20.70012  0.7731660     449.5339       45.09535  423.2105       45.09141      0.6378635      1.546332  
1 1 1 14  4  7  o 5.117033  0.2345812     24.84227       3.336254  27.79542       3.411735      -0.2893470     0.4691624 
1 1 1 14  4  8  f 12.07832  0.4650132     144.6460       15.82013  149.7608       15.82857      -0.2123506     0.9300264 
1 1 1 14  4  9  f 20.05365  0.7674192     418.8909       43.37938  400.0266       43.33587      0.4714919      1.534838  
1 1 1 14  4  10 o 42.07826  1.635185      1867.764       193.8801  1907.632       193.8283      -0.4759748     3.270369  
1 1 1 14  4  11 o 28.28222  1.046058      792.8834       83.31599  849.1952       83.39425      -0.9980873     2.092116  
1 1 1 14  4  12 o 8.905290  0.3491328     81.06472       8.753837  78.45660       8.763438      0.1469753      0.6982656 
1 1 1 14  4  13 o 22.35281  0.8565472     503.3418       53.92341  519.4380       53.96892      -0.3607222     1.713094  
1 1 1 14  4  14 o 11.85013  0.4707871     127.6769       15.58537  155.9985       15.76315      -1.199500      0.9415742 
1 1 1 14  4  15 o 4.693576  0.4245246     23.53570       4.883337  20.79023       6.433604      0.3361695      0.8490493 
1 1 1 14  4  16 o 12.78159  0.7613747     150.7783       27.23157  188.3162       27.09600      -1.487879      1.522749  
1 1 1 14  4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  4  18 o 16.13281  1.037954      269.2738       46.75883  323.2377       46.62040      -1.700385      2.075909  
1 1 1 14  4  19 o 3.346891  0.7283033     11.32570       7.935920  13.53490       7.318790      -0.2492920     1.456607  
1 1 1 14  4  20 o 7.006494  0.6205989     49.08242       12.27270  59.93978       11.69664      -0.8364987     1.241198  
1 1 1 14  4  21 o 7.105262  0.6756532     60.12667       13.61120  61.68079       12.88002      -0.1953188     1.351306  
1 1 1 14  4  22 o 3.759930  0.8409516     22.61431       10.25593  21.52449       9.788155      0.5564447E-01  1.681903  
1 1 1 14  4  23 o 3.096771  0.8527270     18.92878       11.03195  19.57499       10.50906      -0.9633846E-01 1.705454  
1 1 1 14  4  24 o 2.685781  0.8282703     21.65816       11.99737  21.17004       11.69672      -0.1804720E-02 1.656541  
1 1 1 14  6  0  o 23.06352  0.8624310     544.1994       56.05544  536.7917       56.06116      0.1610933      1.724862  
1 1 1 14  6  1  o 3.629808  0.1997692     12.03180       2.043321  14.40110       2.017096      -0.3297345     0.3995383 
1 1 1 14  6  2  o 26.09029  0.9888493     675.4855       72.65407  715.5285       72.71383      -0.7694489     1.977699  
1 1 1 14  6  3  o 20.86474  0.7808399     443.9579       45.91702  440.8604       45.91589      0.7443493E-01  1.561680  
1 1 1 14  6  4  o 22.57504  0.8273049     533.0141       52.65674  505.6046       52.60691      0.6085104      1.654610  
1 1 1 14  6  5  o 9.142600  0.3502065     84.61737       9.029560  83.60609       9.014674      0.5537637E-01  0.7004130 
1 1 1 14  6  6  o 17.08355  0.6397818     291.2670       30.77809  300.8695       30.82327      -0.2815128     1.279564  
1 1 1 14  6  7  o 15.16720  0.5595219     211.7034       23.81945  253.3346       23.91674      -1.377692      1.119044  
1 1 1 14  6  8  o 4.493732  0.2398641     18.09429       3.011212  22.47184       3.021237      -0.4913211     0.4797282 
1 1 1 14  6  9  o 22.50111  0.8543785     533.2286       54.19349  499.7886       54.11934      0.7449505      1.708757  
1 1 1 14  6  10 o 19.30066  0.7279838     379.9721       39.61588  376.0996       39.57771      0.1003348      1.455968  
1 1 1 14  6  11 o 37.08269  1.399837      1427.948       146.2712  1451.840       146.3015      -0.3227259     2.799673  
1 1 1 14  6  12 o 4.977139  0.2942584     24.56417       4.090883  25.42857       4.117291      -0.8718143E-01 0.5885168 
1 1 1 14  6  13 f 14.72399  0.5681179     211.0907       23.52513  227.8493       23.59296      -0.5705872     1.136236  
1 1 1 14  6  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  6  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  6  16 o 8.102415  0.3826011     69.34940       8.678080  63.66642       8.747548      0.3535928      0.7652023 
1 1 1 14  6  17 o 10.01208  0.4458109     97.29247       12.54958  107.5953       12.55145      -0.5171119     0.8916218 
1 1 1 14  6  18 o 10.56500  0.4694867     113.6813       13.91914  117.6089       13.99473      -0.1845706     0.9389735 
1 1 1 14  6  19 f 5.594739  0.4395487     37.03181       6.792348  28.44251       6.799141      0.7831768      0.8790973 
1 1 1 14  6  20 o 5.226258  0.4798685     30.60371       6.854269  28.78663       6.992304      0.1867564      0.9597369 
1 1 1 14  6  21 o 6.428314  0.4852857     40.02969       8.517447  52.37256       8.742247      -0.9561126     0.9705713 
1 1 1 14  6  22 f 2.363726  0.7245613     14.94797       10.68917  -3.461340      9.197134      1.094124       1.449123  
1 1 1 14  6  23 o 2.640069  0.6814436     19.21293       7.653414  2.193609       8.145165      1.449007       1.362887  
1 1 1 14  8  0  o 10.99016  0.4583884     127.1635       15.30178  117.4380       13.25765      0.4294028      0.9167768 
1 1 1 14  8  1  o 24.05757  0.9213526     591.6152       62.45599  594.0516       62.46274      -0.5072406E-01 1.842705  
1 1 1 14  8  2  o 25.08056  0.9103598     666.2346       64.35358  621.6111       64.32298      0.8921546      1.820720  
1 1 1 14  8  3  o 23.01280  0.8396025     553.8237       54.46501  528.4265       54.44321      0.5532405      1.679205  
1 1 1 14  8  4  o 21.94838  0.7857072     524.0354       48.60590  457.7302       48.50829      1.515383       1.571414  
1 1 1 14  8  5  o 12.87611  0.4956154     181.3144       17.97629  153.1760       17.91883      1.097313       0.9912308 
1 1 1 14  8  6  o 10.58694  0.4078586     112.0963       12.15406  113.8059       12.17931      -0.8081780E-01 0.8157171 
1 1 1 14  8  7  o 4.586026  0.2424787     22.03060       3.073505  20.23699       3.169926      0.1980068      0.4849573 
1 1 1 14  8  8  o 13.10817  0.4931884     174.2742       18.21955  172.3891       18.21878      0.7210726E-01  0.9863769 
1 1 1 14  8  9  o 13.20029  0.5053810     178.4559       18.82676  173.0415       18.76709      0.2053460      1.010762  
1 1 1 14  8  10 o 31.08788  1.152552      1023.385       101.0317  971.6779       100.8985      0.8328648      2.305104  
1 1 1 14  8  11 o 30.14835  1.148832      945.0045       97.61951  937.2428       97.58266      0.1287007      2.297665  
1 1 1 14  8  12 o 29.43996  1.111596      893.0317       92.20000  908.0089       92.24583      -0.2545435     2.223191  
1 1 1 14  8  13 o 15.24315  0.5896522     217.8319       25.21399  253.5231       25.35857      -1.174604      1.179304  
1 1 1 14  8  14 o 4.464372  0.4064690     16.40428       4.708765  24.40186       5.229289      -0.9050768     0.8129380 
1 1 1 14  8  15 o 8.030519  0.3823866     63.85135       8.590981  66.82230       8.675759      -0.1848117     0.7647732 
1 1 1 14  8  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  8  17 o 8.650378  0.4166667     71.71502       10.06983  81.49777       10.17258      -0.5666608     0.8333334 
1 1 1 14  8  18 o 3.384058  0.5968903     15.34050       5.799922  9.491729       5.774615      0.7949613      1.193781  
1 1 1 14  8  19 o 5.930719  0.4549272     29.36398       7.274776  45.22772       7.503789      -1.353627      0.9098544 
1 1 1 14  8  20 o 3.807368  0.6288298     20.19604       6.649713  13.74098       6.843248      0.8237479      1.257660  
1 1 1 14  8  21 o 2.117137  0.6399651     -0.6305373E-01 6.737172  6.037673       7.203878      -0.4950962     1.279930  
1 1 1 14  8  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  8  23 o 3.328078  0.7687593     15.38573       8.450458  27.74014       9.004521      -1.144779      1.537519  
1 1 1 14  10 0  o 19.70533  0.7533959     409.5558       41.82320  381.5386       41.81115      0.7132986      1.506792  
1 1 1 14  10 1  o 18.41950  0.7061847     349.1284       36.64874  341.2082       36.65410      0.2157021      1.412369  
1 1 1 14  10 2  o 8.479085  0.3434322     75.71500       8.197296  68.87888       8.195490      0.4048056      0.6868644 
1 1 1 14  10 3  o 27.97976  1.039692      849.0923       81.98060  768.9192       81.88116      1.436833       2.079385  
1 1 1 14  10 4  o 7.612599  0.3022842     61.07373       6.518397  55.41397       6.437933      0.3726322      0.6045684 
1 1 1 14  10 5  o 12.03431  0.4503585     162.1348       15.25032  129.7340       15.19271      1.352253       0.9007171 
1 1 1 14  10 6  o 8.134851  0.3150854     65.66674       7.187003  67.41491       7.256659      -0.1073440     0.6301708 
1 1 1 14  10 7  o 9.435500  0.3704844     86.25304       9.808665  92.82751       9.879984      -0.3492120     0.7409688 
1 1 1 14  10 8  o 8.780457  0.3577060     79.98715       8.846335  75.06316       8.839551      0.2814286      0.7154121 
1 1 1 14  10 9  f 20.63399  0.7604719     454.5328       44.25615  409.4905       44.13370      1.094556       1.520944  
1 1 1 14  10 10 o 8.699947  0.3615147     79.71589       8.910954  72.57320       8.791009      0.4114120      0.7230294 
1 1 1 14  10 11 o 19.76991  0.7659333     401.4193       42.67215  395.9290       42.65743      0.1391451      1.531867  
1 1 1 14  10 12 o 21.68639  0.8373305     488.6555       51.17418  478.0758       51.15201      0.2444171      1.674661  
1 1 1 14  10 13 o 11.75819  0.4745596     133.6752       15.63436  146.2636       15.78032      -0.5359839     0.9491193 
1 1 1 14  10 14 o 10.08529  0.4298578     96.21851       12.04927  109.9110       12.33317      -0.6786872     0.8597156 
1 1 1 14  10 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  10 16 o 7.136472  0.4098872     51.81334       8.126835  52.50728       8.279777      -0.4570980E-01 0.8197743 
1 1 1 14  10 17 o 2.810880  0.6346586     9.620542       5.684191  6.892301       5.800476      0.3506052      1.269317  
1 1 1 14  10 18 o 4.240287  0.5542380     14.79118       6.324291  24.06278       6.478361      -1.106940      1.108476  
1 1 1 14  10 19 o 1.948470  0.5625641     -10.78345      6.305001  8.043027       6.403805      -1.319071      1.125128  
1 1 1 14  10 20 o 3.106339  0.6941011     7.164514       6.997126  17.30458       7.398267      -1.136927      1.388202  
1 1 1 14  10 21 o 3.905521  0.7256473     20.60517       7.903159  22.58226       8.346314      -0.1628820     1.451295  
1 1 1 14  10 22 o 2.448573  0.7165244     5.521091       7.963109  14.15814       8.718474      -0.6353108     1.433049  
1 1 1 14  10 23 o 2.039488  0.6512918     14.35414       8.552813  -2.909805      9.581223      0.8093786      1.302584  
1 1 1 14  12 0  f 4.978153  0.2553506     25.06845       3.444580  24.82362       3.712225      0.2739792E-01  0.5107011 
1 1 1 14  12 1  o 4.918443  0.2460997     26.79776       3.320417  21.67737       3.462980      0.5266870      0.4921994 
1 1 1 14  12 2  o 20.56827  0.7733122     434.5692       44.83323  427.1823       44.81685      0.1799536      1.546624  
1 1 1 14  12 3  o 11.11174  0.4211123     128.5322       13.20742  120.0867       13.15606      0.3809849      0.8422245 
1 1 1 14  12 4  o 30.76617  1.149932      1052.549       99.64336  904.1721       99.45709      2.419771       2.299865  
1 1 1 14  12 5  o 17.58456  0.6984165     325.5462       37.36320  304.1356       32.32370      0.5722588      1.396833  
1 1 1 14  12 6  o 17.11813  0.6548627     310.0342       31.56690  282.7621       31.57060      0.7996412      1.309725  
1 1 1 14  12 7  f 14.66119  0.5556494     221.2527       22.93395  212.7251       22.97466      0.2919880      1.111299  
1 1 1 14  12 8  o 23.66931  0.9017373     588.2479       60.14120  556.3561       60.11712      0.6757190      1.803475  
1 1 1 14  12 9  o 7.148178  0.3239632     51.85042       6.555512  51.04742       6.475757      0.5579879E-01  0.6479264 
1 1 1 14  12 10 o 18.59261  0.7114464     361.7481       37.30136  342.0134       37.22619      0.5317873      1.422893  
1 1 1 14  12 11 o 21.67097  0.8510968     496.9861       51.97383  469.6681       51.92199      0.6318613      1.702194  
1 1 1 14  12 12 o 24.49400  0.9546931     652.6422       65.89059  598.6575       65.79961      1.104763       1.909386  
1 1 1 14  12 13 o 8.082784  0.3836709     60.13989       8.580179  72.05839       8.825175      -0.7389336     0.7673419 
1 1 1 14  12 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  12 15 o 8.837697  0.4220325     73.18869       10.36254  86.29462       10.57418      -0.7421234     0.8440651 
1 1 1 14  12 16 o 4.238885  0.5471719     22.24303       6.179046  15.49655       6.502834      0.8279623      1.094344  
1 1 1 14  12 17 o 2.868522  0.6623142     6.869728       6.130154  10.82258       6.368739      -0.4948071     1.324628  
1 1 1 14  12 18 o 6.151880  0.4744983     39.87712       7.975964  41.64330       8.274854      -0.1277348     0.9489967 
1 1 1 14  12 19 o 2.267389  0.6657884     4.060143       6.973779  3.473864       7.078092      0.3917286E-01  1.331577  
1 1 1 14  12 20 o 3.723811  0.7038164     12.90628       7.772901  24.54182       7.981019      -1.311814      1.407633  
1 1 1 14  12 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  12 22 o 2.348236  0.7082454     1.791250       8.744716  20.37849       9.793945      -1.097596      1.416491  
1 1 1 14  14 0  o 6.463531  0.3502631     46.14555       5.333715  36.30459       7.657604      0.7995422      0.7005262 
1 1 1 14  14 1  o 11.59968  0.4692475     146.3826       15.25392  124.4187       15.35404      0.9523027      0.9384950 
1 1 1 14  14 2  o 30.15644  1.157721      966.0746       98.39069  911.9622       98.30660      0.8993776      2.315442  
1 1 1 14  14 3  f 7.649404  0.3147576     68.36410       6.801585  49.52177       6.661187      1.237992       0.6295152 
1 1 1 14  14 4  f 15.92688  0.6516147     277.8542       31.51243  238.2837       27.18919      1.214200       1.303229  
1 1 1 14  14 5  o 35.98442  1.372726      1419.655       139.1560  1285.386       139.0286      1.871424       2.745451  
1 1 1 14  14 6  o 14.88047  0.5664032     237.2160       23.71042  209.6998       23.74248      0.9286550      1.132806  
1 1 1 14  14 7  o 22.60044  0.8526819     539.4509       54.27671  503.6887       54.29964      0.7941019      1.705364  
1 1 1 14  14 8  o 20.71061  0.7919505     455.1762       46.20670  420.2938       46.18399      0.8449838      1.583901  
1 1 1 14  14 9  o 10.72680  0.4316378     120.8065       13.08598  111.3758       12.98422      0.4404751      0.8632756 
1 1 1 14  14 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  14 11 f 14.91763  0.5880330     230.5374       24.73018  223.3122       24.69082      0.2424934      1.176066  
1 1 1 14  14 12 o 3.683620  0.5237393     12.50241       5.170524  15.89488       5.359727      -0.4591342     1.047479  
1 1 1 14  14 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  14 14 o 8.278001  0.4249196     61.04585       9.693079  79.13093       9.981859      -1.095477      0.8498392 
1 1 1 14  14 15 o 4.103053  0.5748405     14.82014       6.200177  21.34644       6.663715      -0.7839234     1.149681  
1 1 1 14  14 16 o 6.809931  0.4497589     41.04114       8.307814  56.07409       8.701079      -1.103099      0.8995177 
1 1 1 14  14 17 o 2.697296  0.6941441     6.109533       6.691872  9.112462       7.106449      -0.3409365     1.388288  
1 1 1 14  14 18 o 7.206462  0.5070032     49.27309       10.00556  65.75095       10.23956      -1.142699      1.014006  
1 1 1 14  14 19 o 6.959309  0.5450414     62.08997       10.39311  51.32654       10.61369      0.8149616      1.090083  
1 1 1 14  14 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  14 21 o 2.134247  0.6654340     14.69228       8.889840  -5.394323      9.420394      1.007984       1.330868  
1 1 1 14  16 0  o 13.97323  0.5457840     211.6180       21.45151  182.2590       21.45759      1.055462       1.091568  
1 1 1 14  16 1  o 26.89349  1.006928      766.1799       76.30325  719.0629       76.28501      0.8787140      2.013857  
1 1 1 14  16 2  o 7.729911  0.3348244     65.89024       7.291611  54.20071       7.241736      0.7602347      0.6696487 
1 1 1 14  16 3  o 11.30844  0.4796428     144.4230       16.43492  114.9568       14.16322      1.290703       0.9592856 
1 1 1 14  16 4  o 16.68684  0.6452125     303.9718       30.31895  260.0049       30.25409      1.322950       1.290425  
1 1 1 14  16 5  o 8.760731  0.3780836     82.02513       9.303435  72.41480       9.324032      0.5514999      0.7561672 
1 1 1 14  16 6  o 24.32439  0.9540448     658.1612       70.38211  568.4589       60.92740      1.733646       1.908090  
1 1 1 14  16 7  o 2.576068  0.5002105     3.597822       4.340445  9.077368       3.721764      -0.8275076     1.000421  
1 1 1 14  16 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  16 9  o 6.629572  0.4043858     41.82211       8.353785  46.48472       6.861658      -0.3775497     0.8087716 
1 1 1 14  16 10 o 4.321736  0.4617291     18.04786       5.496515  20.42342       5.426313      -0.2836371     0.9234582 
1 1 1 14  16 11 o 6.053581  0.4068896     37.46240       6.874012  37.31134       6.892254      0.1292842E-01  0.8137791 
1 1 1 14  16 12 o 4.120469  0.5591708     14.11466       6.283958  21.28862       6.301387      -0.8835961     1.118342  
1 1 1 14  16 13 o 1.931757  0.5933128     -1.489533      5.944322  0.3870060      6.146518      -0.1766592     1.186626  
1 1 1 14  16 14 o 7.513163  0.4425613     52.66772       9.268229  64.08186       9.314825      -0.7660370     0.8851225 
1 1 1 14  16 15 o 5.591850  0.5142540     26.84339       7.593662  39.84992       8.108922      -1.166605      1.028508  
1 1 1 14  16 16 o 2.972472  0.7045603     6.714022       6.829472  13.53295       7.476598      -0.7766098     1.409121  
1 1 1 14  16 17 o 3.626873  0.7260929     18.29370       7.715714  14.81093       7.966705      0.4225287      1.452186  
1 1 1 14  16 18 o 2.875175  0.7347702     4.278864       8.002262  17.84059       8.662030      -1.238096      1.469540  
1 1 1 14  16 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  16 20 o 2.414131  0.7477847     6.596524       9.605618  14.70265       10.19684      -0.4595198     1.495569  
1 1 1 14  16 21 o 2.503567  0.7762610     12.31966       10.42877  25.29520       11.25893      -0.6363511     1.552522  
1 1 1 14  18 0  o 4.837512  0.3628365     29.63964       4.688371  17.73767       4.841251      1.261012       0.7256730 
1 1 1 14  18 1  o 7.845027  0.3837042     62.87975       7.843555  61.09653       9.250584      0.1273989      0.7674085 
1 1 1 14  18 2  o 5.514749  0.4053229     41.33180       5.390356  20.68945       6.280678      1.932926       0.8106458 
1 1 1 14  18 3  o 20.56516  0.7787909     489.6833       45.02093  377.1518       44.78426      2.747190       1.557582  
1 1 1 14  18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  18 5  o 22.66533  0.8651605     587.4208       55.15750  473.8799       54.98296      2.514703       1.730321  
1 1 1 14  18 6  o 16.71019  0.6615013     306.0141       31.12881  264.4810       31.05972      1.247702       1.323003  
1 1 1 14  18 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  18 8  o 11.37361  0.4893411     138.4175       15.64718  124.5484       15.66107      0.6128709      0.9786821 
1 1 1 14  18 9  o 14.71329  0.5949737     237.9695       24.62889  206.3754       24.61451      1.078635       1.189947  
1 1 1 14  18 10 f 11.52029  1.484110      146.8669       33.40118  ?              ?             ?              ?         
1 1 1 14  18 11 o 5.686389  0.4653259     31.25756       7.371688  35.50625       7.295384      -0.3822311     0.9306518 
1 1 1 14  18 12 o 3.631572  0.6651846     14.33303       6.942182  14.70819       6.834810      -0.4912362E-01 1.330369  
1 1 1 14  18 13 o 5.981617  0.5152506     34.30426       8.435146  41.37753       8.581301      -0.5964915     1.030501  
1 1 1 14  18 14 o 2.602980  0.6950790     2.615855       7.338931  9.339890       7.146973      -0.6285812     1.390158  
1 1 1 14  18 15 o 6.804383  0.5187096     55.78366       9.835043  45.44262       9.735117      0.7657799      1.037419  
1 1 1 14  18 16 o 2.770271  0.6566375     -5.148715      7.741607  19.17278       8.045375      -2.079258      1.313275  
1 1 1 14  18 17 o 3.644871  0.7513662     10.43284       8.640574  27.45082       9.191313      -1.706278      1.502732  
1 1 1 14  18 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  18 19 o 2.630373  0.7963907     12.71860       10.14212  17.11895       11.02647      -0.2242364     1.592781  
1 1 1 14  20 0  o 10.82187  0.4677253     138.6588       14.04291  99.15987       14.18449      1.839523       0.9354506 
1 1 1 14  20 1  o 2.462407  0.7345267     0.1586298      11.11421  1.569571       7.139043      0.4075556      1.469053  
1 1 1 14  20 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  20 3  o 11.03378  0.6095895     143.6031       20.57712  107.9897       17.25131      1.571074       1.219179  
1 1 1 14  20 4  o 25.46413  0.9872315     782.5471       70.51996  592.1009       70.22649      3.753498       1.974463  
1 1 1 14  20 5  o 11.11466  0.4656627     137.4288       14.53955  113.4770       14.53302      1.083524       0.9313253 
1 1 1 14  20 6  o 3.947119  0.5410518     18.98065       5.751767  13.25329       5.942574      0.7407047      1.082104  
1 1 1 14  20 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  20 8  f 19.34209  0.7793599     428.8937       42.36517  363.7838       42.38350      1.692294       1.558720  
1 1 1 14  20 9  o 13.36348  0.5673472     189.4305       21.22762  182.1976       21.45883      0.2776756      1.134694  
1 1 1 14  20 10 o 16.11546  0.6802073     299.3132       30.77835  255.6716       30.83165      1.363512       1.360415  
1 1 1 14  20 11 o 5.539531  0.5372022     35.56752       8.490889  30.06316       7.884929      0.4782038      1.074404  
1 1 1 14  20 12 o 3.528962  0.6861903     22.51415       8.020576  4.897668       7.763079      1.919363       1.372381  
1 1 1 14  20 13 o 3.020993  0.7491680     6.842090       8.400822  13.23263       7.895200      -0.6220773     1.498336  
1 1 1 14  20 14 o 5.666291  0.6313170     27.90259       9.856249  46.11760       9.464682      -1.701309      1.262634  
1 1 1 14  20 15 o 2.826207  0.7775064     11.53807       8.880426  8.571725       9.070837      0.2460934      1.555013  
1 1 1 14  20 16 o 2.121665  0.6843729     5.938490       9.408780  -4.599307      9.407508      0.5133072      1.368746  
1 1 1 14  20 17 o 2.927796  0.8971847     12.14547       14.69925  26.09030       13.90346      -0.7108188     1.794369  
1 1 1 14  20 18 o 2.523281  0.7859049     18.62394       10.60528  10.02580       12.12717      0.5017791      1.571810  
1 1 1 14  22 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  22 2  o 5.003001  0.4911377     31.57956       6.876401  20.15645       6.471776      1.163140       0.9822754 
1 1 1 14  22 3  o 11.76749  0.5426170     170.2045       17.60343  115.8050       17.83517      2.335301       1.085234  
1 1 1 14  22 4  o 6.720301  0.4606322     54.29095       8.561473  38.32203       8.556643      1.207901       0.9212644 
1 1 1 14  22 5  o 8.045686  0.4468319     77.07092       10.00662  55.73740       9.999419      1.340233       0.8936639 
1 1 1 14  22 6  o 7.732685  0.4639381     66.15027       10.08803  57.21922       9.979443      0.5800673      0.9278761 
1 1 1 14  22 7  o 7.578191  0.4525300     59.95219       9.333107  59.05444       9.909901      0.7660437E-01  0.9050601 
1 1 1 14  22 8  o 9.766123  0.5362142     103.6617       15.62105  98.11099       13.91197      0.2226108      1.072428  
1 1 1 14  22 9  o 2.746276  0.6787727     -4.408854      7.985475  15.13612       7.842180      -1.685399      1.357545  
1 1 1 14  22 10 o 7.187544  0.5119861     60.75711       10.13842  49.54520       10.31729      0.8018734      1.023972  
1 1 1 14  22 11 f 3.754243  0.7354113     27.77763       9.495461  5.905333       8.684940      2.191159       1.470823  
1 1 1 14  22 12 o 5.292402  0.7014397     31.05445       10.29757  36.41006       9.951252      -0.5529542     1.402879  
1 1 1 14  22 13 o 1.852358  0.6292484     -4.111931      10.14186  -12.40314      9.258575      0.3818338      1.258497  
1 1 1 14  22 14 o 2.548059  0.7418059     -4.137767      10.45830  15.81506       9.553661      -1.180642      1.483612  
1 1 1 14  22 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  22 16 o 2.357669  0.7604690     8.839674       11.57329  9.013077       10.92467      -0.6575664E-02 1.520938  
1 1 1 14  24 0  o 5.616683  0.5686871     41.41986       7.970439  24.45168       9.286858      1.626682       1.137374  
1 1 1 14  24 1  o 3.036345  0.7076201     11.20386       6.790742  7.856617       7.529384      0.3493444      1.415240  
1 1 1 14  24 2  o 5.642443  0.5532631     34.34126       8.084868  33.46606       9.209714      0.1307204      1.106526  
1 1 1 14  24 3  o 2.493520  0.7257032     3.862735       7.306487  2.351780       9.465160      -0.1137931     1.451406  
1 1 1 14  24 4  o 2.689370  0.7873513     1.803446       7.659706  8.836254       13.49218      -0.9840510     1.574703  
1 1 1 14  24 5  o 5.868652  0.5713527     47.13539       9.183341  27.01893       8.857351      1.750810       1.142705  
1 1 1 14  24 6  o 8.403473  0.5049083     78.69368       11.54663  71.12114       12.23246      0.4874239      1.009817  
1 1 1 14  24 7  f 7.006083  0.5849531     46.91912       12.02029  59.48983       10.66126      -1.010294      1.169906  
1 1 1 14  24 8  o 4.276288  0.7872505     19.21194       9.673833  25.62107       9.702704      -0.6758274     1.574501  
1 1 1 14  24 9  o 6.166283  0.6386290     43.62231       10.34563  45.01558       11.34270      -0.1983345E-01 1.277258  
1 1 1 14  24 10 o 2.661201  0.7721832     5.835981       9.739901  8.009091       8.955115      -0.1199969     1.544366  
1 1 1 14  24 11 o 6.076241  0.7431842     61.85402       12.79341  34.41108       11.61419      2.136341       1.486368  
1 1 1 14  24 12 o 2.716620  0.8155766     28.98811       15.27817  -4.979342      10.66621      1.773223       1.631153  
1 1 1 14  24 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  26 0  o 4.148676  0.7205948     19.07703       8.141921  22.10073       8.660256      -0.3087158     1.441190  
1 1 1 14  26 1  o 2.532163  0.7306833     5.875958       8.070930  3.641476       8.534049      0.1379270      1.461367  
1 1 1 14  26 2  o 7.307507  0.5705118     45.33295       10.80130  73.59961       12.02810      -1.884629      1.141024  
1 1 1 14  26 3  o 4.390410  0.7677530     27.15025       9.636397  20.11611       9.443654      0.7335410      1.535506  
1 1 1 14  26 4  o 6.828640  0.6619046     65.81156       11.32806  40.72049       12.93078      2.054045       1.323809  
1 1 1 14  26 5  o 5.868651  0.6640838     46.56886       10.25987  33.57483       10.99501      1.221529       1.328168  
1 1 1 14  26 6  o 4.203774  0.7713577     29.31505       9.473724  15.90674       9.940260      1.423030       1.542715  
1 1 1 14  26 7  o 4.894508  0.7433283     36.52058       9.853209  24.52117       10.54659      1.288594       1.486657  
1 1 1 14  26 8  o 2.746840  0.8064735     6.550913       9.863121  12.29311       10.91412      -0.4116303     1.612947  
1 1 1 14  26 9  o 2.533876  0.8118916     9.756028       13.95353  2.792604       11.35853      0.3982801      1.623783  
1 1 1 14  26 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  26 11 o 2.708669  1.317837      ?              ?         18.16525       22.78151      ?              ?         
1 1 1 14  28 0  o 3.087337  1.295405      ?              ?         14.34964       13.49886      ?              ?         
1 1 1 14  28 1  o 2.377489  1.139601      ?              ?         -4.816139      15.54493      ?              ?         
1 1 1 14  28 2  o 2.127461  0.7519735     -9.579862      17.78443  -50.35573      21.08382      0.4117610      1.503947  
1 1 1 14  28 3  f 2.607716  0.9103675     -31.91001      32.72873  0.8300213      20.35036      -0.1196030     1.820735  
1 1 1 14  28 4  o 3.103338  1.014285      9.436353       19.01786  32.94549       23.43818      -0.6866766     2.028570  
1 1 1 14  28 5  o 2.516110  0.8848622     -11.27785      18.82242  12.17427       31.39022      -0.6044748     1.769724  
1 1 1 14  28 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  28 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 14  28 8  o 2.352441  0.8269987     15.08585       19.39331  -22.93692      26.93102      0.4225969      1.653997  
1 1 1 15  1  0  o 7.993653  0.6245365     64.45323       9.905427  ?              ?             ?              ?         
1 1 1 15  1  1  f 12.56113  0.9743906     159.7435       24.28753  ?              ?             ?              ?         
1 1 1 15  1  2  o 9.845647  0.5313900     85.48914       14.58888  109.7730       14.65271      -1.244575      1.062780  
1 1 1 15  1  3  o 17.49648  0.9538532     293.4109       46.77579  330.1906       46.79539      -1.058962      1.907706  
1 1 1 15  1  4  o 4.750343  0.3091859     18.53588       4.088290  26.87868       4.033146      -0.8927429     0.6183718 
1 1 1 15  1  5  o 10.57002  0.5572494     97.59761       16.43018  128.1385       16.47115      -1.458026      1.114499  
1 1 1 15  1  6  o 13.53931  0.7090539     154.7431       26.63887  218.5611       26.78231      -2.378711      1.418108  
1 1 1 15  1  7  o 2.107867  0.3875494     4.544582       2.257700  4.718873       2.412400      -0.4088352E-01 0.7750989 
1 1 1 15  1  8  o 3.361885  0.3702330     4.856807       3.245378  19.48776       3.146393      -2.198889      0.7404659 
1 1 1 15  1  9  o 8.614331  0.4958465     67.84113       12.00681  81.94146       11.88470      -0.8279361     0.9916931 
1 1 1 15  1  10 o 10.82910  0.5289242     108.5117       17.93929  125.9917       14.62909      -0.8432804     1.057848  
1 1 1 15  1  11 o 9.557029  0.3780515     82.86558       10.14555  100.7053       10.15883      -0.9380431     0.7561030 
1 1 1 15  1  12 o 6.957852  0.3056700     47.74064       5.978908  49.64595       5.990958      -0.1373965     0.6113400 
1 1 1 15  1  13 o 21.02345  0.7993211     443.6171       47.34269  458.5300       47.35830      -0.3556204     1.598642  
1 1 1 15  1  14 o 17.16864  0.6659874     290.8935       32.18743  309.2799       32.22499      -0.5369534     1.331975  
1 1 1 15  1  15 o 5.814810  0.3463595     31.99258       5.612516  36.34660       5.659294      -0.3771359     0.6927190 
1 1 1 15  1  16 o 15.84966  0.6203939     258.6256       27.70382  257.0138       27.70293      0.5099417E-01  1.240788  
1 1 1 15  1  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  1  18 o 7.580576  0.3960005     56.51837       8.419003  61.16735       8.432796      -0.3082819     0.7920010 
1 1 1 15  1  19 o 8.472532  0.4159112     69.11841       9.865786  79.50381       9.914524      -0.6153992     0.8318223 
1 1 1 15  1  20 o 7.346293  0.4191625     62.49762       8.618371  51.06521       8.597333      0.7848936      0.8383250 
1 1 1 15  1  21 o 7.213154  0.4335940     52.65593       8.688024  60.23180       8.808312      -0.5213122     0.8671880 
1 1 1 15  1  22 o 1.897492  0.5922382     -1.884669      6.314899  3.780025       6.431382      -0.4051546     1.184476  
1 1 1 15  1  23 o 1.855163  0.6012567     3.084348       7.220331  -1.879581      7.208668      0.2743794      1.202513  
1 1 1 15  1  24 o 1.810405  0.5837840     11.16752       7.835639  -8.438374      7.826937      0.9163890      1.167568  
1 1 1 15  3  0  o 26.72381  1.013302      735.3993       76.31406  718.5345       76.30114      0.3164032      2.026603  
1 1 1 15  3  1  o 13.82367  0.5186541     181.5160       20.17750  202.8335       20.20071      -0.7739351     1.037308  
1 1 1 15  3  2  o 16.89556  0.6402039     282.2130       30.45989  293.9533       30.49530      -0.3483334     1.280408  
1 1 1 15  3  3  o 8.165856  0.3189492     62.87662       7.345649  70.93050       7.315933      -0.4954664     0.6378983 
1 1 1 15  3  4  o 16.72447  0.6334349     287.8068       29.85731  277.8913       29.84505      0.2972689      1.266870  
1 1 1 15  3  5  o 26.14497  0.9344621     711.9127       68.89549  687.7836       68.84608      0.4622637      1.868924  
1 1 1 15  3  6  o 1.700181  0.3099668     4.379757       1.641623  1.483816       1.528693      0.7427155      0.6199335 
1 1 1 15  3  7  o 17.56199  0.6459929     295.0538       31.91614  330.2349       31.98320      -1.004849      1.291986  
1 1 1 15  3  8  f 17.53849  0.6644533     312.8845       32.83656  311.8347       32.84486      0.3008349E-01  1.328907  
1 1 1 15  3  9  o 31.65760  1.203286      1044.977       107.3484  1040.245       107.3465      0.7493243E-01  2.406573  
1 1 1 15  3  10 o 24.57323  1.084492      559.1657       63.49213  705.1608       89.94459      -2.691037      2.168984  
1 1 1 15  3  11 o 15.53201  0.8543241     206.2972       36.85711  286.0586       36.99952      -2.593922      1.708648  
1 1 1 15  3  12 o 18.25360  0.9808444     280.5844       49.56073  404.8808       49.87249      -3.437261      1.961689  
1 1 1 15  3  13 o 17.21239  0.9372096     258.3327       44.82156  351.5012       45.06688      -2.731546      1.874419  
1 1 1 15  3  14 o 17.32641  0.9709206     263.2506       46.71803  360.1055       46.93083      -2.822663      1.941841  
1 1 1 15  3  15 o 8.545800  0.5457334     59.44819       12.95498  89.43534       12.75937      -1.784977      1.091467  
1 1 1 15  3  16 o 10.22752  0.6138971     99.65234       17.76396  115.1392       17.36436      -0.7722957     1.227794  
1 1 1 15  3  17 o 15.25743  0.9156941     230.8120       39.13752  270.6002       38.97496      -1.322598      1.831388  
1 1 1 15  3  18 o 2.902753  0.6813554     1.814777       7.791621  12.80084       6.654404      -1.066459      1.362711  
1 1 1 15  3  19 o 8.320168  0.5958570     67.21844       14.09807  81.07563       13.48206      -0.8767748     1.191714  
1 1 1 15  3  20 o 6.466038  0.5018928     53.82093       11.11755  39.66783       7.588685      0.8742322      1.003786  
1 1 1 15  3  21 o 3.204076  0.6527074     14.22131       6.300096  11.07414       6.245669      0.4065498      1.305415  
1 1 1 15  3  22 o 3.963864  0.6485401     20.47055       7.076773  20.74769       7.177692      -0.1889626E-01 1.297080  
1 1 1 15  3  23 o 2.036412  0.6331580     6.712869       7.218788  1.058772       7.140659      0.3804074      1.266316  
1 1 1 15  3  24 o 1.463970  0.5125015     -11.89773      7.880646  -3.024836      7.998312      -0.2544243     1.025003  
1 1 1 15  5  0  o 23.80191  0.8983539     571.5193       60.24922  581.5699       60.26676      -0.2116281     1.796708  
1 1 1 15  5  1  o 26.66717  1.010594      702.8819       75.89861  750.0406       75.94088      -0.8868805     2.021188  
1 1 1 15  5  2  o 8.521825  0.3352468     73.46389       8.013496  72.54835       8.084140      0.5429574E-01  0.6704937 
1 1 1 15  5  3  o 7.268596  0.2892497     55.41202       5.958762  50.72462       5.879783      0.3231658      0.5784993 
1 1 1 15  5  4  o 15.29768  0.5689983     241.6776       24.53584  231.2700       24.52170      0.3411106      1.137997  
1 1 1 15  5  5  o 7.941726  0.3091241     63.53577       6.923330  63.32184       6.910548      0.1342676E-01  0.6182482 
1 1 1 15  5  6  o 3.386129  0.2237227     11.14714       2.160029  11.96507       2.075998      -0.1234814     0.4474454 
1 1 1 15  5  7  o 17.00964  0.6262581     279.0465       29.96983  307.2289       30.04136      -0.8308076     1.252516  
1 1 1 15  5  8  o 2.426026  0.3122245     6.500732       2.028260  5.585035       2.101084      0.1949330      0.6244490 
1 1 1 15  5  9  o 22.23940  0.8551698     503.9321       53.59170  505.8065       53.58791      -0.4229866E-01 1.710340  
1 1 1 15  5  10 f 28.38166  1.075298      841.5079       86.03625  815.8809       85.95737      0.4520880      2.150597  
1 1 1 15  5  11 o 23.48805  0.8784265     557.8231       58.16140  567.8770       58.13501      -0.2148570     1.756853  
1 1 1 15  5  12 o 35.09221  1.323746      1254.965       130.8133  1325.101       130.9433      -1.000871      2.647493  
1 1 1 15  5  13 o 12.18466  0.4606445     138.8022       15.76333  160.5801       15.82722      -0.8970028     0.9212890 
1 1 1 15  5  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  5  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  5  16 o 2.060191  0.5610840     4.978766       4.728321  0.1726570      4.874053      0.5230606      1.122168  
1 1 1 15  5  17 o 14.91558  0.6026423     226.9669       25.28613  235.3422       25.34377      -0.2803994     1.205285  
1 1 1 15  5  18 o 2.364683  0.5987070     6.861302       5.111537  3.173809       5.254976      0.4403563      1.197414  
1 1 1 15  5  19 o 7.063596  0.4101582     45.48535       8.007978  58.35491       8.162576      -0.9146742     0.8203163 
1 1 1 15  5  20 o 3.582476  0.6694369     10.60062       6.087967  20.88720       7.978546      -1.175795      1.338874  
1 1 1 15  5  21 o 2.518967  0.6999981     -4.631790      8.918652  14.07952       8.362174      -1.303914      1.399996  
1 1 1 15  5  22 o 4.690449  1.679571      ?              ?         54.76559       19.97621      ?              ?         
1 1 1 15  5  23 o 2.254692  0.7269777     7.000880       10.48210  6.669157       10.03748      0.2228720E-01  1.453955  
1 1 1 15  7  0  o 23.90428  0.9060427     581.2960       61.02503  587.6131       61.04358      -0.1323555     1.812085  
1 1 1 15  7  1  f 26.21385  0.9778757     672.2513       72.16911  736.9282       72.23294      -1.237511      1.955751  
1 1 1 15  7  2  o 12.56217  0.4746751     159.1402       16.79661  159.2103       16.81242      -0.2696107E-02 0.9493502 
1 1 1 15  7  3  o 26.33281  1.005117      702.3416       74.55536  726.5175       74.59601      -0.4600313     2.010233  
1 1 1 15  7  4  o 22.25816  0.8156348     521.3739       51.18011  490.3780       51.13453      0.6980401      1.631270  
1 1 1 15  7  5  o 20.54306  0.8230571     446.9488       44.53054  411.8189       51.37537      0.9295946      1.646114  
1 1 1 15  7  6  f 28.33150  1.031124      817.6357       82.30215  841.3348       82.38387      -0.4184687     2.062248  
1 1 1 15  7  7  o 14.27847  0.5758167     201.3930       24.97925  210.0792       21.67856      -0.3311149     1.151633  
1 1 1 15  7  8  o 2.134496  0.3501518     6.456632       2.136925  2.718854       2.190415      0.8127580      0.7003036 
1 1 1 15  7  9  o 20.98038  0.8049073     446.1777       47.59053  449.7868       47.57977      -0.8635617E-01 1.609815  
1 1 1 15  7  10 o 37.21418  1.415869      1470.723       148.5548  1431.265       148.3870      0.5297442      2.831738  
1 1 1 15  7  11 o 24.38571  0.9221635     601.3170       63.37289  616.0124       63.36616      -0.3022760     1.844327  
1 1 1 15  7  12 o 26.01454  0.9932243     697.6066       72.81422  698.5585       72.80690      -0.1843169E-01 1.986449  
1 1 1 15  7  13 f 2.624088  0.4854055     4.420247       3.650293  9.708874       3.876404      -0.8906465     0.9708109 
1 1 1 15  7  14 o 7.568155  0.3609606     50.04346       7.539392  65.66364       7.750377      -1.037279      0.7219212 
1 1 1 15  7  15 o 18.07033  0.7099201     322.9970       36.05502  351.0933       36.18806      -0.7781777     1.419840  
1 1 1 15  7  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  7  17 o 5.553937  0.4206000     28.93067       6.388875  34.57015       6.585589      -0.5097388     0.8412000 
1 1 1 15  7  18 o 6.901747  0.4119695     48.05770       7.899759  50.65701       8.031429      -0.1855557     0.8239389 
1 1 1 15  7  19 o 6.976331  0.4179270     52.84823       8.139729  49.36943       8.190443      0.2536413      0.8358539 
1 1 1 15  7  20 o 2.186707  0.6223540     6.015786       6.034610  1.155238       6.067577      0.4527730      1.244708  
1 1 1 15  7  21 o 2.339112  0.6568197     3.189863       6.477852  8.403538       6.776497      -0.4996388     1.313639  
1 1 1 15  7  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  7  23 o 2.439164  0.7060356     7.308900       7.785431  14.66597       8.123452      -0.5640831     1.412071  
1 1 1 15  9  0  o 21.68706  0.8819374     480.7043       50.37213  484.7152       58.21483      -0.1060136E-01 1.763875  
1 1 1 15  9  1  o 18.25436  0.7044464     341.8932       36.22738  336.0523       36.23740      0.1605628      1.408893  
1 1 1 15  9  2  o 26.95431  1.028608      744.2244       78.11346  757.7063       78.13882      -0.2505437     2.057216  
1 1 1 15  9  3  o 44.54311  1.652729      2189.095       207.5135  2107.387       207.4109      0.9180970      3.305457  
1 1 1 15  9  4  o 11.53551  0.4654922     134.7332       14.15913  133.8114       16.31862      0.5607753E-01  0.9309843 
1 1 1 15  9  5  o 6.070459  0.2479915     42.12209       4.254999  31.97825       4.181047      0.8396960      0.4959830 
1 1 1 15  9  6  o 12.71549  0.4771624     165.3187       17.09272  160.8268       17.10403      0.1772308      0.9543248 
1 1 1 15  9  7  o 17.81928  0.6592902     304.2369       33.02964  338.5086       33.14298      -0.9643988     1.318580  
1 1 1 15  9  8  o 5.391213  0.2658483     27.25605       3.970438  31.20151       4.076818      -0.3671896     0.5316966 
1 1 1 15  9  9  o 28.00997  1.051039      819.3755       82.99290  792.7642       82.92865      0.4758550      2.102078  
1 1 1 15  9  10 f 6.046638  0.2945295     35.51913       5.046459  38.01075       4.963405      -0.2079068     0.5890591 
1 1 1 15  9  11 o 6.640243  0.3169437     38.73306       5.931834  49.87578       5.847749      -0.8465586     0.6338874 
1 1 1 15  9  12 o 13.39348  0.5393648     175.7517       20.33189  187.5315       20.34951      -0.4412668     1.078730  
1 1 1 15  9  13 o 10.79037  0.4457642     115.3057       13.51444  120.2682       13.57192      -0.2302473     0.8915284 
1 1 1 15  9  14 o 5.504505  0.7437453     31.29842       10.07240  33.47987       12.74811      -0.1319722     1.487491  
1 1 1 15  9  15 f 8.172800  0.7137916     75.30217       14.23828  61.57850       18.79571      0.9952961      1.427583  
1 1 1 15  9  16 o 17.48070  0.6960856     309.7908       34.20835  332.6189       34.31610      -0.6525523     1.392171  
1 1 1 15  9  17 o 6.192651  0.4288153     33.88977       7.195739  45.41463       7.545395      -0.9330534     0.8576306 
1 1 1 15  9  18 f 3.453789  0.5811189     6.036773       5.946693  19.89320       6.107349      -1.775748      1.162238  
1 1 1 15  9  19 o 2.695237  0.6484318     4.627871       6.025932  11.18894       6.244649      -0.7815176     1.296864  
1 1 1 15  9  20 o 2.460237  0.6660597     7.432241       6.456208  5.492988       6.548839      0.1921902      1.332119  
1 1 1 15  9  21 o 2.188704  0.6575542     2.592056       6.945060  6.012918       7.349011      -0.2854082     1.315108  
1 1 1 15  9  22 o 2.368857  0.6768867     14.45084       7.746914  0.8651682      7.963238      1.018541       1.353773  
1 1 1 15  9  23 o 2.316587  0.6994762     5.435378       8.422709  17.31116       8.763925      -0.7620067     1.398952  
1 1 1 15  11 0  o 13.57469  0.5061076     188.1652       19.31782  183.9891       19.40725      0.1548927      1.012215  
1 1 1 15  11 1  o 9.825937  0.3808512     95.63311       10.51402  98.80360       10.57232      -0.1614567     0.7617025 
1 1 1 15  11 2  o 10.99473  0.4247211     117.2059       13.10563  126.3328       13.19819      -0.4159047     0.8494422 
1 1 1 15  11 3  o 23.73580  0.9450926     564.9017       68.22096  588.5870       59.11299      -0.5946538     1.890185  
1 1 1 15  11 4  o 15.96749  0.6034716     273.5898       27.15712  241.8163       27.09711      0.9985592      1.206943  
1 1 1 15  11 5  o 31.05742  1.149215      1054.575       108.5303  949.6668       93.85021      1.533533       2.298431  
1 1 1 15  11 6  o 9.495900  0.3800297     100.6660       10.14745  80.65826       10.11405      1.058982       0.7600594 
1 1 1 15  11 7  o 6.723764  0.2987520     41.13786       5.591882  49.70064       5.687657      -0.6398047     0.5975040 
1 1 1 15  11 8  o 41.49061  1.741445      1855.444       219.6707  1839.550       190.3453      -0.2471233     3.482889  
1 1 1 15  11 9  o 17.37770  0.6532350     311.3271       32.00549  300.6889       31.97153      0.3067610      1.306470  
1 1 1 15  11 10 o 17.23250  0.6436620     312.7247       31.29455  289.5461       31.19896      0.6740320      1.287324  
1 1 1 15  11 11 o 21.69612  0.8318211     492.5778       50.87506  474.0685       50.81969      0.4272714      1.663642  
1 1 1 15  11 12 o 11.14254  0.4410842     112.5179       13.78770  138.3086       13.82196      -1.163025      0.8821684 
1 1 1 15  11 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  11 14 o 4.982026  0.4357273     18.03328       5.628532  33.19098       6.069442      -1.550994      0.8714547 
1 1 1 15  11 15 o 4.633324  0.4692848     26.42717       5.734201  17.42517       6.096944      1.017141       0.9385695 
1 1 1 15  11 16 o 5.886469  0.4352263     36.67693       6.948115  34.96735       7.341651      0.1589913      0.8704526 
1 1 1 15  11 17 o 5.455359  0.4721617     27.40265       6.963819  35.18093       7.228762      -0.7162172     0.9443234 
1 1 1 15  11 18 o 2.104032  0.6221036     1.656344       6.081441  2.407334       6.314734      -0.9323559E-01 1.244207  
1 1 1 15  11 19 o 2.459397  0.6712987     7.461678       6.582535  4.529589       6.766724      0.2768150      1.342597  
1 1 1 15  11 20 o 4.603415  0.6254086     28.30896       7.733769  24.16986       7.980327      0.4909734      1.250817  
1 1 1 15  11 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  11 22 o 1.589532  0.5511314     -6.688950      8.277012  -6.499835      8.591820      -0.3111109E-01 1.102263  
1 1 1 15  13 0  f 13.30465  0.5216812     189.7885       19.50018  167.0195       19.56574      0.8599457      1.043362  
1 1 1 15  13 1  o 12.68169  0.4924540     176.9862       17.54731  146.9820       17.56207      1.188915       0.9849080 
1 1 1 15  13 2  o 21.44812  0.7885244     486.1742       47.66626  448.8068       47.62877      0.8737737      1.577049  
1 1 1 15  13 3  o 18.06936  0.7233113     332.6297       39.75714  330.5326       34.44357      0.1833494E-01  1.446623  
1 1 1 15  13 4  o 29.17866  1.090399      947.9131       89.59383  802.5200       89.40144      2.500649       2.180799  
1 1 1 15  13 5  o 1.451669  0.4230098     0.7288592E-01  2.904557  1.048507       2.735602      -0.8970942E-01 0.8460195 
1 1 1 15  13 6  o 16.32943  0.6161125     283.0956       28.32748  255.7318       28.33682      0.8411441      1.232225  
1 1 1 15  13 7  o 23.39492  0.8859829     562.7558       58.36842  556.1880       58.45466      0.1415529      1.771966  
1 1 1 15  13 8  o 11.76159  0.4664665     144.6673       15.44501  134.2956       15.45256      0.4426492      0.9329331 
1 1 1 15  13 9  o 4.163004  0.3468173     19.20619       4.020660  15.92091       3.964181      0.4008728      0.6936345 
1 1 1 15  13 10 o 30.90592  1.857603      1145.332       160.9502  1018.015       160.2771      2.061316       3.715206  
1 1 1 15  13 11 f 9.435877  0.4051871     93.60903       10.78622  86.28531       10.72804      0.3892187      0.8103743 
1 1 1 15  13 12 o 13.22160  0.5549709     186.4265       20.67723  170.0168       20.61603      0.6224985      1.109942  
1 1 1 15  13 13 o 9.852501  0.4488983     100.7891       12.38275  96.81448       12.49988      0.2043358      0.8977965 
1 1 1 15  13 14 o 12.48069  0.5272831     164.2164       18.48988  156.3854       18.55912      0.3163705      1.054566  
1 1 1 15  13 15 f 2.727890  0.6212901     11.05475       5.625755  2.955468       6.096143      0.9528922      1.242580  
1 1 1 15  13 16 o 3.429303  0.6343957     9.461674       6.102335  16.54895       6.558273      -0.9145278     1.268791  
1 1 1 15  13 17 o 2.622482  0.6670411     5.177674       6.016383  9.106320       6.755105      -0.4831230     1.334082  
1 1 1 15  13 18 o 4.079783  0.6453611     20.47487       7.106022  18.99478       7.447278      0.2074235      1.290722  
1 1 1 15  13 19 o 2.548910  0.7062289     5.492349       7.340646  9.430403       7.615686      -0.3662040     1.412458  
1 1 1 15  13 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  13 21 o 2.551053  0.7188991     18.69592       8.658100  3.102720       8.958469      1.138499       1.437798  
1 1 1 15  13 22 o 1.832690  0.6220472     5.784776       9.202435  -1.779795      9.700925      0.2493065      1.244094  
1 1 1 15  15 0  o 31.44964  1.329774      1161.323       108.5373  891.7658       125.0400      4.518416       2.659548  
1 1 1 15  15 1  f 48.99839  2.162585      2842.622       277.3842  2454.276       319.9202      4.782289       4.325169  
1 1 1 15  15 2  o 17.72520  0.6622922     325.1238       33.09450  311.1906       33.06556      0.3940367      1.324584  
1 1 1 15  15 3  o 6.970212  0.3338396     47.08800       6.978267  50.35410       6.175482      -0.2423427     0.6676791 
1 1 1 15  15 4  o 33.49851  1.292645      1260.609       121.9281  1079.998       121.6774      2.705145       2.585290  
1 1 1 15  15 5  o 12.78901  0.4833108     180.3125       17.39869  149.3618       17.35579      1.215415       0.9666216 
1 1 1 15  15 6  o 25.26845  1.005471      679.3645       77.26220  643.2996       66.93614      0.5957847      2.010943  
1 1 1 15  15 7  o 22.33823  0.8717744     553.6943       54.79599  470.2834       54.73412      1.875217       1.743549  
1 1 1 15  15 8  o 7.515252  0.3497249     56.84097       7.323551  57.11900       7.463464      -0.1731139E-01 0.6994497 
1 1 1 15  15 9  o 11.52971  0.4646661     142.0603       15.10793  126.7874       15.04499      0.6646191      0.9293322 
1 1 1 15  15 10 o 7.432957  0.5859973     59.30562       12.14626  54.30207       12.05422      0.3397399      1.171995  
1 1 1 15  15 11 o 4.520184  0.4560336     16.46429       5.616456  25.19700       5.581105      -0.9986075     0.9120671 
1 1 1 15  15 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  15 13 o 6.194603  0.4366724     35.77146       7.515656  42.88760       7.539388      -0.5818335     0.8733448 
1 1 1 15  15 14 o 9.528926  0.4643382     95.96822       12.44214  91.87805       12.42960      0.2153844      0.9286764 
1 1 1 15  15 15 o 6.240693  0.4626029     43.76558       8.002316  37.77816       8.051903      0.4888158      0.9252059 
1 1 1 15  15 16 o 3.898030  0.6385773     19.56253       6.714623  14.55550       7.301476      0.6474322      1.277155  
1 1 1 15  15 17 o 2.887352  0.7080539     10.74977       6.745027  8.519817       7.542819      0.2308527      1.416108  
1 1 1 15  15 18 o 3.717994  0.7040957     20.17956       7.343304  15.40482       8.092088      0.6319708      1.408191  
1 1 1 15  15 19 o 3.851587  1.156696      50.23576       22.66081  37.98048       21.45226      0.4283425      2.313392  
1 1 1 15  15 20 o 2.178204  0.6982236     5.520156       9.010163  4.593393       9.604849      0.3007337E-01  1.396447  
1 1 1 15  15 21 o 2.232656  0.7196259     9.017404       9.835114  12.55635       10.26905      -0.1607072     1.439252  
1 1 1 15  17 0  o 17.12866  0.6672823     313.1469       32.16420  282.4007       32.19191      0.9014215      1.334565  
1 1 1 15  17 1  o 12.26458  0.4738799     158.3658       16.29816  144.9990       16.43642      0.5481032      0.9477599 
1 1 1 15  17 2  o 3.107508  0.4554869     9.845725       3.734910  10.33008       4.023292      -0.7217148E-01 0.9109738 
1 1 1 15  17 3  o 18.28564  0.7465180     361.2031       41.46812  324.6828       35.87382      0.9434137      1.493036  
1 1 1 15  17 4  o 19.34901  0.7636886     412.6466       41.59480  352.1618       41.51854      1.569676       1.527377  
1 1 1 15  17 5  o 8.966222  0.3970213     107.5830       9.781989  57.54940       9.593138      2.809417       0.7940426 
1 1 1 15  17 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  17 7  o 13.58552  0.5496342     192.0873       20.96100  183.1136       21.09468      0.3329615      1.099268  
1 1 1 15  17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  17 9  o 6.152388  0.4045461     45.19838       7.016106  31.77676       6.778139      1.102342       0.8090922 
1 1 1 15  17 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  17 11 o 2.893883  0.6433859     9.725800       5.854744  7.470446       5.950246      0.2886584      1.286772  
1 1 1 15  17 12 o 4.051232  0.5714697     22.40111       6.594546  12.51065       6.093061      1.209983       1.142939  
1 1 1 15  17 13 o 7.142767  0.4591554     52.44072       9.248234  53.79364       9.101785      -0.1003508     0.9183109 
1 1 1 15  17 14 o 9.217317  0.4786913     94.52792       12.29982  84.08521       12.45839      0.5770799      0.9573826 
1 1 1 15  17 15 o 3.421822  0.7064700     16.40801       7.328221  10.89683       7.437131      0.6558844      1.412940  
1 1 1 15  17 16 o 1.728223  0.5708339     0.6480149      7.352782  -13.62972      7.650600      0.6051509      1.141668  
1 1 1 15  17 17 o 2.732646  0.7372672     7.646596       7.683017  11.25442       8.245082      -0.3403274     1.474534  
1 1 1 15  17 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  17 19 o 3.112245  0.7579852     26.64832       9.168501  7.143644       10.03817      1.678228       1.515970  
1 1 1 15  17 20 o 2.148544  0.6955107     -2.010469      10.05300  20.78385       11.15584      -0.9590992     1.391021  
1 1 1 15  19 0  o 12.35371  0.5093665     163.7449       17.65717  145.4307       17.74961      0.7457626      1.018733  
1 1 1 15  19 1  o 10.35163  0.4370320     120.6598       12.67217  95.87981       12.70601      1.204595       0.8740640 
1 1 1 15  19 2  o 14.30064  0.6004354     247.5802       23.80695  170.5051       23.96419      2.714903       1.200871  
1 1 1 15  19 3  o 13.88431  0.5953449     213.0171       25.04662  182.1463       21.67776      1.073105       1.190690  
1 1 1 15  19 4  o 24.01802  1.128528      619.2324       76.23853  613.1918       76.21903      0.1259018      2.257056  
1 1 1 15  19 5  o 5.747730  0.7501031     32.44743       9.555726  41.15798       16.78957      -0.5682936     1.500206  
1 1 1 15  19 6  o 6.917224  0.3942904     54.42979       7.573591  42.39362       7.653205      0.8807682      0.7885807 
1 1 1 15  19 7  f 9.255772  0.4336106     88.51810       11.26645  85.73781       11.30655      0.1514674      0.8672211 
1 1 1 15  19 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  19 9  f 3.988476  0.6057500     17.01781       6.757840  17.09387       6.510153      -0.1668553E-01 1.211500  
1 1 1 15  19 10 o 5.332629  0.5320001     32.27290       7.974397  27.49955       7.600835      0.4439063      1.064000  
1 1 1 15  19 11 o 7.407820  0.4554369     62.07345       9.413698  51.52518       9.429208      0.7204195      0.9108738 
1 1 1 15  19 12 o 2.723329  0.7079204     8.532172       7.472341  5.769672       6.920510      0.3224968      1.415841  
1 1 1 15  19 13 o 8.274563  0.4875612     76.45548       11.32532  69.38403       11.26839      0.4280753      0.9751224 
1 1 1 15  19 14 o 4.731145  0.6508964     37.65363       8.841110  14.90774       8.246812      2.330642       1.301793  
1 1 1 15  19 15 o 6.820831  0.5584084     62.43002       10.67843  43.88310       10.23128      1.345686       1.116817  
1 1 1 15  19 16 f 5.024099  0.7112091     27.54383       9.716668  38.43573       9.852612      -1.070681      1.422418  
1 1 1 15  19 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  19 18 o 1.734003  0.5988808     -14.65582      9.806565  1.726395       10.19741      -0.4958495     1.197762  
1 1 1 15  21 0  o 16.83513  0.6806841     304.4121       32.19228  281.6816       32.32996      0.6803771      1.361368  
1 1 1 15  21 1  o 8.693626  0.4234835     84.91268       10.28516  68.41568       10.34477      0.9571251      0.8469670 
1 1 1 15  21 2  o 2.957783  0.6749562     12.02299       6.157650  2.310372       8.163207      0.8837256      1.349912  
1 1 1 15  21 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  21 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  21 5  o 1.547719  0.5315816     -8.660339      6.534516  -18.05313      8.467475      0.1338074E-01  1.063163  
1 1 1 15  21 6  o 9.741678  0.4625560     97.95314       12.60696  96.77682       12.73601      0.6326330E-01  0.9251121 
1 1 1 15  21 7  o 4.340217  0.5839820     23.18469       6.705814  16.25408       7.220011      0.8302729      1.167964  
1 1 1 15  21 8  o 3.356872  0.7296477     10.49817       7.247869  14.20346       8.024631      -0.4430745     1.459295  
1 1 1 15  21 9  o 14.14230  0.6157173     233.5042       24.46529  192.6991       24.41531      1.449562       1.231435  
1 1 1 15  21 10 o 2.917835  0.6657804     16.49935       7.383367  -1.565261      7.611053      1.750925       1.331561  
1 1 1 15  21 11 o 8.103280  0.5096961     75.27708       11.68189  65.48843       11.40149      0.5953097      1.019392  
1 1 1 15  21 12 o 1.867794  0.6189880     -7.032782      8.283843  -4.593206      8.193472      -0.9859440E-01 1.237976  
1 1 1 15  21 13 o 5.456892  0.6751107     48.18337       10.19843  23.49571       9.725606      2.255881       1.350221  
1 1 1 15  21 14 o 2.553639  0.7600113     8.079618       9.848836  5.336341       8.886516      0.2305129      1.520023  
1 1 1 15  21 15 o 4.596529  0.8142055     26.87736       11.39336  36.25992       10.39803      -1.098804      1.628411  
1 1 1 15  21 16 o 2.279265  0.7923162     7.007244       13.78135  -75.92245      38.69712      0.2667598      1.584632  
1 1 1 15  23 0  o 7.522015  0.5171218     71.45619       9.735210  45.23396       11.39401      1.832974       1.034244  
1 1 1 15  23 1  o 4.510166  0.6034907     23.44778       7.283424  19.99561       7.567799      0.4006539      1.206981  
1 1 1 15  23 2  o 3.717341  0.6704684     10.70732       7.218241  19.03288       7.258515      -1.008876      1.340937  
1 1 1 15  23 3  o 6.651096  0.5479954     52.41560       10.35187  40.57367       9.782667      0.8860631      1.095991  
1 1 1 15  23 4  o 3.536326  0.6447817     23.42312       7.670160  2.566964       7.374658      2.296592       1.289563  
1 1 1 15  23 5  o 2.779466  0.7301460     4.579693       7.703914  9.390149       7.821492      -0.4737535     1.460292  
1 1 1 15  23 6  o 3.794857  0.6962499     15.12012       7.162823  17.55369       7.950945      -0.2695328     1.392500  
1 1 1 15  23 7  o 3.630852  0.6880583     5.533355       7.644194  23.84978       8.299303      -2.009164      1.376117  
1 1 1 15  23 8  o 3.814704  0.6803691     29.70641       8.979895  2.891223       8.354492      2.710763       1.360738  
1 1 1 15  23 9  o 5.430707  0.6671824     40.26446       9.532638  26.22910       10.27982      1.389532       1.334365  
1 1 1 15  23 10 o 2.693111  0.7683414     7.123537       9.035679  6.420903       9.012586      0.5609731E-01  1.536683  
1 1 1 15  23 11 o 2.241120  0.7086219     2.671012       9.894471  -0.9577258     8.625367      0.3139855      1.417244  
1 1 1 15  23 12 o 2.735987  0.7964106     -4.259465      13.01186  15.87060       10.02462      -1.022522      1.592821  
1 1 1 15  23 13 o 3.352391  0.8436165     9.224586       11.58835  27.07306       10.85847      -1.430063      1.687233  
1 1 1 15  23 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  25 0  o 4.034741  0.6900275     23.63067       7.956987  13.03150       8.072530      1.219310       1.380055  
1 1 1 15  25 1  o 4.018007  0.6821109     27.19509       8.108746  8.448888       8.704707      2.033819       1.364222  
1 1 1 15  25 2  o 6.016312  0.6103777     47.58501       9.421435  30.82117       10.51932      1.516873       1.220755  
1 1 1 15  25 3  o 3.036067  0.8441721     12.90479       12.44586  6.155191       9.306091      0.6697389      1.688344  
1 1 1 15  25 4  o 2.883559  0.7672669     13.65617       8.536053  -0.8744709     10.49918      1.000047       1.534534  
1 1 1 15  25 5  o 3.127116  0.7862681     5.623925       8.963030  16.55650       9.375844      -1.011628      1.572536  
1 1 1 15  25 6  o 6.074152  0.6911398     38.46402       10.26854  50.12600       12.99588      -0.7122777     1.382280  
1 1 1 15  25 7  o 2.639494  0.7484041     14.24162       9.673981  -3.668361      9.571712      1.233367       1.496808  
1 1 1 15  25 8  o 9.073315  0.5861704     100.3200       14.49417  89.99844       15.23913      0.6503047      1.172341  
1 1 1 15  25 9  o 2.386621  0.7312109     -11.53606      10.82695  13.71287       10.77368      -1.243837      1.462422  
1 1 1 15  25 10 o 3.804344  0.8887750     26.38083       10.85390  20.50910       11.90674      0.6300315      1.777550  
1 1 1 15  25 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  25 12 o 2.305025  0.7767278     -1.231736      16.47686  6.308643       12.48182      -0.1150495     1.553456  
1 1 1 15  27 0  o 1.878840  0.6337957     -8.047006      8.978591  -7.055834      9.776340      -0.1253629     1.267591  
1 1 1 15  27 1  o 2.596948  0.7784306     8.904497       9.890602  2.052841       10.28896      0.4130880      1.556861  
1 1 1 15  27 2  o 2.633384  0.7924488     5.042857       9.303309  7.829890       11.57870      -0.2895282     1.584898  
1 1 1 15  27 3  o 2.656361  0.7668977     1.654943       8.535065  14.93741       10.84619      -1.038860      1.533795  
1 1 1 15  27 4  f 2.801209  0.8057508     16.79291       9.960704  -10.09583      15.23316      1.142152       1.611502  
1 1 1 15  27 5  o 3.747357  1.066240      36.38989       18.70268  20.97284       16.46712      0.7431548      2.132480  
1 1 1 15  27 6  o 2.517913  0.8597428     -19.83564      17.80557  17.83472       21.61008      -0.9839946     1.719486  
1 1 1 15  27 7  o 2.404585  0.8415669     -16.17895      17.95159  7.073557       24.74214      -0.6142069     1.683134  
1 1 1 15  27 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  27 9  f 2.952583  1.426137      ?              ?         32.79375       25.45690      ?              ?         
1 1 1 15  29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 15  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  6  o 17.86499  0.9544713     323.9315       33.87946  323.9315       33.87946      ?              ?         
1 1 1 16  0  7  o 14.54104  0.7731133     214.1507       22.33767  214.1507       22.33767      ?              ?         
1 1 1 16  0  8  o 0.6643498 0.4516616     -1.025301      1.822098  -1.025301      1.822098      ?              ?         
1 1 1 16  0  9  o 19.70441  1.065639      394.4398       41.71306  394.4398       41.71306      ?              ?         
1 1 1 16  0  10 o 1.316754  0.6851879     2.529012       2.347089  2.529012       2.347089      ?              ?         
1 1 1 16  0  11 o 0.6668418 0.4704436     -3.005787      2.506603  -3.005787      2.506603      ?              ?         
1 1 1 16  0  12 o 34.41692  1.856613      1219.858       126.9425  1219.858       126.9425      ?              ?         
1 1 1 16  0  13 f 42.74854  2.345799      1918.364       199.1689  1918.364       199.1689      ?              ?         
1 1 1 16  0  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  0  15 o 15.88362  0.8900774     257.0727       28.07071  257.0727       28.07071      ?              ?         
1 1 1 16  0  16 f 1.528306  0.8947918     2.805777       4.579817  2.805777       4.579817      ?              ?         
1 1 1 16  0  17 o 6.593064  0.5557513     44.68755       7.203896  44.68755       7.203896      ?              ?         
1 1 1 16  0  18 o 12.02890  0.7230302     148.8321       17.24916  148.8321       17.24916      ?              ?         
1 1 1 16  0  19 o 1.485913  0.9110650     2.119735       5.197274  2.119735       5.197274      ?              ?         
1 1 1 16  0  20 f 7.368164  0.5905200     56.74910       8.569544  56.74910       8.569544      ?              ?         
1 1 1 16  0  21 o 2.217748  1.091937      8.210724       5.781015  8.210724       5.781015      ?              ?         
1 1 1 16  0  22 o 8.065127  0.6498389     70.88129       10.32058  70.88129       10.32058      ?              ?         
1 1 1 16  0  23 o 1.424119  0.9413880     1.294756       6.967646  1.294756       6.967646      ?              ?         
1 1 1 16  0  24 o 2.371633  1.248873      13.66901       7.866851  13.66901       7.866851      ?              ?         
1 1 1 16  2  0  o 2.116421  0.2701583     4.778558       1.593441  4.472502       1.523102      0.7114444E-01  0.5403166 
1 1 1 16  2  1  o 15.91834  0.6037387     243.6007       27.05085  267.2525       27.08120      -0.7455188     1.207477  
1 1 1 16  2  2  o 26.21562  0.9926471     677.4221       73.27847  724.8235       73.33643      -0.9067246     1.985294  
1 1 1 16  2  3  o 11.30372  0.4277682     132.4868       13.64209  124.6262       13.60275      0.3486296      0.8555363 
1 1 1 16  2  4  o 20.44948  0.7574908     423.9038       43.65338  425.9342       43.66714      -0.4967955E-01 1.514982  
1 1 1 16  2  5  o 16.30479  0.6800979     248.4933       26.54299  299.0674       37.61077      -1.455296      1.360196  
1 1 1 16  2  6  o 7.667989  0.4387535     47.06414       9.277911  72.06661       9.310553      -1.650038      0.8775069 
1 1 1 16  2  7  o 15.08883  0.8036731     185.0031       33.44717  282.4172       33.62764      -3.260459      1.607346  
1 1 1 16  2  8  o 2.655793  0.3825269     4.460619       2.818736  9.936835       2.843808      -1.017829      0.7650539 
1 1 1 16  2  9  o 20.60663  1.137998      413.9661       65.73482  465.9532       65.71103      -1.271683      2.275997  
1 1 1 16  2  10 o 18.77880  1.030022      327.1475       54.12675  397.0645       54.13255      -1.878651      2.060045  
1 1 1 16  2  11 o 13.36051  0.7412090     148.3130       27.43056  215.0480       27.52863      -2.524742      1.482418  
1 1 1 16  2  12 o 14.06077  0.7763761     161.9958       30.13451  241.9955       30.32718      -2.875017      1.552752  
1 1 1 16  2  13 o 26.62630  1.475706      661.8222       109.4476  853.1481       109.8969      -3.621833      2.951412  
1 1 1 16  2  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  2  15 o 18.94349  0.8781882     389.0383       57.28528  366.5264       40.52491      0.2928824      1.756376  
1 1 1 16  2  16 o 11.20107  0.4680320     125.7394       14.75443  129.6825       14.76640      -0.1764999     0.9360640 
1 1 1 16  2  17 o 5.786657  0.3985074     33.82805       6.434995  34.75338       6.443714      -0.8057747E-01 0.7970147 
1 1 1 16  2  18 o 10.40864  0.4612448     108.5002       13.47556  115.4113       13.53664      -0.3318533     0.9224896 
1 1 1 16  2  19 o 3.128262  0.5976257     9.187862       5.456341  12.40816       5.447628      -0.4534808     1.195251  
1 1 1 16  2  20 o 8.086227  0.4348533     69.90356       9.875958  69.35992       9.866022      0.3328481E-01  0.8697067 
1 1 1 16  2  21 o 2.836043  0.6123428     14.91045       5.949291  3.757487       5.938842      1.357453       1.224686  
1 1 1 16  2  22 o 1.869943  0.5912755     -1.052921      6.424597  2.401351       6.490414      -0.2343555     1.182551  
1 1 1 16  2  23 o 1.484977  0.5084802     -12.96402      6.899236  -0.1811026     7.009828      -0.4806678     1.016960  
1 1 1 16  2  24 o 3.256258  0.7475425     16.66264       8.224313  27.79622       8.382689      -1.115038      1.495085  
1 1 1 16  4  0  o 9.492257  0.3671557     90.80310       9.825235  90.42203       9.814551      0.2007619E-01  0.7343113 
1 1 1 16  4  1  o 25.16898  0.9468891     625.8188       67.11608  666.9541       67.16814      -0.8194934     1.893778  
1 1 1 16  4  2  o 30.32700  1.176491      906.0441       100.4190  991.9863       100.5123      -1.421493      2.352981  
1 1 1 16  4  3  o 17.06888  0.6393273     283.3346       30.73222  306.0859       30.74989      -0.6686437     1.278655  
1 1 1 16  4  4  o 9.052034  0.3445363     75.43037       8.762308  89.19991       8.782134      -0.7639232     0.6890727 
1 1 1 16  4  5  o 7.121878  0.2870826     48.92372       5.749668  52.99817       5.762398      -0.2870937     0.5741652 
1 1 1 16  4  6  o 12.42915  0.4622954     156.1681       16.19830  155.5779       16.19128      0.2376392E-01  0.9245908 
1 1 1 16  4  7  o 8.188330  0.3076648     62.41504       7.073019  72.25722       7.106810      -0.6033008     0.6153296 
1 1 1 16  4  8  o 14.68425  0.5573444     206.9160       23.01745  228.6854       23.07619      -0.7436483     1.114689  
1 1 1 16  4  9  o 15.49577  0.5932752     239.3384       25.89265  246.2937       25.91419      -0.2249723     1.186550  
1 1 1 16  4  10 o 12.80648  0.4939370     164.0561       17.83316  166.7047       17.81343      -0.1038466     0.9878739 
1 1 1 16  4  11 o 26.34778  0.9999306     728.4186       74.26747  695.2908       74.19205      0.6299770      1.999861  
1 1 1 16  4  12 o 22.34386  0.8505476     498.4756       53.54104  521.5963       53.54815      -0.5189747     1.701095  
1 1 1 16  4  13 o 9.522766  0.3896097     91.55492       10.43700  91.31115       10.46122      0.1302684E-01  0.7792194 
1 1 1 16  4  14 o 8.666649  0.3778972     77.96794       9.179321  73.58607       9.252337      0.2545828      0.7557944 
1 1 1 16  4  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  4  16 o 6.874100  0.7629699     31.65327       18.03714  63.97475       11.24488      -2.568053      1.525940  
1 1 1 16  4  17 o 2.325634  0.6500849     -4.862132      7.536295  7.709455       6.668695      -0.9162815     1.300170  
1 1 1 16  4  18 o 9.195130  0.6337709     85.39769       16.63901  94.77797       15.89375      -0.5467577     1.267542  
1 1 1 16  4  19 o 5.144034  0.6384388     24.76194       9.569380  32.96338       8.495560      -0.8880863     1.276878  
1 1 1 16  4  20 o 3.733967  0.7444779     23.24942       9.064862  11.56643       7.795048      1.242096       1.488956  
1 1 1 16  4  21 o 3.680943  0.7617503     26.19817       9.482162  11.17348       8.243965      1.500341       1.523501  
1 1 1 16  4  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  4  23 o 2.341876  0.7369723     15.32533       10.66339  3.623561       9.606221      0.6208513      1.473945  
1 1 1 16  6  0  o 6.828793  0.2730623     46.01480       5.250811  47.69715       5.253181      -0.1235856     0.5461245 
1 1 1 16  6  1  o 17.26422  0.6184914     304.1584       30.10246  299.1160       30.10165      0.1464155      1.236983  
1 1 1 16  6  2  o 13.75615  0.5548524     180.2751       20.03264  204.1022       23.18822      -0.8446499     1.109705  
1 1 1 16  6  3  o 16.17250  0.6178876     258.5935       28.14627  271.3060       28.15985      -0.3941982     1.235775  
1 1 1 16  6  4  o 7.494452  0.2942863     55.94285       6.240456  56.99844       6.186734      -0.7101534E-01 0.5885727 
1 1 1 16  6  5  f 10.43480  0.3802314     111.7254       11.18384  107.4860       11.18177      0.2037073      0.7604628 
1 1 1 16  6  6  o 24.05880  0.8722580     588.9120       59.14274  597.2935       59.17029      -0.1743792     1.744516  
1 1 1 16  6  7  o 27.26474  1.013674      736.0684       77.78558  795.0305       77.93214      -1.083403      2.027347  
1 1 1 16  6  8  f 17.70407  0.6621602     299.6125       32.96524  335.0442       33.05593      -1.003850      1.324320  
1 1 1 16  6  9  o 22.99304  0.8745297     534.9267       56.65709  543.8892       56.66967      -0.1953706     1.749059  
1 1 1 16  6  10 o 26.84578  1.016987      746.0599       76.96548  732.8449       76.90815      0.2463319      2.033974  
1 1 1 16  6  11 o 49.69484  2.018062      2730.475       282.5334  2717.740       282.3893      0.1259433      4.036124  
1 1 1 16  6  12 o 15.00427  0.5780923     222.9519       24.43694  232.8660       24.43593      -0.3314621     1.156185  
1 1 1 16  6  13 o 13.75319  0.5403069     191.8524       20.93349  191.6075       20.93700      0.8963766E-02  1.080614  
1 1 1 16  6  14 o 18.20043  0.6914424     325.5355       35.40071  352.7930       35.49044      -0.7503476     1.382885  
1 1 1 16  6  15 o 3.498409  0.4937101     8.905612       4.579476  16.51298       4.899693      -1.084856      0.9874201 
1 1 1 16  6  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  6  17 o 8.094480  0.4108323     60.38700       9.256982  73.64729       9.377948      -0.8227766     0.8216646 
1 1 1 16  6  18 f 8.103951  0.4153021     59.74709       9.302217  76.01973       9.532470      -1.005139      0.8306043 
1 1 1 16  6  19 o 1.989365  0.5860972     2.465926       5.458528  0.8929647      5.511589      0.1373532      1.172194  
1 1 1 16  6  20 o 1.955071  0.5891814     3.350972       5.795979  -0.8269261     5.869245      0.3350770      1.178363  
1 1 1 16  6  21 o 4.649796  0.5625930     19.29623       6.999704  31.81971       7.174277      -1.362766      1.125186  
1 1 1 16  6  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  6  23 o 1.641762  0.5520700     4.368869       7.550642  -10.33745      7.599968      0.5847504      1.104140  
1 1 1 16  8  0  o 2.687233  0.2801785     8.667991       2.036359  5.916119       2.060601      0.5295460      0.5603569 
1 1 1 16  8  1  o 12.43113  0.4771495     150.4813       16.68506  161.3170       16.72965      -0.4370325     0.9542990 
1 1 1 16  8  2  o 9.773732  0.3855173     97.90699       10.58823  94.50162       10.63969      0.1751523      0.7710347 
1 1 1 16  8  3  o 13.73574  0.5245339     193.2684       20.30739  188.1623       20.29542      0.1863490      1.049068  
1 1 1 16  8  4  o 12.66756  0.4815719     167.4303       17.20407  156.4074       17.16475      0.4362870      0.9631437 
1 1 1 16  8  5  o 12.38778  0.4688870     160.3227       16.37213  149.1449       16.35212      0.4525843      0.9377741 
1 1 1 16  8  6  o 12.69573  0.4683877     159.7554       16.75530  165.2873       16.76335      -0.2184463     0.9367754 
1 1 1 16  8  7  o 9.170012  0.3637301     85.23550       9.380585  84.00232       9.411366      0.6765094E-01  0.7274602 
1 1 1 16  8  8  o 7.861846  0.3215254     59.17487       7.053638  65.07946       7.175825      -0.3762420     0.6430508 
1 1 1 16  8  9  o 16.87542  0.6310607     282.3027       29.99496  293.7815       30.02427      -0.3409401     1.262121  
1 1 1 16  8  10 o 24.55809  0.9384404     631.3608       64.96807  603.4229       64.89251      0.5699536      1.876881  
1 1 1 16  8  11 o 14.97892  0.5731871     230.8613       24.21975  223.2020       24.16233      0.2560337      1.146374  
1 1 1 16  8  12 o 14.37179  0.5591313     210.4923       22.66188  208.2097       22.61932      0.7929153E-01  1.118263  
1 1 1 16  8  13 o 9.589667  0.4065486     87.57464       10.94290  98.04116       10.98953      -0.5478838     0.8130972 
1 1 1 16  8  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  8  15 o 4.423433  0.4517305     16.26172       5.275570  23.96676       5.598820      -0.8871711     0.9034609 
1 1 1 16  8  16 o 12.73237  0.5248823     162.1542       18.75998  171.8114       18.86969      -0.3784085     1.049765  
1 1 1 16  8  17 o 12.41099  0.5298324     149.7639       18.42081  171.3984       18.55447      -0.8720671     1.059665  
1 1 1 16  8  18 o 9.744601  0.4549762     93.87918       12.40231  104.8172       12.51294      -0.5602082     0.9099524 
1 1 1 16  8  19 o 3.160049  0.6402133     9.524881       6.024170  13.56215       6.126049      -0.5305867     1.280427  
1 1 1 16  8  20 o 1.731806  0.5552953     -6.479933      6.125541  2.058720       6.305464      -0.5446922     1.110591  
1 1 1 16  8  21 o 2.979688  0.6946468     9.412434       6.820987  15.18590       7.034492      -0.6533061     1.389294  
1 1 1 16  8  22 o 2.966365  0.7183352     8.877218       7.553249  20.02174       7.896587      -1.107525      1.436670  
1 1 1 16  8  23 o 1.950916  0.6356379     3.004552       8.063692  6.457829       8.228387      -0.1781900     1.271276  
1 1 1 16  10 0  o 13.18827  0.5346442     174.5100       18.53890  177.8032       21.50909      -0.1023235     1.069288  
1 1 1 16  10 1  o 18.03437  0.6951311     332.6507       35.31451  328.6744       35.33201      0.1107253      1.390262  
1 1 1 16  10 2  o 15.96022  0.6109765     252.4557       27.45093  263.6660       27.49566      -0.3519695     1.221953  
1 1 1 16  10 3  o 25.32098  1.004652      615.3076       77.11296  697.7527       66.88277      -1.752851      2.009305  
1 1 1 16  10 4  o 23.09508  0.8642982     568.3359       56.25644  521.1365       56.19334      1.024930       1.728596  
1 1 1 16  10 5  o 18.12310  0.7106644     352.3638       39.16579  317.5525       33.83892      0.9201900      1.421329  
1 1 1 16  10 6  o 31.43112  1.209612      1096.445       107.0528  949.4479       106.8932      2.347118       2.419224  
1 1 1 16  10 7  o 32.17698  1.186497      1010.334       107.3885  1128.758       107.6408      -1.844555      2.372994  
1 1 1 16  10 8  o 14.53740  0.5423789     203.8856       22.16285  222.4126       22.25712      -0.6388642     1.084758  
1 1 1 16  10 9  o 14.93897  0.5619299     228.0620       23.65049  222.9403       23.66359      0.1720123      1.123860  
1 1 1 16  10 10 o 9.950510  0.3982425     97.63798       11.19073  101.8164       11.13091      -0.2111167     0.7964850 
1 1 1 16  10 11 o 5.195002  0.3271429     22.73325       4.752889  31.61483       4.677552      -0.8682214     0.6542857 
1 1 1 16  10 12 o 18.14379  0.9309602     395.7654       38.59053  280.2469       54.43944      3.486842       1.861920  
1 1 1 16  10 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  10 14 o 6.983387  0.3799709     44.61855       7.282711  54.32309       7.577219      -0.6960238     0.7599419 
1 1 1 16  10 15 o 10.05758  0.4372347     96.57130       12.23916  109.7554       12.48952      -0.6543618     0.8744693 
1 1 1 16  10 16 o 4.692582  0.4820586     21.88321       6.046104  24.33745       6.374498      -0.2547681     0.9641172 
1 1 1 16  10 17 o 4.349627  0.5194109     21.60996       5.915027  18.58618       6.450792      0.3841656      1.038822  
1 1 1 16  10 18 o 6.603079  0.4396306     39.77825       7.931558  52.28637       8.205576      -0.9466292     0.8792612 
1 1 1 16  10 19 o 2.613126  0.6548858     3.372100       6.302094  11.45383       6.504031      -0.8904790     1.309772  
1 1 1 16  10 20 o 2.628292  0.6140248     16.61938       6.738143  -3.296827      6.918573      1.856362       1.228050  
1 1 1 16  10 21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  10 22 o 1.578511  0.5391627     2.935752       7.905678  -16.38506      8.225480      0.6096821      1.078325  
1 1 1 16  12 0  o 19.94976  0.7187408     427.6807       40.38985  379.3972       40.37551      1.214550       1.437482  
1 1 1 16  12 1  o 5.174465  0.2631640     26.39844       3.732847  27.55628       3.924622      -0.1106420     0.5263280 
1 1 1 16  12 2  o 19.91035  0.7736453     401.4482       43.38768  405.0918       43.41226      -0.9158781E-01 1.547291  
1 1 1 16  12 3  o 13.73056  0.5653442     197.7499       20.43824  181.1747       23.58229      0.6295798      1.130688  
1 1 1 16  12 4  o 17.03504  0.6442670     315.0115       30.92239  271.7025       30.84551      1.276152       1.288534  
1 1 1 16  12 5  f 13.38999  0.5121638     197.6598       19.32255  163.6442       19.23419      1.275660       1.024328  
1 1 1 16  12 6  o 42.41124  1.621081      2004.729       193.6712  1811.192       193.4903      2.288247       3.242162  
1 1 1 16  12 7  o 22.85923  0.8706092     539.0119       56.04764  527.7905       56.11160      0.2467329      1.741218  
1 1 1 16  12 8  o 25.26139  0.9685084     648.8846       68.88737  662.2349       68.98910      -0.2640190     1.937017  
1 1 1 16  12 9  f 11.00351  0.4433640     119.0293       13.72669  125.2331       13.75002      -0.2827475     0.8867280 
1 1 1 16  12 10 o 8.245282  0.3606588     68.42790       8.393894  68.68218       8.345879      -0.1588142E-01 0.7213176 
1 1 1 16  12 11 o 10.08834  0.4253882     108.9181       12.16356  96.72012       11.97883      0.6055772      0.8507765 
1 1 1 16  12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  12 13 o 3.973919  0.4901692     24.90557       5.403939  8.527923       5.104610      2.074911       0.9803385 
1 1 1 16  12 14 o 13.89171  0.5889524     202.1480       23.00522  196.7482       23.06065      0.1962240      1.177905  
1 1 1 16  12 15 o 13.49091  0.5710918     182.1481       21.62523  197.2285       21.73533      -0.5583495     1.142184  
1 1 1 16  12 16 o 6.464311  0.4349442     41.17487       7.719803  45.78994       7.982401      -0.3516196     0.8698885 
1 1 1 16  12 17 o 5.846902  0.4693489     33.39426       7.428983  39.32101       7.791397      -0.4963410     0.9386979 
1 1 1 16  12 18 o 5.156762  0.5464748     18.79484       7.095025  41.23426       7.864254      -2.179557      1.092950  
1 1 1 16  12 19 o 3.494047  0.6990477     16.38957       7.090022  15.16449       7.380471      0.1728041      1.398095  
1 1 1 16  12 20 o 2.037294  0.6217714     -7.659822      7.565606  9.910769       7.836746      -1.076119      1.243543  
1 1 1 16  12 21 o 2.317724  0.6933228     3.243778       8.025470  12.43445       8.304446      -0.6466637     1.386646  
1 1 1 16  12 22 o 1.838133  0.6194517     2.090487       8.738141  1.890998       9.087549      -0.4482972E-02 1.238903  
1 1 1 16  14 0  o 32.62804  1.265968      1152.709       116.3462  1057.044       116.2811      1.470910       2.531936  
1 1 1 16  14 1  o 34.12203  1.324341      1241.398       127.3076  1184.809       127.2878      0.8317648      2.648682  
1 1 1 16  14 2  o 30.05440  1.161145      971.7062       98.31912  893.1932       98.22971      1.310190       2.322290  
1 1 1 16  14 3  o 21.78106  0.9518864     525.5792       58.29559  444.5085       58.18573      1.870885       1.903773  
1 1 1 16  14 4  o 7.799268  0.3331602     66.71337       7.372618  55.58043       7.226847      0.7165405      0.6663204 
1 1 1 16  14 5  o 15.02484  0.5795445     245.9814       24.51361  209.9415       24.47450      1.204589       1.159089  
1 1 1 16  14 6  o 19.63565  0.7722028     385.2779       46.10904  398.5679       39.96989      -0.3946366     1.544406  
1 1 1 16  14 7  o 25.38494  0.9866259     693.2479       70.52206  635.4464       70.52718      1.142960       1.973252  
1 1 1 16  14 8  o 7.711807  0.3398985     59.10779       7.294650  60.78425       7.461223      -0.1077496     0.6797969 
1 1 1 16  14 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  14 10 o 5.094602  0.3795835     26.45119       5.367766  26.37427       5.407582      0.8326815E-02  0.7591671 
1 1 1 16  14 11 o 7.035849  0.3792244     51.39576       7.517639  48.95852       7.458867      0.1735072      0.7584487 
1 1 1 16  14 12 o 13.21942  0.5542243     178.0893       20.62538  180.1935       20.63302      -0.7974945E-01 1.108449  
1 1 1 16  14 13 o 5.512810  0.4250253     35.16071       6.656304  27.17449       6.321960      0.7281108      0.8500505 
1 1 1 16  14 14 o 3.795972  0.5991312     14.65244       6.231719  16.50570       6.310419      -0.2370103     1.198262  
1 1 1 16  14 15 o 4.438889  0.5707209     17.77176       6.675786  24.66511       7.089332      -0.7729206     1.141442  
1 1 1 16  14 16 o 2.073306  0.6102508     5.527231       6.239305  -3.851789      6.551292      0.7069002      1.220502  
1 1 1 16  14 17 o 2.044102  0.6267974     -0.1803339     6.441822  1.925847       7.017140      -0.2250234     1.253595  
1 1 1 16  14 18 o 3.180227  0.7199869     11.93613       7.011310  14.36469       7.672721      -0.2540492     1.439974  
1 1 1 16  14 19 o 6.355635  0.5526161     41.39827       9.398840  55.89104       9.888496      -1.097228      1.105232  
1 1 1 16  14 20 o 2.497447  0.7363849     9.128930       8.448750  10.30380       8.846080      -0.8192911E-01 1.472770  
1 1 1 16  14 21 o 1.702748  0.5861362     -0.1983803     8.884015  -6.664133      9.337813      0.1742383      1.172272  
1 1 1 16  16 0  o 27.72593  1.084954      836.0811       84.70951  752.7575       84.65282      1.508203       2.169909  
1 1 1 16  16 1  o 13.86904  0.5469639     212.9643       21.26194  175.4174       21.36780      1.361482       1.093928  
1 1 1 16  16 2  o 21.80186  0.8414686     531.0488       51.62210  439.8471       51.50629      2.100686       1.682937  
1 1 1 16  16 3  o 12.25118  0.5669864     181.2309       19.34510  123.6713       19.27201      2.367298       1.133973  
1 1 1 16  16 4  o 8.988959  0.3805353     81.56385       9.652856  81.33755       9.608583      0.1229953E-01  0.7610706 
1 1 1 16  16 5  o 24.40398  0.9334201     657.5234       64.15208  569.8475       64.04275      1.802930       1.866840  
1 1 1 16  16 6  o 10.35213  0.4300799     110.4908       12.53196  105.9639       12.53863      0.2195238      0.8601598 
1 1 1 16  16 7  o 6.966507  0.3818370     49.66096       6.942124  48.34163       8.124784      0.1089763      0.7636739 
1 1 1 16  16 8  f 11.17363  0.4678317     125.2982       14.67268  127.8276       14.76472      -0.1126308     0.9356635 
1 1 1 16  16 9  o 12.83170  0.6170474     160.3936       27.12340  173.4917       19.26386      -0.6394253     1.234095  
1 1 1 16  16 10 f 9.436242  0.4668423     90.05630       13.47784  91.23847       11.51386      -0.9220586E-01 0.9336846 
1 1 1 16  16 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  16 12 o 7.674750  0.4215554     62.18787       9.095206  58.43474       9.056313      0.2453378      0.8431108 
1 1 1 16  16 13 o 9.796984  0.4681888     105.6720       12.92623  92.72104       12.83473      0.6625587      0.9363776 
1 1 1 16  16 14 o 2.904867  0.6814859     5.991941       6.727099  11.56788       6.665128      -0.6445765     1.362972  
1 1 1 16  16 15 f 4.516405  0.5998834     26.65037       7.202126  17.96799       7.672622      1.009336       1.199767  
1 1 1 16  16 16 o 6.309863  0.5180483     48.28495       9.077299  39.20292       8.990236      0.7272422      1.036097  
1 1 1 16  16 17 f 3.646297  0.7265162     18.60420       7.666424  15.98276       8.058146      0.3383015      1.453032  
1 1 1 16  16 18 o 2.792774  0.7206544     4.054552       7.787409  17.65366       8.394367      -1.232957      1.441309  
1 1 1 16  16 19 o 2.413436  0.7939074     12.63957       12.08828  -2.582512      16.10109      0.4382677      1.587815  
1 1 1 16  16 20 o 1.915238  0.6413811     2.788771       8.796401  1.130081       9.805586      0.2711144E-01  1.282762  
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  o 15.67361  0.6881529     300.4281       27.71836  201.9761       31.65594      3.217993       1.376306  
1 1 1 16  18 4  o 16.92628  0.6695000     320.6655       31.90368  264.6651       31.78142      1.661164       1.339000  
1 1 1 16  18 5  o 21.58408  0.8474604     517.9576       51.48989  447.1901       51.41932      1.645883       1.694921  
1 1 1 16  18 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  18 7  o 11.31782  0.4713827     137.8006       15.03945  122.3309       14.97557      0.6858301      0.9427654 
1 1 1 16  18 8  o 11.45679  0.4972319     144.5960       15.89876  122.7234       16.11212      0.9635670      0.9944638 
1 1 1 16  18 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  18 10 o 11.74451  0.5247157     153.1718       17.32099  130.9615       17.30015      0.9507317      1.049431  
1 1 1 16  18 11 o 7.255884  0.4498056     52.05550       9.097883  56.68273       9.165166      -0.3198627     0.8996112 
1 1 1 16  18 12 o 3.316456  0.6922760     13.38048       7.090039  10.97726       6.821042      0.2972280      1.384552  
1 1 1 16  18 13 o 11.10528  0.5249825     145.6097       16.31560  116.3427       16.34409      1.328911       1.049965  
1 1 1 16  18 14 o 2.246686  0.6665399     -2.118834      7.591244  5.898885       7.317117      -0.5691158     1.333080  
1 1 1 16  18 15 o 2.817997  0.7140252     15.28421       8.141878  2.474770       7.616847      1.230618       1.428050  
1 1 1 16  18 16 o 3.159694  0.7676851     14.73609       8.411259  12.52253       8.197544      0.2209195      1.535370  
1 1 1 16  18 17 o 2.597799  0.6738201     20.26143       8.701773  -8.368581      8.857303      1.959862       1.347640  
1 1 1 16  18 18 o 2.622962  0.7644618     7.705207       9.235337  16.10152       9.563595      -0.5891608     1.528924  
1 1 1 16  18 19 o 4.608145  0.8379835     50.78568       11.35886  34.10363       11.96915      1.755799       1.675967  
1 1 1 16  20 0  o 2.380044  0.6492887     2.700732       5.659647  5.462577       6.885647      -0.4320046     1.298577  
1 1 1 16  20 1  o 20.73573  0.8226395     479.9637       48.00493  415.5580       47.95943      1.559520       1.645279  
1 1 1 16  20 2  o 7.074466  0.4237818     55.15400       8.106469  46.00314       8.676031      0.6637984      0.8475637 
1 1 1 16  20 3  f 6.766844  0.4892816     52.44244       9.169491  40.91521       9.202667      0.8665639      0.9785632 
1 1 1 16  20 4  o 8.355983  0.4191785     75.55503       9.853068  66.19758       9.806078      0.5630136      0.8383570 
1 1 1 16  20 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  20 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  20 7  o 7.146039  0.4467635     56.74120       8.876356  47.72138       8.955215      0.6400546      0.8935270 
1 1 1 16  20 8  o 3.582242  0.6863551     14.69722       6.629215  12.89170       7.893168      0.2204558      1.372710  
1 1 1 16  20 9  o 6.260829  0.4753552     43.61195       8.431154  38.04929       8.118299      0.4399900      0.9507104 
1 1 1 16  20 10 o 3.602168  0.6910999     8.249148       7.358517  20.29848       7.793762      -1.400036      1.382200  
1 1 1 16  20 11 o 3.732882  0.7420948     17.54169       8.380928  14.73635       7.965137      0.3125112      1.484190  
1 1 1 16  20 12 o 7.947160  0.5097736     67.64820       11.36534  68.55399       11.30257      -0.6097499E-01 1.019547  
1 1 1 16  20 13 o 3.213539  0.7391694     5.506122       8.645766  18.20105       8.141811      -1.264042      1.478339  
1 1 1 16  20 14 o 8.088512  0.5641015     66.42993       12.78840  83.57052       12.54390      -1.101464      1.128203  
1 1 1 16  20 15 o 1.916098  0.6317124     3.895665       9.490446  -10.62417      8.518195      0.7199087      1.263425  
1 1 1 16  20 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  20 17 o 2.536974  0.7769801     13.98875       10.45414  10.00470       10.16253      0.2297450      1.553960  
1 1 1 16  22 0  o 9.709087  0.5012008     100.8473       12.67450  91.94666       14.90401      0.5120131      1.002402  
1 1 1 16  22 1  o 7.126240  0.4478804     58.24260       8.625532  45.31641       9.162427      0.9327514      0.8957607 
1 1 1 16  22 2  o 6.392788  0.5282819     46.32388       8.468702  37.02376       10.44842      0.8100716      1.056564  
1 1 1 16  22 3  o 7.658018  0.5544440     63.51362       11.60223  58.55244       12.07265      0.3418049      1.108888  
1 1 1 16  22 4  o 9.557498  0.4946336     116.0418       13.13639  73.68718       12.95970      2.233639       0.9892673 
1 1 1 16  22 5  o 11.95144  0.6068649     155.5921       18.73905  143.3824       22.47313      0.6373738      1.213730  
1 1 1 16  22 6  o 6.436557  0.5109324     48.60286       9.092544  37.90014       9.088241      0.8476408      1.021865  
1 1 1 16  22 7  o 2.022991  0.6258945     -7.550934      7.029617  4.155739       7.921472      -0.8666077     1.251789  
1 1 1 16  22 8  o 7.584334  0.5019531     68.57576       10.60707  52.70761       10.55578      1.058872       1.003906  
1 1 1 16  22 9  o 3.931709  0.7348513     21.95646       8.409731  13.66564       8.538866      0.9341471      1.469703  
1 1 1 16  22 10 o 2.707733  0.7249440     13.66695       8.453042  -2.294737      8.849652      1.246998       1.449888  
1 1 1 16  22 11 o 2.314838  0.7117403     6.795567       9.397367  -3.743952      8.790257      0.6971465      1.423481  
1 1 1 16  22 12 o 1.908187  0.6383313     -0.5224673     10.47520  -10.83534      8.495185      0.6216122      1.276663  
1 1 1 16  22 13 o 1.688397  0.5877602     -9.153949      10.30435  -17.92475      9.543490      0.3137624      1.175520  
1 1 1 16  22 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  22 15 o 3.497711  0.8806640     19.30569       12.22080  30.13447       11.07753      -1.012090      1.761328  
1 1 1 16  24 0  f 7.474920  0.4922828     63.14510       10.10706  53.93820       10.43070      0.6366656      0.9845656 
1 1 1 16  24 1  o 6.146512  0.5582347     48.71914       9.203800  31.41474       9.428473      1.461895       1.116469  
1 1 1 16  24 2  o 2.871129  0.7418551     4.488355       8.120059  11.17412       8.004020      -0.6328999     1.483710  
1 1 1 16  24 3  o 3.901717  0.7540032     23.47097       8.734485  10.01356       9.605884      1.411713       1.508006  
1 1 1 16  24 4  o 3.918439  0.7821416     21.98801       8.849875  12.56169       10.15031      0.9944085      1.564283  
1 1 1 16  24 5  o 4.116357  0.7380305     30.91217       9.267030  4.848595       11.31178      2.419107       1.476061  
1 1 1 16  24 6  o 5.832735  0.6113328     48.30083       9.413985  26.82687       9.686141      1.923604       1.222666  
1 1 1 16  24 7  o 6.822801  0.5766960     53.23032       10.64632  50.33976       11.17650      0.2546037      1.153392  
1 1 1 16  24 8  o 2.652732  0.7376633     13.36652       8.922004  -2.231195      9.200505      1.138781       1.475327  
1 1 1 16  24 9  o 2.088456  0.6860702     1.166761       10.02875  -9.537948      9.990605      0.4625981      1.372140  
1 1 1 16  24 10 o 3.366482  0.8451034     21.61941       10.37375  10.69711       10.76412      0.9427648      1.690207  
1 1 1 16  24 11 o 2.584821  0.7840633     13.41893       10.88248  1.510837       10.49314      0.7123852      1.568127  
1 1 1 16  24 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  24 13 o 2.215758  0.7480082     17.75994       16.07509  -7.810414      11.85361      0.8855309      1.496016  
1 1 1 16  26 0  o 1.989323  0.6520309     0.4246005      8.889125  -10.78463      9.209599      0.4685685      1.304062  
1 1 1 16  26 1  o 4.772625  0.7666091     35.61111       10.40345  20.32535       10.29674      1.520838       1.533218  
1 1 1 16  26 2  o 3.691369  0.8475208     20.41056       9.330182  13.57299       12.37751      0.6833523      1.695042  
1 1 1 16  26 3  o 2.086827  0.6888055     -7.338118      9.846776  -2.353454      10.27858      -0.2549105     1.377611  
1 1 1 16  26 4  o 2.764157  0.8047329     9.678462       9.776046  4.854472       10.79345      0.2815008      1.609466  
1 1 1 16  26 5  f 2.620011  0.8020583     4.991993       10.15628  5.498733       11.82568      -0.1222078     1.604117  
1 1 1 16  26 6  o 3.812593  0.8805225     18.84292       10.68561  24.41067       11.26772      -0.4759001     1.761045  
1 1 1 16  26 7  o 4.428269  0.8256594     37.67426       11.00161  18.70605       11.61219      1.854483       1.651319  
1 1 1 16  26 8  o 4.669637  0.9487873     39.28849       14.42024  34.49228       12.23514      0.5787010E-01  1.897575  
1 1 1 16  26 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  26 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  28 0  o 2.824924  1.276731      ?              ?         11.03758       15.39087      ?              ?         
1 1 1 16  28 1  o 2.670174  1.300766      ?              ?         1.182742       22.39118      ?              ?         
1 1 1 16  28 2  o 2.702420  0.9195568     5.829242       19.93466  4.551120       21.54585      0.5975580E-03  1.839114  
1 1 1 16  28 3  o 2.646135  0.9248360     -36.42413      38.50176  9.837775       20.85384      -0.2547512     1.849672  
1 1 1 16  28 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  28 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 16  28 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  1  0  o 9.450630  0.6846685     107.9633       14.69482  69.70335       20.73271      2.157474       1.369337  
1 1 1 17  1  1  o 6.580686  0.5470485     43.73380       7.134851  ?              ?             ?              ?         
1 1 1 17  1  2  o 13.32446  0.7204036     163.8257       26.83616  196.2701       26.92369      -1.227225      1.440807  
1 1 1 17  1  3  o 4.308235  0.3266519     21.50882       4.132106  16.22125       3.684777      0.6149963      0.6533038 
1 1 1 17  1  4  o 6.759414  0.3972425     38.35562       7.451915  53.80847       7.467736      -1.156971      0.7944849 
1 1 1 17  1  5  o 3.405386  0.3552714     6.534863       3.068659  17.79869       3.235711      -1.695894      0.7105429 
1 1 1 17  1  6  o 4.440969  0.3375932     16.96860       4.195038  22.72938       4.094767      -0.6633638     0.6751863 
1 1 1 17  1  7  o 16.04072  0.8522376     219.7788       37.94883  307.9069       38.13153      -2.772824      1.704475  
1 1 1 17  1  8  o 11.19042  0.6249744     106.2735       19.41543  147.8710       19.49798      -1.878404      1.249949  
1 1 1 17  1  9  o 6.774322  0.4219543     38.16491       7.978574  54.36948       7.862107      -1.214546      0.8439086 
1 1 1 17  1  10 o 17.71954  0.8529035     315.6964       47.54855  323.6733       38.75744      -0.3051488     1.705807  
1 1 1 17  1  11 o 15.61183  0.6054178     233.4814       26.60107  258.9421       26.61984      -0.8185874     1.210836  
1 1 1 17  1  12 o 38.93608  1.558630      1613.229       170.9480  1622.253       170.9456      -0.1162917     3.117261  
1 1 1 17  1  13 o 3.828025  0.3408107     14.75483       3.611032  15.11859       3.605321      -0.4846890E-01 0.6816214 
1 1 1 17  1  14 o 16.07001  0.7427987     255.8058       33.54029  274.1236       33.58500      -0.5721795     1.485597  
1 1 1 17  1  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  1  16 o 4.463116  0.4971840     20.43410       5.595546  21.16489       6.700348      -0.5032320E-01 0.9943681 
1 1 1 17  1  17 o 3.851396  0.5172787     12.70457       5.428430  18.26041       5.438399      -0.7336600     1.034557  
1 1 1 17  1  18 o 4.532506  0.4729416     22.60337       5.846858  20.60036       5.905449      0.2287045      0.9458832 
1 1 1 17  1  19 o 6.115447  0.4225279     31.62470       7.070508  46.59066       7.177182      -1.240005      0.8450559 
1 1 1 17  1  20 o 2.212331  0.6027651     1.280574       5.547725  6.915801       5.541860      -0.5939823     1.205530  
1 1 1 17  1  21 o 7.580040  0.4465446     61.40904       9.454854  65.71177       9.509251      -0.2813495     0.8930892 
1 1 1 17  1  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  1  23 o 1.626859  0.5459214     -6.232600      6.785598  1.307151       7.043962      -0.3633791     1.091843  
1 1 1 17  3  0  o 11.35278  0.4338045     130.7357       13.88414  128.8382       13.87114      0.8374460E-01  0.8676090 
1 1 1 17  3  1  o 17.29826  0.6540774     287.9826       31.84477  317.2338       31.88274      -0.8484212     1.308155  
1 1 1 17  3  2  o 5.837050  0.2529020     34.57861       4.117319  33.90312       4.193959      0.5866425E-01  0.5058039 
1 1 1 17  3  3  o 11.00317  0.4281137     119.6152       13.26255  124.3079       13.27832      -0.2138360     0.8562274 
1 1 1 17  3  4  o 18.53619  0.6867550     356.6729       35.88662  341.0056       35.85977      0.4236751      1.373510  
1 1 1 17  3  5  o 21.52027  0.7941057     469.7223       48.16871  475.7892       48.16718      -0.1413657     1.588211  
1 1 1 17  3  6  o 5.569530  0.2498948     28.72377       3.924683  33.53341       3.895213      -0.4346749     0.4997895 
1 1 1 17  3  7  o 23.54788  0.8728468     577.5360       57.92100  558.1251       57.92919      0.4134556      1.745694  
1 1 1 17  3  8  o 19.00171  0.7264729     360.3765       38.87502  373.5355       38.91358      -0.3470303     1.452946  
1 1 1 17  3  9  o 1.060375  0.3384136     -1.452079      2.115644  -0.8753387     2.202276      -0.8965303E-01 0.6768273 
1 1 1 17  3  10 o 4.929769  0.3076214     19.52520       3.636623  30.35508       4.911108      -1.090209      0.6152428 
1 1 1 17  3  11 o 24.12133  1.341514      551.4328       90.51754  664.3260       90.57068      -2.361271      2.683029  
1 1 1 17  3  12 o 27.87008  1.608823      747.4255       125.1645  919.2412       125.3874      -3.110687      3.217647  
1 1 1 17  3  13 o 12.01121  0.6706390     118.3322       22.23507  176.4753       22.37616      -2.446651      1.341278  
1 1 1 17  3  14 o 19.96148  1.139608      349.8249       62.97865  494.3859       63.31229      -3.657162      2.279215  
1 1 1 17  3  15 o 9.062799  0.5575240     67.49487       13.95671  100.5723       13.96510      -1.850473      1.115048  
1 1 1 17  3  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  3  17 o 6.842285  0.5713902     44.17920       11.17401  53.01367       10.47546      -0.6820406     1.142780  
1 1 1 17  3  18 o 3.228547  0.7303065     8.377539       8.286454  13.35439       7.231920      -0.5145618     1.460613  
1 1 1 17  3  19 o 5.358105  0.6580179     18.51668       10.03388  45.51479       9.083295      -2.598378      1.316036  
1 1 1 17  3  20 o 4.762400  0.5883188     21.89834       9.726147  28.28353       6.656658      -0.9455231     1.176638  
1 1 1 17  3  21 o 2.017862  0.5941659     6.194730       5.970599  -1.265072      5.919933      0.6369616      1.188332  
1 1 1 17  3  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  3  23 o 1.580132  0.5381428     -3.055596      7.094218  -4.968405      7.169754      0.6798292E-01  1.076286  
1 1 1 17  5  0  o 26.85448  1.027577      720.8748       77.71053  763.3159       77.76386      -0.7923134     2.055153  
1 1 1 17  5  1  o 7.485558  0.3014733     48.52620       6.294766  64.19226       6.346624      -1.052042      0.6029466 
1 1 1 17  5  2  o 22.75769  0.8677802     500.8231       55.56557  557.4950       55.64386      -1.249306      1.735560  
1 1 1 17  5  3  o 18.38572  0.6928916     335.7034       35.88259  351.1122       35.90837      -0.4201365     1.385783  
1 1 1 17  5  4  o 11.79436  0.4563259     143.7480       15.17626  136.8625       15.14684      0.2926582      0.9126517 
1 1 1 17  5  5  o 8.063019  0.3153951     64.15083       7.137712  66.63433       7.190164      -0.1541476     0.6307903 
1 1 1 17  5  6  f 15.56419  0.5897934     245.3377       25.86880  245.3777       25.86947      -0.1283541E-02 1.179587  
1 1 1 17  5  7  o 38.00871  1.456117      1498.484       155.8304  1562.212       156.0258      -0.8381729     2.912234  
1 1 1 17  5  8  o 20.56055  0.7728462     402.8768       44.68264  456.1659       44.78721      -1.300307      1.545692  
1 1 1 17  5  9  o 7.041165  0.2950176     47.08180       5.813177  52.51977       5.874909      -0.3874727     0.5900352 
1 1 1 17  5  10 o 35.59782  1.395504      1324.826       139.9616  1328.376       139.9532      -0.5012302E-01 2.791009  
1 1 1 17  5  11 o 26.21307  1.011266      708.9072       74.71613  704.3467       74.66930      0.8678494E-01  2.022533  
1 1 1 17  5  12 o 27.38950  1.047258      770.3188       80.83366  783.1057       80.81854      -0.2343132     2.094515  
1 1 1 17  5  13 o 3.529643  0.4001198     12.05440       3.846984  13.56209       3.863901      -0.2183652     0.8002397 
1 1 1 17  5  14 o 4.423047  0.3720659     21.20541       4.570023  18.61322       4.540868      0.2975858      0.7441317 
1 1 1 17  5  15 o 6.965450  0.3618735     47.66687       7.050862  50.62016       7.103715      -0.2125514     0.7237470 
1 1 1 17  5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  5  17 o 8.683390  0.4255404     68.71979       10.25750  85.85353       10.44578      -0.9896685     0.8510807 
1 1 1 17  5  18 o 5.915445  0.4230302     37.84969       6.945921  34.92865       7.005731      0.2520381      0.8460604 
1 1 1 17  5  19 o 2.886640  0.6382400     8.594069       5.649734  10.14019       5.938503      -0.2072227     1.276480  
1 1 1 17  5  20 o 4.400815  0.6113963     15.89987       6.387082  30.41026       8.365249      -1.470468      1.222793  
1 1 1 17  5  21 o 1.858286  0.6052744     5.251919       9.091061  -11.92659      7.693352      0.9311383      1.210549  
1 1 1 17  5  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  5  23 o 2.545450  0.7822227     15.08818       10.79227  14.17076       10.19586      0.2255165E-01  1.564445  
1 1 1 17  7  0  o 25.31674  0.9632225     642.5668       68.67711  676.4970       68.72789      -0.6717457     1.926445  
1 1 1 17  7  1  o 8.275373  0.3539550     72.60624       8.902131  65.93382       7.694263      0.3950536      0.7079099 
1 1 1 17  7  2  o 18.77647  0.7550117     330.8336       37.15353  391.3336       42.99144      -1.559846      1.510023  
1 1 1 17  7  3  o 25.83618  0.9756004     705.3565       71.03741  670.0168       70.99688      0.6856655      1.951201  
1 1 1 17  7  4  o 1.600156  0.3822974     3.020277       2.164868  1.773588       1.988796      0.2855748      0.7645948 
1 1 1 17  7  5  o 20.34120  0.7359545     435.5425       42.21184  406.2175       42.15780      0.7226410      1.471909  
1 1 1 17  7  6  o 34.63601  1.215622      1296.527       118.6918  1200.518       118.6294      1.389540       2.431245  
1 1 1 17  7  7  o 23.75820  0.8939424     573.5240       59.83023  580.5495       59.87833      -0.1478532     1.787885  
1 1 1 17  7  8  o 6.460063  0.2827146     45.20342       5.116970  38.54934       5.146226      0.5182580      0.5654292 
1 1 1 17  7  9  o 17.60634  0.6653303     301.7244       32.95908  325.6859       33.03430      -0.6823384     1.330661  
1 1 1 17  7  10 o 23.09781  0.8827625     536.1910       57.44729  553.6547       57.45520      -0.3791414     1.765525  
1 1 1 17  7  11 o 10.29918  0.4094149     100.8393       11.88550  112.6528       11.85092      -0.5762564     0.8188298 
1 1 1 17  7  12 o 20.21164  0.7788891     425.3629       44.37581  410.6066       44.33067      0.3657227      1.557778  
1 1 1 17  7  13 f 20.38095  0.7895679     423.3531       45.34255  431.5036       45.33715      -0.2006460     1.579136  
1 1 1 17  7  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  7  15 o 4.029670  0.4742483     17.74493       5.089941  15.91284       5.347835      0.2409874      0.9484966 
1 1 1 17  7  16 o 12.04522  0.5143852     155.3573       17.39840  143.0513       17.46807      0.5145869      1.028770  
1 1 1 17  7  17 o 8.678330  0.4297209     78.75882       10.41787  76.53617       10.54389      0.1320280      0.8594418 
1 1 1 17  7  18 o 2.604940  0.6351801     4.770402       5.631360  9.090362       5.924786      -0.5448821     1.270360  
1 1 1 17  7  19 o 3.865264  0.5870574     15.02989       6.129525  18.86019       6.330911      -0.4773842     1.174115  
1 1 1 17  7  20 o 1.479662  0.5020890     -7.245203      6.029608  -6.348801      6.119584      -0.5345257E-01 1.004178  
1 1 1 17  7  21 o 2.963078  0.6907881     12.73666       6.674121  11.44118       6.780152      0.1599474      1.381576  
1 1 1 17  7  22 o 2.206635  0.6596874     5.429049       7.076412  6.814556       7.114148      -0.1084248     1.319375  
1 1 1 17  7  23 o 2.026362  0.6349531     12.32305       7.786623  -0.6172258     7.988254      0.7452401      1.269906  
1 1 1 17  9  0  o 4.920660  0.2728536     23.16020       3.977007  25.40102       3.582594      -0.2343186     0.5457072 
1 1 1 17  9  1  o 17.77155  0.6853369     320.5146       34.30397  321.5707       34.33279      -0.2955713E-01 1.370674  
1 1 1 17  9  2  o 20.14211  0.7766278     411.6130       44.06581  416.0827       44.08802      -0.1110872     1.553256  
1 1 1 17  9  3  o 22.63581  0.9242229     527.6689       55.10575  524.2034       63.65140      0.1665996      1.848446  
1 1 1 17  9  4  o 9.060562  0.3488708     75.71519       8.889623  89.24162       8.891899      -0.7499107     0.6977416 
1 1 1 17  9  5  o 2.516855  0.3821428     4.776766       2.889343  7.907827       2.543805      -0.6087831     0.7642857 
1 1 1 17  9  6  o 19.54681  0.7215659     407.7083       39.75013  367.0235       39.69724      1.044173       1.443132  
1 1 1 17  9  7  o 9.702898  0.3695247     91.32977       10.07820  97.97346       10.12138      -0.3432786     0.7390494 
1 1 1 17  9  8  o 16.10857  0.6022344     240.2845       27.22607  283.7189       27.35623      -1.353222      1.204469  
1 1 1 17  9  9  o 4.678666  0.2912189     19.20496       3.749250  24.88723       3.843844      -0.6132535     0.5824379 
1 1 1 17  9  10 o 10.12111  0.4057249     101.5918       11.56676  104.8249       11.56512      -0.1602725     0.8114498 
1 1 1 17  9  11 o 2.451801  0.4855161     5.253390       3.553017  7.078374       3.497997      -0.3160762     0.9710323 
1 1 1 17  9  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  9  13 o 21.44109  0.8422639     478.6529       50.88763  476.1183       50.86794      0.5897171E-01  1.684528  
1 1 1 17  9  14 o 10.95850  0.4646980     124.7693       14.37401  119.5445       14.29585      0.2382573      0.9293961 
1 1 1 17  9  15 o 2.206139  0.5981757     2.669078       5.048645  4.440875       5.460380      -0.2527784     1.196351  
1 1 1 17  9  16 f 4.261867  0.5132669     16.14204       5.764296  22.07914       6.119318      -0.7007309     1.026534  
1 1 1 17  9  17 o 6.143269  0.4329565     44.08955       7.308599  34.06063       7.453961      0.8352783      0.8659129 
1 1 1 17  9  18 o 4.858389  0.5132943     18.08202       6.445522  33.02304       6.961645      -1.554948      1.026589  
1 1 1 17  9  19 o 4.873422  0.5291496     28.39268       6.865388  24.46524       7.250329      0.4476544      1.058299  
1 1 1 17  9  20 o 2.086546  0.6212009     -0.2341936     6.322287  6.097992       6.585185      -0.5345110     1.242402  
1 1 1 17  9  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  9  22 o 1.764575  0.5855395     -4.383413      7.492477  3.516095       7.632464      -0.3770258     1.171079  
1 1 1 17  11 0  o 20.01041  0.8114067     407.6550       42.75839  409.2780       49.42496      0.1784973E-01  1.622813  
1 1 1 17  11 1  o 27.62486  1.062860      792.8528       82.73241  780.9122       82.73080      0.2167618      2.125721  
1 1 1 17  11 2  o 4.476336  0.2723769     18.29367       3.267519  22.20957       3.556961      -0.4374246     0.5447537 
1 1 1 17  11 3  o 34.19484  1.268795      1203.136       122.2609  1231.489       122.2963      -0.4153573     2.537591  
1 1 1 17  11 4  o 22.70538  0.8459439     515.7095       54.11717  535.0445       54.13946      -0.4268735     1.691888  
1 1 1 17  11 5  o 21.66450  0.7859528     495.8929       48.01157  457.5465       47.93948      0.8873904      1.571906  
1 1 1 17  11 6  o 40.53523  1.514626      1811.535       173.0057  1648.891       172.8279      2.011379       3.029252  
1 1 1 17  11 7  o 11.51327  0.4383246     139.6220       14.18912  127.1152       14.23522      0.5455104      0.8766493 
1 1 1 17  11 8  o 17.87840  0.6688264     313.1606       33.63658  334.7104       33.74028      -0.6038812     1.337653  
1 1 1 17  11 9  f 11.79771  0.4645803     144.2490       15.43869  136.5663       15.43587      0.3267249      0.9291606 
1 1 1 17  11 10 o 7.077609  0.3332330     46.95015       6.611470  53.87040       6.636117      -0.4916562     0.6664660 
1 1 1 17  11 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  11 12 o 9.369627  0.4145066     85.38515       10.96024  92.17602       10.88936      -0.3648819     0.8290132 
1 1 1 17  11 13 o 7.300966  0.3790657     52.07063       7.821410  55.92623       7.718879      -0.2671465     0.7581314 
1 1 1 17  11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  11 15 o 7.930753  0.4115928     61.93969       9.047442  66.93501       9.283257      -0.3117041     0.8231856 
1 1 1 17  11 16 o 6.305148  0.4385951     34.81827       7.418270  47.82719       7.924479      -1.029261      0.8771901 
1 1 1 17  11 17 o 7.617172  0.4504452     58.64919       9.550354  63.46764       9.670380      -0.3136894     0.9008905 
1 1 1 17  11 18 o 4.034522  0.5988078     20.06667       6.446369  17.02570       6.845705      0.4067689      1.197616  
1 1 1 17  11 19 o 2.630195  0.6612546     2.066723       6.457264  13.91918       7.136667      -1.234529      1.322509  
1 1 1 17  11 20 o 2.507134  0.6941859     8.477578       7.049345  7.501371       7.283667      0.8742484E-01  1.388372  
1 1 1 17  11 21 o 3.655967  0.7478850     19.86151       8.002602  23.28858       8.373034      -0.3216163     1.495770  
1 1 1 17  11 22 o 1.687598  0.5744383     -8.125380      8.281295  4.791915       8.530350      -0.4773802     1.148877  
1 1 1 17  13 0  o 41.00512  1.690075      1750.504       182.4556  1850.823       210.8535      -0.8217082     3.380150  
1 1 1 17  13 1  o 17.66831  0.6730893     338.3216       33.48418  293.2244       33.44812      1.281534       1.346179  
1 1 1 17  13 2  o 12.42411  0.4916273     159.6279       17.18550  151.5647       17.22082      0.3258660      0.9832547 
1 1 1 17  13 3  o 10.74351  0.4220304     117.2489       12.76098  115.2135       12.78614      0.9518032E-01  0.8440609 
1 1 1 17  13 4  o 4.899395  0.2929668     23.34867       4.063284  25.02031       3.977909      -0.1730146     0.5859337 
1 1 1 17  13 5  o 16.60802  0.6282063     289.1723       29.40404  268.8111       29.37554      0.6149204      1.256413  
1 1 1 17  13 6  o 16.34955  0.6502644     279.0768       32.34990  264.6423       27.99464      0.4089311      1.300529  
1 1 1 17  13 7  o 15.42070  0.5936488     242.2803       25.75882  239.3982       25.83078      0.9428707E-01  1.187298  
1 1 1 17  13 8  o 10.80848  0.4337248     117.4797       13.14919  118.3210       13.26132      -0.3819486E-01 0.8674496 
1 1 1 17  13 9  o 15.71903  0.6049874     250.8153       26.77067  251.5012       26.82215      -0.2138289E-01 1.209975  
1 1 1 17  13 10 o 7.058423  0.3552089     49.27080       7.051008  51.38261       7.036813      -0.1505673     0.7104177 
1 1 1 17  13 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  13 12 o 6.895614  0.3856712     54.14587       7.449987  42.18318       7.404462      0.8755333      0.7713423 
1 1 1 17  13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  13 14 o 11.17356  0.4862353     127.4844       15.24449  129.9146       15.33951      -0.1070156     0.9724705 
1 1 1 17  13 15 o 6.449042  0.4385202     46.18272       7.881551  40.00431       7.889188      0.4851600      0.8770404 
1 1 1 17  13 16 o 3.905907  0.6204657     11.42866       6.537826  22.53458       7.088245      -1.343718      1.240931  
1 1 1 17  13 17 o 7.566803  0.4585108     54.52996       9.502408  68.01978       9.867746      -0.8798431     0.9170215 
1 1 1 17  13 18 o 2.064380  0.6306683     1.886220       6.481275  1.331597       7.012258      -0.1587653E-01 1.261337  
1 1 1 17  13 19 f 1.709528  0.5558132     -10.96546      6.698901  3.946719       7.373264      -0.8238056     1.111626  
1 1 1 17  13 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  13 21 o 2.258259  0.6692998     -2.523433      8.451046  18.72899       8.841620      -1.289196      1.338600  
1 1 1 17  15 0  o 36.80241  1.587895      1518.894       153.5025  1351.958       177.1024      2.644859       3.175789  
1 1 1 17  15 1  o 12.97679  0.5065179     185.7145       18.39043  153.6788       18.55505      1.241845       1.013036  
1 1 1 17  15 2  o 8.374169  0.3648504     73.78122       8.555884  67.27274       8.633050      0.3910720      0.7297009 
1 1 1 17  15 3  o 10.04248  0.4063947     105.1983       11.45793  97.85934       11.52311      0.3672988      0.8127894 
1 1 1 17  15 4  o 8.496127  0.3667397     71.30523       8.824873  74.07709       8.715744      -0.1645996     0.7334794 
1 1 1 17  15 5  o 3.028051  0.4735363     12.30504       3.959156  6.234399       4.176007      0.9634379      0.9470725 
1 1 1 17  15 6  o 20.38287  0.7757917     438.8196       44.56273  410.7574       44.52589      0.6903479      1.551583  
1 1 1 17  15 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  15 8  o 8.820896  0.3962909     75.48719       9.771556  81.71361       9.890829      -0.3534105     0.7925818 
1 1 1 17  15 9  o 3.676687  0.5036820     15.00328       5.190384  13.29839       4.908327      0.2273609      1.007364  
1 1 1 17  15 10 o 12.08438  0.5038134     156.2264       17.17704  140.9365       17.08310      0.6342256      1.007627  
1 1 1 17  15 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  15 12 o 6.597759  0.4216551     45.12998       7.809974  44.06715       7.756903      0.8011904E-01  0.8433103 
1 1 1 17  15 13 o 4.912948  0.4920524     26.50938       6.832409  24.15996       6.463796      0.2304593      0.9841048 
1 1 1 17  15 14 f 1.844650  0.5826473     -4.432341      6.441708  0.6068248E-01  6.143602      -0.2511703     1.165295  
1 1 1 17  15 15 o 1.996153  0.6177239     0.6858897      6.748403  -1.398881      6.567322      0.1738627      1.235448  
1 1 1 17  15 16 o 3.974839  0.6627665     18.82132       7.214144  18.31705       7.456144      0.7805463E-01  1.325533  
1 1 1 17  15 17 o 3.361006  0.7058198     17.22744       7.265091  11.00899       7.477242      0.7402524      1.411640  
1 1 1 17  15 18 o 2.672895  0.6828386     15.41388       7.365120  1.236452       7.776775      1.280515       1.365677  
1 1 1 17  15 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  15 20 o 2.597103  0.7238119     3.910905       8.465394  22.38711       9.298784      -1.323947      1.447624  
1 1 1 17  17 0  o 2.315089  0.5774403     5.401023       4.331836  3.679290       5.272150      0.1196079      1.154881  
1 1 1 17  17 1  o 26.42930  1.027341      761.8963       76.44952  688.8242       76.43552      1.387819       2.054683  
1 1 1 17  17 2  o 9.525465  0.4185674     105.2757       11.08907  77.92520       11.19217      1.446846       0.8371348 
1 1 1 17  17 3  o 16.29367  0.8236859     273.0976       34.46984  274.1509       42.07302      0.6935824E-01  1.647372  
1 1 1 17  17 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  17 5  o 6.690114  0.3832720     49.62350       7.105905  40.64141       7.234168      0.6799335      0.7665439 
1 1 1 17  17 6  o 4.758753  0.4173940     23.11346       5.452339  23.23587       5.544120      -0.1114405E-01 0.8347880 
1 1 1 17  17 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  17 8  o 13.75125  0.5626405     206.8510       21.71496  179.2368       21.80307      1.010416       1.125281  
1 1 1 17  17 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  17 10 o 7.946044  0.4299744     68.29944       9.670261  60.63220       9.489305      0.4825371      0.8599488 
1 1 1 17  17 11 o 8.225392  0.4448612     74.92077       10.26164  63.81580       10.24028      0.6801808      0.8897225 
1 1 1 17  17 12 o 5.387887  0.5051847     34.48299       7.546206  26.25579       7.377826      0.7762521      1.010369  
1 1 1 17  17 13 o 4.799492  0.5608608     21.92039       7.535741  27.34386       7.157023      -0.6020051     1.121722  
1 1 1 17  17 14 o 3.540415  0.6886506     12.73493       7.330691  16.07086       7.010091      -0.4180812     1.377301  
1 1 1 17  17 15 o 7.344854  0.5118542     59.42743       10.60572  59.08870       10.38844      0.8136892E-02  1.023708  
1 1 1 17  17 16 o 2.772386  0.7349928     7.574771       7.993685  10.71072       7.714112      -0.2922770     1.469986  
1 1 1 17  17 17 o 2.272768  0.6892331     0.9973712      8.128555  7.517474       8.087871      -0.4428683     1.378466  
1 1 1 17  17 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  17 19 o 1.660153  0.5752800     -3.075126      8.986675  -9.990971      9.414889      0.1680293      1.150560  
1 1 1 17  19 0  o 4.220859  1.373250      18.27342       13.28675  ?              ?             ?              ?         
1 1 1 17  19 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  19 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  19 3  o 1.700944  0.5439820     0.9597420      5.808088  -12.14011      6.653378      0.5995780      1.087964  
1 1 1 17  19 4  o 8.783464  0.4172118     74.43475       10.24728  81.99071       10.34702      -0.4312002     0.8344237 
1 1 1 17  19 5  o 8.308940  0.4354398     75.28537       9.994646  64.67102       10.29855      0.6486604      0.8708795 
1 1 1 17  19 6  o 11.46719  0.6180952     160.8568       21.90919  113.2159       17.94189      2.012433       1.236190  
1 1 1 17  19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  19 8  o 12.72048  0.5462407     173.1899       19.40010  160.5074       19.70562      0.5073746      1.092481  
1 1 1 17  19 9  o 2.195516  0.6352441     4.243859       6.474387  -0.1311081     6.285934      0.4132243      1.270488  
1 1 1 17  19 10 o 7.379640  0.4637847     53.23104       9.495496  59.79383       9.641223      -0.4444378     0.9275694 
1 1 1 17  19 11 o 5.978772  0.5366752     33.56095       8.957694  42.00452       8.704415      -0.7356777     1.073350  
1 1 1 17  19 12 o 3.620934  0.6363190     3.426140       7.458095  25.06989       7.581609      -2.380946      1.272638  
1 1 1 17  19 13 o 4.717361  0.6262012     21.21889       8.497736  28.66266       7.749422      -0.8627490     1.252402  
1 1 1 17  19 14 o 3.092164  0.7484103     7.876868       8.452822  15.10361       7.897634      -0.7302431     1.496821  
1 1 1 17  19 15 o 2.675401  0.7431496     3.658963       8.550406  13.02851       8.643186      -0.7664109     1.486299  
1 1 1 17  19 16 o 2.106851  0.6773245     -3.911075      9.370210  5.245012       8.800756      -0.4191705     1.354649  
1 1 1 17  19 17 o 3.108998  0.8775801     27.49467       12.07779  13.38443       12.66732      0.9533753      1.755160  
1 1 1 17  19 18 o 3.299768  0.7566273     5.314263       10.60942  39.54638       10.70961      -2.523991      1.513255  
1 1 1 17  21 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  21 2  o 2.651377  0.7666407     3.277482       7.950140  3.375659       10.63732      -0.3029838     1.533281  
1 1 1 17  21 3  o 4.614460  0.6499862     33.67295       7.751244  9.642654       9.916059      2.457166       1.299972  
1 1 1 17  21 4  o 12.71060  0.5497038     174.2661       19.64742  159.2117       19.66207      0.5953144      1.099408  
1 1 1 17  21 5  o 3.569802  0.7231804     10.07751       7.547898  17.44712       8.068460      -0.8603637     1.446361  
1 1 1 17  21 6  o 3.196594  0.7286869     12.87075       7.627220  8.539464       7.508510      0.4929675      1.457374  
1 1 1 17  21 7  o 7.750920  0.4708489     55.46910       9.953108  69.21280       10.42847      -0.8812442     0.9416979 
1 1 1 17  21 8  o 3.039537  0.7265283     5.517283       7.645334  13.38001       7.736324      -0.8366187     1.453057  
1 1 1 17  21 9  o 7.281587  0.5097288     61.98292       10.09445  49.67836       10.54477      0.8791129      1.019458  
1 1 1 17  21 10 o 4.075310  0.7233342     13.57478       8.439500  24.70101       8.646449      -1.229986      1.446668  
1 1 1 17  21 11 o 4.024715  0.7312334     27.66386       9.033831  10.80582       8.820454      1.785022       1.462467  
1 1 1 17  21 12 o 3.686271  0.8046405     16.29532       9.525983  18.95902       9.042686      -0.3017168     1.609281  
1 1 1 17  21 13 o 5.086724  0.7094208     24.65197       10.38775  39.86121       9.669289      -1.588121      1.418842  
1 1 1 17  21 14 o 3.239348  0.8197027     18.44149       9.742053  13.85822       9.407845      0.4026850      1.639405  
1 1 1 17  21 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  21 16 o 2.753808  0.8136452     11.76949       11.63743  19.40819       10.34915      -0.5434573     1.627290  
1 1 1 17  23 0  o 3.154572  0.7389463     5.788175       7.689189  15.01697       8.284583      -1.000341      1.477893  
1 1 1 17  23 1  o 2.727195  0.7302363     7.613491       7.780712  5.110450       7.744124      0.2398946      1.460473  
1 1 1 17  23 2  o 2.791865  0.7942291     11.43774       10.53979  -2.708512      10.07891      1.024493       1.588458  
1 1 1 17  23 3  o 10.56266  0.5988749     138.9317       18.55588  99.56130       16.76099      1.809176       1.197750  
1 1 1 17  23 4  o 5.553948  0.6113399     32.21661       9.274264  34.77264       9.297053      -0.2343771     1.222680  
1 1 1 17  23 5  o 5.887529  0.6493981     39.29495       9.692544  36.54010       11.47696      0.3461395      1.298796  
1 1 1 17  23 6  o 7.764230  0.5266888     63.45943       11.17703  65.59742       11.68766      -0.1144433     1.053378  
1 1 1 17  23 7  o 9.097053  0.5720639     86.92310       15.45680  92.65794       13.79458      -0.4140490     1.144128  
1 1 1 17  23 8  o 3.622432  0.7658280     18.59223       8.211087  12.39314       9.225904      0.6876255      1.531656  
1 1 1 17  23 9  o 5.138528  0.7520247     25.85943       11.98573  37.19616       9.978640      -1.275734      1.504049  
1 1 1 17  23 10 o 3.112933  0.7950799     19.38193       9.620706  2.934304       10.45773      1.310191       1.590160  
1 1 1 17  23 11 o 2.528387  0.7588349     -0.1237501     9.764160  11.35750       10.00526      -0.7340332     1.517670  
1 1 1 17  23 12 o 2.416924  0.7655787     6.089593       11.28420  3.016432       10.34702      0.1995491      1.531157  
1 1 1 17  23 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  23 14 o 2.852412  0.8449153     27.97057       12.81240  8.935035       11.63748      1.041724       1.689831  
1 1 1 17  25 0  o 4.294607  0.7264866     30.26597       9.020545  12.14030       9.721354      1.905157       1.452973  
1 1 1 17  25 1  o 2.794143  0.7665787     12.71940       9.048665  0.1858680      9.588188      0.9377364      1.533157  
1 1 1 17  25 2  o 4.202536  0.7903499     27.69106       9.696671  14.36015       10.45088      1.379705       1.580700  
1 1 1 17  25 3  o 3.783502  0.8721326     15.40155       9.944434  21.68529       11.66183      -0.5508483     1.744265  
1 1 1 17  25 4  o 4.278452  0.8809816     23.50484       10.15430  24.65170       13.09640      0.6775273E-01  1.761963  
1 1 1 17  25 5  o 5.339939  0.8229024     35.72249       11.12290  37.25472       13.45121      0.1112644      1.645805  
1 1 1 17  25 6  o 2.224965  0.7221163     -2.296953      10.03742  -2.126456      10.65489      -0.6528679E-01 1.444233  
1 1 1 17  25 7  o 4.817966  0.8398513     33.14669       11.12464  29.97681       11.72167      0.3826875      1.679703  
1 1 1 17  25 8  o 2.453105  0.7631543     3.355707       9.932762  4.888772       10.59124      -0.1246907     1.526309  
1 1 1 17  25 9  o 2.756795  0.8132935     17.73674       11.49260  2.160925       11.01831      0.9577696      1.626587  
1 1 1 17  25 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  25 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  27 0  o 3.524548  0.8737496     16.59714       10.62610  20.79745       10.98507      -0.3530240     1.747499  
1 1 1 17  27 1  o 2.347173  0.7494314     8.579152       10.39491  -12.28075      13.03618      0.6955171      1.498863  
1 1 1 17  27 2  o 2.883780  0.8424027     10.84696       10.53913  10.71098       11.88952      -0.1015665E-01 1.684805  
1 1 1 17  27 3  o 2.416459  0.7690616     8.718256       10.95606  -4.768411      12.13993      0.5532652      1.538123  
1 1 1 17  27 4  o 2.789071  0.8575358     16.13604       12.93968  3.244547       13.14945      0.6514231      1.715072  
1 1 1 17  27 5  o 2.791476  0.9382550     1.440855       18.32765  18.37275       22.24768      -0.4985825     1.876510  
1 1 1 17  27 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  27 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  27 8  o 2.453154  0.8615285     10.91409       20.49855  -9.587357      27.82214      0.2086432      1.723057  
1 1 1 17  29 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  29 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  29 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 17  29 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  6  o 5.701907  0.4178563     33.07351       4.705060  33.07351       4.705060      ?              ?         
1 1 1 18  0  7  o 5.018334  0.3381867     25.54484       3.358332  25.54484       3.358332      ?              ?         
1 1 1 18  0  8  o 16.38591  0.8670914     272.0100       28.23333  272.0100       28.23333      ?              ?         
1 1 1 18  0  9  o 11.63437  0.6527870     136.9633       15.07934  136.9633       15.07934      ?              ?         
1 1 1 18  0  10 o 22.06340  1.207991      495.1064       52.93706  495.1064       52.93706      ?              ?         
1 1 1 18  0  11 o 50.24472  2.827823      2668.800       282.0920  2668.800       282.0920      ?              ?         
1 1 1 18  0  12 o 2.230303  0.7773579     6.519431       3.133966  6.519431       3.133966      ?              ?         
1 1 1 18  0  13 o 2.640249  0.7547869     8.502128       3.453886  8.502128       3.453886      ?              ?         
1 1 1 18  0  14 o 2.081384  0.8939424     6.211098       3.810751  6.211098       3.810751      ?              ?         
1 1 1 18  0  15 o 15.65958  0.8663731     250.1090       26.94283  250.1090       26.94283      ?              ?         
1 1 1 18  0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  17 o 4.472912  0.6747516     21.55226       5.630581  21.55226       5.630581      ?              ?         
1 1 1 18  0  18 o 3.875155  0.8468135     17.34630       5.747972  17.34630       5.747972      ?              ?         
1 1 1 18  0  19 f 3.638722  0.9358103     16.13618       5.885719  16.13618       5.885719      ?              ?         
1 1 1 18  0  20 o 3.093403  1.060934      13.24174       5.898729  13.24174       5.898729      ?              ?         
1 1 1 18  0  21 o 3.977020  0.9351296     19.65496       6.461801  19.65496       6.461801      ?              ?         
1 1 1 18  0  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  0  23 o 1.378989  0.9180158     1.181910       6.821537  1.181910       6.821537      ?              ?         
1 1 1 18  2  0  o 13.00572  0.4945399     168.8154       18.12513  172.4187       18.12346      -0.1389550     0.9890799 
1 1 1 18  2  1  o 11.60647  0.4475214     133.5544       14.62797  137.9352       14.64047      -0.1892385     0.8950428 
1 1 1 18  2  2  o 21.57573  0.8241212     458.7033       50.06945  490.5104       50.10411      -0.7393578     1.648242  
1 1 1 18  2  3  o 14.57025  0.5584409     205.7723       22.90085  223.2749       22.93108      -0.6026021     1.116882  
1 1 1 18  2  4  o 22.59457  0.8644443     509.1347       55.01001  536.1148       55.04026      -0.5987184     1.728889  
1 1 1 18  2  5  o 7.255744  0.3190381     42.06387       5.365671  65.74796       7.803596      -1.616109      0.6380762 
1 1 1 18  2  6  o 12.61764  0.6661901     138.9218       23.42294  184.6459       23.50011      -1.828545      1.332380  
1 1 1 18  2  7  o 10.54438  0.5919466     91.17455       17.24555  134.7100       17.34759      -2.087330      1.183893  
1 1 1 18  2  8  o 6.264220  0.3962806     29.15377       6.681396  50.78959       6.862493      -1.751018      0.7925611 
1 1 1 18  2  9  o 15.18319  0.8310079     203.4674       35.18343  266.2613       35.25503      -2.088152      1.662016  
1 1 1 18  2  10 o 6.698661  0.4178819     39.80658       7.900825  50.46750       7.707352      -0.8082582     0.8357639 
1 1 1 18  2  11 o 40.87037  2.527127      1820.521       288.7716  2048.675       288.7274      -2.820210      5.054255  
1 1 1 18  2  12 o 13.67581  0.7687531     174.2770       29.43778  207.2763       29.41119      -1.217924      1.537506  
1 1 1 18  2  13 o 13.47496  0.7608235     158.6964       28.51095  213.2167       28.61905      -2.043883      1.521647  
1 1 1 18  2  14 o 13.62499  0.7788386     160.5026       29.44633  222.4037       29.56871      -2.295996      1.557677  
1 1 1 18  2  15 o 2.752327  0.5932199     11.86693       5.851589  3.900093       4.725226      1.147770       1.186440  
1 1 1 18  2  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  2  17 o 11.51694  0.4909182     133.5792       15.86488  140.0359       15.96335      -0.2791471     0.9818364 
1 1 1 18  2  18 o 1.980963  0.5742905     -1.563011      5.341116  4.404206       5.414734      -0.5701169     1.148581  
1 1 1 18  2  19 o 1.671576  0.5347288     -4.536637      5.438515  -0.1313804     5.585712      -0.3212731     1.069458  
1 1 1 18  2  20 o 4.394773  0.5252644     16.22640       6.170331  26.72563       6.334996      -1.215710      1.050529  
1 1 1 18  2  21 o 6.463157  0.4546077     42.00502       8.119134  51.50578       8.216397      -0.7360405     0.9092155 
1 1 1 18  2  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  2  23 o 1.814230  0.5882600     3.862020       6.895192  -0.3075495     6.901786      0.2342235      1.176520  
1 1 1 18  4  0  o 16.27822  0.6154821     262.6038       28.22377  274.0374       28.23649      -0.3521980     1.230964  
1 1 1 18  4  1  o 20.41723  0.7692578     417.7812       44.25585  431.4163       44.26180      -0.3348677     1.538516  
1 1 1 18  4  2  o 8.883036  0.3540240     76.53613       8.826094  82.23757       8.884274      -0.3217150     0.7080480 
1 1 1 18  4  3  o 25.15333  0.9672160     629.4218       68.49693  672.5295       68.55771      -0.8592366     1.934432  
1 1 1 18  4  4  o 27.01348  1.041366      737.9475       79.23061  771.2703       79.27063      -0.6183257     2.082732  
1 1 1 18  4  5  o 34.62240  1.328186      1253.830       129.5751  1274.914       129.5732      -0.3054386     2.656372  
1 1 1 18  4  6  o 7.849678  0.3056753     60.00029       6.758753  63.85597       6.757803      -0.2464684     0.6113506 
1 1 1 18  4  7  o 28.58084  1.061326      842.9587       85.46936  843.1815       85.52175      -0.3341977E-02 2.122651  
1 1 1 18  4  8  o 11.93948  0.4492317     139.0733       15.09339  148.0505       15.12861      -0.3769686     0.8984633 
1 1 1 18  4  9  o 9.408535  0.3706141     78.43576       9.733644  99.62321       9.836807      -1.131232      0.7412281 
1 1 1 18  4  10 o 21.12346  0.8121685     459.6404       48.34493  448.6584       48.33225      0.2606498      1.624337  
1 1 1 18  4  11 o 25.87326  0.9977087     681.1782       72.73701  695.5205       72.72970      -0.2780956     1.995417  
1 1 1 18  4  12 o 14.99246  0.5693247     225.0270       24.06470  230.2344       24.04023      -0.1743888     1.138649  
1 1 1 18  4  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  4  14 o 8.166985  0.3682682     72.84064       8.479481  61.73892       8.414025      0.6830477      0.7365363 
1 1 1 18  4  15 o 15.97211  0.7234503     224.0502       27.25717  313.2638       38.69896      -2.582160      1.446901  
1 1 1 18  4  16 o 6.253413  0.5622979     30.42898       9.596790  50.38109       9.414553      -1.649378      1.124596  
1 1 1 18  4  17 o 10.93273  0.6827129     107.9638       20.79815  145.7402       20.66381      -1.756276      1.365426  
1 1 1 18  4  18 o 4.854675  0.6638694     31.54553       9.294891  20.75543       8.258345      1.069272       1.327739  
1 1 1 18  4  19 o 3.695942  0.6313384     -1.025309      8.954370  28.38821       7.800587      -2.842293      1.262677  
1 1 1 18  4  20 o 1.915269  0.6226048     -13.00066      8.940521  2.447824       7.849948      -0.5885809     1.245210  
1 1 1 18  4  21 o 1.793853  0.6046681     -6.116134      9.335192  -5.348082      7.735876      0.1403620      1.209336  
1 1 1 18  4  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  4  23 o 2.223300  0.7174867     12.81332       10.78701  5.835792       9.367590      0.3251542      1.434973  
1 1 1 18  6  0  o 11.04108  0.4236511     119.6330       13.16825  126.0507       13.18662      -0.2914603     0.8473021 
1 1 1 18  6  1  o 2.017150  0.3713720     5.583692       2.179273  2.495388       2.303700      0.6578774      0.7427439 
1 1 1 18  6  2  o 20.57890  0.7834301     427.3820       45.41867  437.0739       45.44102      -0.2359812     1.566860  
1 1 1 18  6  3  o 4.513709  0.2690518     14.89583       3.349215  26.50402       3.229667      -1.306462      0.5381037 
1 1 1 18  6  4  o 8.005462  0.3413717     61.53107       8.337608  66.78327       7.170713      -0.3391484     0.6827434 
1 1 1 18  6  5  o 47.85021  1.873565      2544.841       252.6152  2497.448       252.5234      0.4950265      3.747130  
1 1 1 18  6  6  o 23.97331  0.9055288     596.0047       61.19001  581.2429       61.15864      0.3084984      1.811058  
1 1 1 18  6  7  o 15.61243  0.5805794     245.4098       25.54775  247.4019       25.54681      -0.6398577E-01 1.161159  
1 1 1 18  6  8  o 18.31327  0.6880150     318.4735       35.42785  360.5172       35.51669      -1.151899      1.376030  
1 1 1 18  6  9  o 14.85959  0.5558590     209.4722       23.21156  235.9147       23.30173      -0.8926572     1.111718  
1 1 1 18  6  10 o 10.46766  0.4034832     107.4635       11.88152  113.1104       11.91453      -0.2704209     0.8069663 
1 1 1 18  6  11 o 12.52960  0.4951702     151.2308       17.46754  165.5521       17.46792      -0.5737789     0.9903404 
1 1 1 18  6  12 o 12.84600  0.5043015     160.2445       18.24904  173.3753       18.23582      -0.5131414     1.008603  
1 1 1 18  6  13 o 4.716492  0.3408956     21.68958       4.518435  23.40326       4.444271      -0.1851524     0.6817912 
1 1 1 18  6  14 o 3.082337  1.231972      ?              ?         5.434458       11.48286      ?              ?         
1 1 1 18  6  15 o 5.347744  0.4364364     27.51962       7.151498  30.55973       5.953148      -0.3184700     0.8728728 
1 1 1 18  6  16 o 2.354229  0.5532387     9.916753       5.026086  -1.616544      5.136686      1.343970       1.106477  
1 1 1 18  6  17 o 1.798102  0.5462121     -4.433739      5.116383  3.244957       5.695889      -0.7144707     1.092424  
1 1 1 18  6  18 o 7.235210  0.4190339     43.30529       8.252142  66.13181       8.510679      -1.586640      0.8380678 
1 1 1 18  6  19 o 2.272855  0.6232563     2.241163       5.768355  6.548852       5.912467      -0.4592791     1.246513  
1 1 1 18  6  20 o 2.930979  0.6651023     10.84668       6.117785  10.37468       6.394150      0.6572391E-01  1.330205  
1 1 1 18  6  21 o 5.951026  0.4933621     42.52197       8.068701  40.35166       8.218250      0.2043937      0.9867243 
1 1 1 18  6  22 o 2.575768  0.6899291     12.44704       6.992420  8.207894       7.017204      0.4193131      1.379858  
1 1 1 18  8  0  o 4.663092  0.2542092     20.91098       3.302032  22.88417       3.347436      -0.2125157     0.5084184 
1 1 1 18  8  1  o 1.822595  0.3813481     5.648217       2.389781  0.2568025E-02  2.513361      1.025296       0.7626962 
1 1 1 18  8  2  o 18.10781  0.7473374     311.9802       35.49380  359.4749       41.07438      -1.262365      1.494675  
1 1 1 18  8  3  o 14.86407  0.5846748     221.5027       26.43524  225.3704       22.90756      -0.1580091     1.169350  
1 1 1 18  8  4  o 6.516786  0.2729382     39.92213       4.958740  45.40478       5.046952      -0.4219455     0.5458764 
1 1 1 18  8  5  o 9.254411  0.3816096     86.88647       10.75933  85.76975       9.291951      0.5073881E-01  0.7632193 
1 1 1 18  8  6  o 9.594773  0.3659785     93.33231       9.897860  91.89862       9.892073      0.7490163E-01  0.7319570 
1 1 1 18  8  7  o 9.455988  0.3693612     88.06557       9.837382  91.80816       9.840286      -0.1985355     0.7387224 
1 1 1 18  8  8  o 26.59345  0.9789127     680.3099       73.19674  766.6129       73.41280      -1.626967      1.957825  
1 1 1 18  8  9  o 9.857851  0.3970225     95.03822       10.97504  100.6155       11.06730      -0.2833169     0.7940450 
1 1 1 18  8  10 o 14.31559  0.5496821     205.4615       22.15942  208.9660       22.18626      -0.1225794     1.099364  
1 1 1 18  8  11 o 17.91425  0.6921518     334.9625       34.96217  318.5121       34.89688      0.4600491      1.384304  
1 1 1 18  8  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  8  13 o 20.41188  0.8015471     435.5531       46.10928  426.6876       46.07547      0.2173384      1.603094  
1 1 1 18  8  14 o 8.758556  0.3972499     74.35188       9.790918  81.06044       9.775423      -0.3851124     0.7944999 
1 1 1 18  8  15 o 2.872098  0.7010957     12.40603       7.133310  0.4049989      8.184108      1.080818       1.402191  
1 1 1 18  8  16 o 13.77333  0.5788728     206.3665       22.42411  189.4120       22.44702      0.6188467      1.157746  
1 1 1 18  8  17 o 8.468868  0.4286576     65.76556       9.969350  82.90531       10.36285      -1.007197      0.8573152 
1 1 1 18  8  18 o 6.398561  0.4351044     41.01182       7.687694  45.40991       7.853289      -0.3395548     0.8702089 
1 1 1 18  8  19 o 3.240860  0.6482590     11.51925       5.998057  13.71157       6.438462      -0.2691236     1.296518  
1 1 1 18  8  20 o 2.105661  0.6211615     6.318634       6.214593  -0.6930868     6.680572      0.5269461      1.242323  
1 1 1 18  8  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  8  22 o 2.537544  0.7050128     12.25952       7.316852  9.911820       7.580557      0.2265123      1.410026  
1 1 1 18  10 0  o 9.859536  0.3775206     100.5176       10.42988  95.03155       10.54285      0.2798878      0.7550412 
1 1 1 18  10 1  o 7.858218  0.3161137     65.57142       6.968823  58.44231       7.012717      0.4559713      0.6322275 
1 1 1 18  10 2  o 21.46599  0.8256696     458.4338       49.90551  481.2263       49.95664      -0.5322019     1.651339  
1 1 1 18  10 3  o 24.88651  0.9345562     624.5446       65.52303  643.7217       65.55968      -0.3861062     1.869112  
1 1 1 18  10 4  o 14.13803  0.5323947     201.4426       21.21512  202.1146       21.21046      -0.2386402E-01 1.064789  
1 1 1 18  10 5  o 14.47069  0.5844230     208.4886       22.28693  215.8641       25.71377      -0.2322562     1.168846  
1 1 1 18  10 6  o 13.74712  0.5259600     205.2799       20.36357  175.5844       20.31916      1.084647       1.051920  
1 1 1 18  10 7  o 26.36114  0.9908953     716.0042       73.60224  708.7225       73.62860      0.1387525      1.981791  
1 1 1 18  10 8  o 15.74292  0.5844947     244.3774       25.88536  256.6711       25.97377      -0.3910425     1.168989  
1 1 1 18  10 9  o 14.49950  0.5619097     207.6495       22.90774  217.6533       22.99575      -0.3454443     1.123819  
1 1 1 18  10 10 o 4.516446  0.3348208     17.73582       4.158092  23.44820       4.217156      -0.6423981     0.6696416 
1 1 1 18  10 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  10 12 f 8.969589  0.3979490     76.91291       10.03537  85.61600       10.03719      -0.4876262     0.7958981 
1 1 1 18  10 13 o 12.75768  0.5246618     163.6885       18.86513  168.3080       18.83254      -0.1821399     1.049324  
1 1 1 18  10 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  10 15 o 8.074873  0.4128760     65.49357       9.345370  67.99551       9.384188      -0.1549775     0.8257520 
1 1 1 18  10 16 o 4.091204  0.5425645     24.04387       6.009774  11.32570       6.207666      1.573382       1.085129  
1 1 1 18  10 17 o 3.684703  0.6110439     16.69175       6.081077  13.33295       6.557237      0.4569634      1.222088  
1 1 1 18  10 18 o 4.799785  0.5250673     27.51180       6.744326  22.98746       7.032219      0.5067191      1.050135  
1 1 1 18  10 19 o 1.881670  0.5890027     -2.478833      6.097813  2.554996       6.547330      -0.4053635     1.178005  
1 1 1 18  10 20 o 2.622524  0.6825210     12.17225       6.772329  5.469467       7.121821      0.6749898      1.365042  
1 1 1 18  10 21 o 2.067333  0.6456646     5.359152       7.265366  2.203093       7.660718      0.1834984      1.291329  
1 1 1 18  10 22 o 1.819992  0.6019957     -3.236366      7.852788  7.058075       8.133512      -0.4839470     1.203991  
1 1 1 18  12 0  o 19.56332  0.7315422     388.9163       40.30438  387.9275       40.36527      0.2578734E-01  1.463084  
1 1 1 18  12 1  o 20.93597  0.7877522     454.4423       46.46218  436.6646       46.48302      0.4260416      1.575504  
1 1 1 18  12 2  o 4.919774  0.2958659     25.22812       3.965289  23.48750       4.196500      0.1811804      0.5917317 
1 1 1 18  12 3  o 22.03976  0.8318653     495.7624       51.66548  493.5073       51.67188      0.5135837E-01  1.663731  
1 1 1 18  12 4  o 11.36278  0.4760543     129.1615       16.50824  130.9971       14.21009      -0.9611078E-01 0.9521086 
1 1 1 18  12 5  o 11.97601  0.4901930     153.9198       15.45475  133.4146       17.74536      0.8779166      0.9803861 
1 1 1 18  12 6  o 8.439070  0.3797257     72.88254       9.738148  70.89369       8.434068      0.1088539      0.7594514 
1 1 1 18  12 7  o 9.441446  0.3823077     91.13190       10.12866  88.37930       10.20316      0.1467856      0.7646154 
1 1 1 18  12 8  f 8.289809  0.3535012     65.20551       8.151548  73.16907       8.334439      -0.4810930     0.7070025 
1 1 1 18  12 9  o 7.439579  0.3483254     54.35807       7.252257  57.26361       7.321079      -0.1955854     0.6966508 
1 1 1 18  12 10 o 24.38179  0.9481332     621.7330       65.12697  614.9567       65.13834      0.1395635      1.896266  
1 1 1 18  12 11 o 19.81637  0.7746324     417.5695       43.26289  393.2429       43.20650      0.6151094      1.549265  
1 1 1 18  12 12 o 12.97290  0.5255337     168.8981       19.20360  174.4751       19.19772      -0.2157802     1.051067  
1 1 1 18  12 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  12 14 o 10.72125  0.4749499     125.4646       14.36539  110.5318       14.26093      0.6978956      0.9498999 
1 1 1 18  12 15 o 9.450868  0.4507442     88.55416       11.88614  96.20917       12.05756      -0.4023493     0.9014884 
1 1 1 18  12 16 o 4.028157  0.5865461     15.69546       6.369899  19.94954       6.552178      -0.5196382     1.173092  
1 1 1 18  12 17 o 4.271001  0.5822157     13.32956       6.663120  27.47646       6.998719      -1.641399      1.164431  
1 1 1 18  12 18 o 2.931971  0.6833870     8.772724       6.309298  12.32164       6.918643      -0.4184101     1.366774  
1 1 1 18  12 19 o 2.124331  0.6357479     6.413932       6.614656  -0.6279850     7.124110      0.4916142      1.271496  
1 1 1 18  12 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  12 21 o 1.995471  0.6296021     10.87199       7.889538  -4.017963      8.214579      0.7962252      1.259204  
1 1 1 18  14 0  o 21.00351  0.8017272     460.3191       47.41446  437.6460       47.46710      0.5419485      1.603454  
1 1 1 18  14 1  o 16.32306  0.6274179     279.6163       28.78158  259.3574       28.90944      0.6237482      1.254836  
1 1 1 18  14 2  o 10.80374  0.4411424     124.1634       13.38903  110.8023       13.43235      0.6214924      0.8822848 
1 1 1 18  14 3  o 12.21837  0.4760901     156.0960       16.38308  144.8462       16.38124      0.4620545      0.9521802 
1 1 1 18  14 4  o 16.71683  0.6425597     289.6889       30.29577  276.7951       30.22785      0.3863780      1.285119  
1 1 1 18  14 5  o 11.23498  0.4759129     150.0623       13.84915  104.4569       15.74846      2.061916       0.9518257 
1 1 1 18  14 6  o 12.69718  0.5029457     169.6986       17.98590  155.9852       17.97444      0.5420452      1.005891  
1 1 1 18  14 7  o 9.611115  0.4095868     96.55144       11.00844  89.72184       11.14863      0.3580702      0.8191736 
1 1 1 18  14 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  14 9  o 2.458313  0.5721601     4.880423       4.646300  6.792612       4.623708      -0.2707552     1.144320  
1 1 1 18  14 10 o 5.962079  0.3967392     39.37228       6.708855  32.83217       6.483004      0.5511170      0.7934783 
1 1 1 18  14 11 o 5.141682  0.4249344     24.91088       6.015210  29.13189       6.082293      -0.4162037     0.8498687 
1 1 1 18  14 12 o 18.53682  1.557047      ?              ?         381.1999       57.19226      ?              ?         
1 1 1 18  14 13 o 9.632322  0.4510627     89.89069       12.17952  100.4820       12.23593      -0.5516676     0.9021254 
1 1 1 18  14 14 o 2.527483  0.6481072     5.363868       6.149892  6.386845       5.824663      -0.8967075E-01 1.296214  
1 1 1 18  14 15 o 5.435809  0.4926638     36.45581       7.402033  25.99372       7.256879      0.9805420      0.9853276 
1 1 1 18  14 16 o 4.539997  0.5888690     21.66614       7.249286  24.60666       7.306762      -0.3256971     1.177738  
1 1 1 18  14 17 o 2.211851  0.6155760     -6.781243      6.892037  10.72781       7.002859      -1.354442      1.231152  
1 1 1 18  14 18 o 3.371408  0.7263362     15.06223       7.467718  15.88142       7.636125      -0.8245175E-01 1.452672  
1 1 1 18  14 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  14 20 o 3.713553  0.7298678     14.03629       8.445782  32.96292       8.962399      -1.885406      1.459736  
1 1 1 18  14 21 o 1.860492  0.6155338     -4.630113      8.507248  12.18851       9.049774      -0.7179707     1.231068  
1 1 1 18  16 0  o 8.216495  0.4696861     67.67232       8.548315  71.38976       17.14871      -0.1216857     0.9393722 
1 1 1 18  16 1  o 2.926642  0.5383180     11.18044       4.319464  5.340936       5.316548      0.8146760      1.076636  
1 1 1 18  16 2  f 8.760396  0.3950298     86.15604       9.650163  68.38613       9.748907      1.022224       0.7900595 
1 1 1 18  16 3  o 9.332891  0.4024754     91.31844       10.57020  84.32835       10.56637      0.3761384      0.8049508 
1 1 1 18  16 4  o 16.19181  0.6373593     278.5332       29.11238  254.6408       28.99991      0.7395485      1.274719  
1 1 1 18  16 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  16 6  o 5.527329  0.3849570     30.37129       5.750843  31.77587       6.147309      -0.1222618     0.7699139 
1 1 1 18  16 7  o 3.492759  0.5708694     15.56234       5.989800  10.36949       5.116513      0.7085751      1.141739  
1 1 1 18  16 8  o 5.669258  0.4187460     32.91887       6.409026  32.65629       6.843255      0.3128327E-01  0.8374920 
1 1 1 18  16 9  f 12.85336  0.5360913     176.1795       19.37715  161.1876       19.40443      0.5861673      1.072183  
1 1 1 18  16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  16 11 o 9.996903  0.4995363     102.4706       15.30738  103.2136       13.03155      -0.8644278E-01 0.9990726 
1 1 1 18  16 12 o 9.260754  0.4580239     82.92696       11.85674  93.82024       11.95788      -0.5893458     0.9160478 
1 1 1 18  16 13 o 2.554879  0.6691352     7.779442       6.683306  4.025368       6.302629      0.4326630      1.338270  
1 1 1 18  16 14 o 2.422908  0.6630662     5.559979       6.768809  4.294705       6.197944      0.1796462      1.326132  
1 1 1 18  16 15 o 3.009241  0.7056662     8.960785       7.174426  11.81214       6.941599      -0.3242708     1.411332  
1 1 1 18  16 16 o 3.015549  0.7284793     13.37988       7.738045  9.258126       7.303702      0.4454469      1.456959  
1 1 1 18  16 17 o 2.981350  0.7034414     4.217973       7.790189  18.65298       7.797863      -1.434600      1.406883  
1 1 1 18  16 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  16 19 o 3.049483  0.7293745     26.56504       8.817597  5.680989       9.277705      1.810524       1.458749  
1 1 1 18  16 20 o 2.083235  0.6790792     5.419734       9.093458  10.76926       9.558756      -0.2493384     1.358158  
1 1 1 18  18 0  o 10.64665  0.4525477     115.9824       13.50465  113.5837       13.62443      0.1142907      0.9050953 
1 1 1 18  18 1  o 7.980137  0.4206939     77.60244       9.079714  51.45557       9.468933      1.661516       0.8413879 
1 1 1 18  18 2  o 12.74043  0.5364652     177.3898       19.05181  151.9244       19.37551      1.008781       1.072930  
1 1 1 18  18 3  o 3.162434  0.6132954     9.724932       5.658528  11.24787       5.657838      -0.2109786     1.226591  
1 1 1 18  18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  18 5  f 11.57440  0.5260608     140.7035       16.08176  131.2248       18.39544      0.4439513      1.052122  
1 1 1 18  18 6  o 15.15183  0.6317887     251.1355       26.87889  220.3216       26.96638      1.023395       1.263577  
1 1 1 18  18 7  o 5.176254  0.6701126     23.23862       10.24130  32.09106       8.929279      -0.9105479     1.340225  
1 1 1 18  18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  18 9  o 7.453685  0.4327258     64.11152       8.976131  49.40717       9.015460      0.9984486      0.8654515 
1 1 1 18  18 10 o 4.271284  0.5883452     14.56487       6.875333  23.99438       6.899141      -1.115096      1.176690  
1 1 1 18  18 11 o 2.709682  0.7106989     7.779506       7.432564  5.596933       7.101594      0.2467288      1.421398  
1 1 1 18  18 12 o 2.645264  0.6957428     3.488465       7.234497  9.050743       7.025330      -0.5371258     1.391486  
1 1 1 18  18 13 f 2.561227  0.7000477     6.336679       7.315057  5.438529       7.098996      0.1021184      1.400095  
1 1 1 18  18 14 o 6.233005  0.5524076     58.17299       9.506993  29.15463       8.794025      2.336555       1.104815  
1 1 1 18  18 15 o 5.315053  0.6229874     30.87087       9.268461  36.12656       8.808152      -0.5623234     1.245975  
1 1 1 18  18 16 o 1.819991  0.6094409     -11.62484      8.648905  0.8060518      8.770977      -0.5095702     1.218882  
1 1 1 18  18 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  18 18 o 3.123411  0.8219697     25.88951       10.28466  15.48347       9.700128      0.7988441      1.643939  
1 1 1 18  20 0  o 7.549521  0.4608060     56.78437       10.14300  59.46571       9.382851      -0.1924857     0.9216121 
1 1 1 18  20 1  o 4.790889  0.5918434     33.06076       6.929080  13.69019       8.730437      2.070327       1.183687  
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  o 4.654110  0.6040429     28.59592       7.392931  16.14962       8.093925      1.381126       1.208086  
1 1 1 18  20 6  o 4.982192  0.5991807     24.72287       7.999687  27.97513       8.269780      -0.3238154     1.198361  
1 1 1 18  20 7  o 5.447005  0.5336338     35.22100       7.862634  26.44515       8.040654      0.8359710      1.067268  
1 1 1 18  20 8  o 4.739068  0.6174376     25.62397       7.962421  22.88235       7.973527      0.2951065      1.234875  
1 1 1 18  20 9  o 2.238222  0.6561031     -3.742298      7.183245  6.405675       7.428652      -0.8079236     1.312206  
1 1 1 18  20 10 f 3.146732  0.6641536     -0.4201594     7.777501  19.28675       7.547248      -1.981715      1.328307  
1 1 1 18  20 11 o 4.364388  0.7120887     27.96215       8.875707  15.91071       8.697122      1.304681       1.424177  
1 1 1 18  20 12 o 3.948076  0.7471250     12.64449       9.197088  24.66921       8.698030      -1.312124      1.494250  
1 1 1 18  20 13 o 2.851926  0.7430695     2.966896       8.757977  14.97702       8.351458      -1.039502      1.486139  
1 1 1 18  20 14 o 6.160327  0.6319118     40.94009       10.78463  51.32483       10.49002      -0.9088531     1.263824  
1 1 1 18  20 15 o 2.305480  0.7176775     -3.313386      10.31149  10.06617       9.167357      -0.6619584     1.435355  
1 1 1 18  20 16 o 1.849980  0.6444269     -17.72660      12.03134  -1.493297      12.21432      -0.3974513     1.288854  
1 1 1 18  22 0  o 9.613489  0.5022846     101.2398       13.53753  89.92311       13.55337      0.5932212      1.004569  
1 1 1 18  22 1  o 6.276228  0.5738797     47.90333       10.33484  35.18247       9.450527      1.003628       1.147759  
1 1 1 18  22 2  f 4.892007  0.7010850     21.32285       8.379924  31.86895       10.47144      -0.9921439     1.402170  
1 1 1 18  22 3  o 4.512249  0.6999671     33.49341       8.785848  8.876388       10.52344      2.445777       1.399934  
1 1 1 18  22 4  f 4.136124  0.6948150     12.31876       8.083723  25.06191       8.395815      -1.427963      1.389630  
1 1 1 18  22 5  o 3.689868  0.7738039     17.21824       8.577772  13.14687       8.880015      0.4444785      1.547608  
1 1 1 18  22 6  o 7.415595  0.5390185     61.85118       10.94879  54.49913       11.31113      0.5184427      1.078037  
1 1 1 18  22 7  o 3.024878  0.7452546     5.118139       8.038118  13.83703       8.242742      -0.8798083     1.490509  
1 1 1 18  22 8  o 13.06584  0.6197291     183.3032       22.54449  191.8076       22.99302      -0.3014577     1.239458  
1 1 1 18  22 9  o 4.201531  0.7968317     16.52840       11.06177  25.38799       9.270865      -0.9785255     1.593663  
1 1 1 18  22 10 o 2.100230  0.6757016     -5.394456      8.833141  0.8408889      8.982401      -0.3380659     1.351403  
1 1 1 18  22 11 o 2.227066  0.6988156     -8.006405      9.479979  7.353106       9.567012      -0.8184293     1.397631  
1 1 1 18  22 12 o 2.626433  0.7618470     15.92390       10.33659  -1.435291      9.706780      1.158977       1.523694  
1 1 1 18  22 13 o 2.465534  0.7639660     0.7863717      11.20759  10.36430       9.926886      -0.4718067     1.527932  
1 1 1 18  22 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  22 15 o 3.433205  0.9134463     34.74691       12.90248  22.93614       11.56313      0.6799623      1.826893  
1 1 1 18  24 0  o 2.612528  0.7457175     9.998727       8.799055  -3.119218      9.605218      0.8634861      1.491435  
1 1 1 18  24 1  o 6.070919  0.6319976     43.95013       10.10528  36.71992       10.95243      0.6680135      1.263995  
1 1 1 18  24 2  o 3.007422  0.7940170     9.106894       9.132830  9.286485       9.011785      -0.9984557E-02 1.588034  
1 1 1 18  24 3  o 3.003664  0.8352408     6.984787       9.777701  10.21423       11.11997      -0.3234169     1.670482  
1 1 1 18  24 4  o 2.394723  0.7477742     0.4996454      10.03977  -0.3159742     9.825121      0.6764331E-01  1.495548  
1 1 1 18  24 5  o 6.167734  0.6689694     37.02042       11.07448  49.52041       11.38646      -1.017802      1.337939  
1 1 1 18  24 6  o 3.040238  0.8170166     4.186622       9.943075  16.03698       10.41303      -0.9582480     1.634033  
1 1 1 18  24 7  o 3.244346  0.8241904     8.116844       9.787023  18.16859       10.14622      -0.8833422     1.648381  
1 1 1 18  24 8  o 1.899191  0.6269540     -20.77153      9.382376  3.900636       10.28721      -1.009359      1.253908  
1 1 1 18  24 9  o 2.840233  0.8026785     17.94449       10.81014  1.049817       10.51610      1.154203       1.605357  
1 1 1 18  24 10 o 3.008268  0.8117594     24.03176       10.93583  -2.962883      12.80259      1.644035       1.623519  
1 1 1 18  24 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  24 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  26 0  o 2.430189  0.7631567     1.892652       10.16967  1.912861       10.82012      -0.5056626E-01 1.526313  
1 1 1 18  26 1  o 2.329176  0.7490739     0.3374950      10.38411  -1.600511      11.27191      0.1768565E-01  1.498148  
1 1 1 18  26 2  f 2.786059  0.8007933     5.406393       9.426639  11.83859       10.59468      -0.5111268     1.601587  
1 1 1 18  26 3  o 1.968578  0.6831133     -14.05139      11.21253  -17.99661      15.04984      -0.2385589     1.366227  
1 1 1 18  26 4  o 3.073792  0.8908780     12.97103       11.52127  11.97080       13.41257      0.4432468E-01  1.781756  
1 1 1 18  26 5  o 2.888294  0.8461326     18.03144       11.89237  1.986129       12.31911      0.9433520      1.692265  
1 1 1 18  26 6  o 2.122487  0.7153302     -0.8216707     11.76408  -10.28130      12.25530      0.2749164      1.430660  
1 1 1 18  26 7  o 2.552946  0.8063250     4.243496       11.46661  9.531993       12.38768      -0.2870902     1.612650  
1 1 1 18  26 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  26 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  26 10 o 2.116362  0.7573254     -7.033892      19.31617  -31.79141      27.81371      0.5278992E-01  1.514651  
1 1 1 18  28 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  28 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  28 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  28 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 18  28 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  1  0  o 16.74911  1.166796      330.7314       45.43031  241.2158       64.11795      3.032761       2.333591  
1 1 1 19  1  1  o 3.832703  0.4761364     14.95963       3.571323  ?              ?             ?              ?         
1 1 1 19  1  2  o 15.84130  0.8682526     229.1842       38.41522  284.5815       38.51741      -1.763904      1.736505  
1 1 1 19  1  3  o 12.27610  0.6939871     130.1594       23.72353  176.4464       23.72981      -1.906296      1.387974  
1 1 1 19  1  4  f 12.00837  0.6764246     133.0414       22.76014  160.0161       22.69415      -1.134554      1.352849  
1 1 1 19  1  5  o 16.39354  0.9058607     254.2144       41.56443  297.9070       41.61215      -1.343573      1.811721  
1 1 1 19  1  6  f 6.938379  0.3999624     43.81849       7.763631  53.19997       7.755529      -0.6829080     0.7999248 
1 1 1 19  1  7  o 10.63744  0.5944078     90.30446       17.40009  139.9355       17.51789      -2.359112      1.188816  
1 1 1 19  1  8  o 8.702145  0.4918323     67.35579       11.90370  85.48538       12.00895      -1.051238      0.9836646 
1 1 1 19  1  9  o 9.330709  0.5343121     72.23820       13.82101  103.8994       13.84946      -1.716622      1.068624  
1 1 1 19  1  10 o 34.18336  1.679536      1264.809       180.5508  1238.089       147.2405      -0.1025296     3.359072  
1 1 1 19  1  11 f 12.45919  0.4887168     151.7342       17.15703  161.3877       17.14163      -0.3888949     0.9774335 
1 1 1 19  1  12 f 16.52814  0.6453491     274.5974       30.04958  280.4069       30.05193      -0.1762833     1.290698  
1 1 1 19  1  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  1  14 o 29.32396  1.193881      930.9116       98.61347  913.7382       98.58405      0.2931884      2.387762  
1 1 1 19  1  15 o 8.316713  0.3744331     77.70856       8.775490  62.21783       8.689658      0.9363162      0.7488662 
1 1 1 19  1  16 o 6.638865  0.3713779     47.23792       6.895924  42.34498       6.923660      0.3719339      0.7427558 
1 1 1 19  1  17 o 7.454940  0.3866580     56.06765       8.092194  57.78318       8.098767      -0.1155656     0.7733159 
1 1 1 19  1  18 o 2.678631  0.6171913     8.723436       5.366672  6.307484       5.448189      0.3169192      1.234383  
1 1 1 19  1  19 o 6.827791  0.4182748     44.44385       7.952706  53.61657       7.997310      -0.6769498     0.8365497 
1 1 1 19  1  20 o 3.058663  0.6427643     10.38829       5.937070  12.22910       6.021676      -0.2408686     1.285529  
1 1 1 19  1  21 o 3.950855  0.5957863     20.53307       6.462524  18.15364       6.451445      0.2978604      1.191573  
1 1 1 19  1  22 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  1  23 o 2.074859  0.6219150     11.69331       6.928842  0.5807704      6.910107      0.8034438      1.243830  
1 1 1 19  3  0  o 6.596251  0.2750838     39.95531       5.116755  47.37135       5.082240      -0.5655212     0.5501677 
1 1 1 19  3  1  o 14.28461  0.5420342     192.6750       21.76733  219.4274       21.82172      -0.9399063     1.084068  
1 1 1 19  3  2  o 10.63343  0.4021153     117.1075       12.06329  110.6194       12.03002      0.3058476      0.8042307 
1 1 1 19  3  3  o 20.48084  0.7910492     424.5472       45.64283  432.0338       45.65503      -0.1832189     1.582098  
1 1 1 19  3  4  o 19.23962  0.7839807     387.0233       45.90365  371.1299       39.71374      0.3534885      1.567961  
1 1 1 19  3  5  o 20.38074  0.7796324     417.5366       44.76461  430.0915       44.77753      -0.3088409     1.559265  
1 1 1 19  3  6  o 21.54051  0.8139970     477.2134       49.41709  470.1929       49.40719      0.1633471      1.627994  
1 1 1 19  3  7  o 18.84831  0.7090479     362.7392       37.66616  358.7377       37.66103      0.1064156      1.418096  
1 1 1 19  3  8  o 5.927853  0.2692479     35.53914       4.503405  35.14822       4.477520      0.3291198E-01  0.5384958 
1 1 1 19  3  9  o 6.598188  0.2879764     43.47796       5.312430  44.09164       5.384410      -0.4617592E-01 0.5759528 
1 1 1 19  3  10 o 20.44242  0.8993230     389.5214       43.94131  477.9608       62.23687      -1.992190      1.798646  
1 1 1 19  3  11 o 10.89815  0.6156784     108.6274       18.84489  131.9073       18.69212      -1.080116      1.231357  
1 1 1 19  3  12 o 9.485761  0.5578483     76.04515       14.75857  106.3984       14.63647      -1.621497      1.115697  
1 1 1 19  3  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  3  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  3  15 o 14.48327  0.8463589     197.6146       34.26631  243.0558       34.22266      -1.586483      1.692718  
1 1 1 19  3  16 o 12.43813  0.7578261     135.7344       26.10382  191.2406       26.16451      -2.259422      1.515652  
1 1 1 19  3  17 o 5.175909  0.5907081     29.71564       8.489620  27.62574       8.215243      0.1946210      1.181416  
1 1 1 19  3  18 o 7.482779  0.5836513     52.84644       12.45203  66.59520       11.73626      -0.9739825     1.167303  
1 1 1 19  3  19 o 5.444613  0.6627948     22.43203       10.29161  44.41698       9.336596      -2.133193      1.325590  
1 1 1 19  3  20 o 3.585275  0.6080047     1.185690       9.324960  24.98006       6.513539      -2.416353      1.216009  
1 1 1 19  3  21 o 1.563509  0.5211357     -0.6539405     6.207389  -7.904969      6.095348      0.3760049      1.042271  
1 1 1 19  3  22 o 1.961031  0.6366665     2.979199       8.467531  -0.1077167     7.672120      0.2131212      1.273333  
1 1 1 19  3  23 o 1.714077  0.5680189     4.173892       7.075509  -3.263007      7.094734      0.3577211      1.136038  
1 1 1 19  5  0  o 14.54394  0.5539348     204.6008       22.67415  223.0441       22.70578      -0.6361425     1.107870  
1 1 1 19  5  1  o 9.126678  0.3610181     81.05130       9.264553  86.59393       9.293130      -0.3045582     0.7220362 
1 1 1 19  5  2  o 11.51318  0.4503850     128.4664       14.58627  138.8116       14.61833      -0.4507157     0.9007701 
1 1 1 19  5  3  o 29.38405  1.230587      873.9556       109.8741  928.1095       95.21986      -1.133733      2.461174  
1 1 1 19  5  4  o 32.81199  1.264965      1076.156       116.8107  1180.193       116.9366      -1.589767      2.529929  
1 1 1 19  5  5  f 4.906165  0.2548569     21.41710       3.449444  27.00716       3.550247      -0.5732343     0.5097139 
1 1 1 19  5  6  o 50.94481  2.055170      2876.050       294.9477  2892.101       294.8659      -0.1596379     4.110340  
1 1 1 19  5  7  o 12.70655  0.4885895     161.6983       17.48535  163.9900       17.50118      -0.9035119E-01 0.9771791 
1 1 1 19  5  8  o 20.76070  0.7763083     426.9366       45.38421  448.8324       45.44131      -0.5285586     1.552617  
1 1 1 19  5  9  o 17.78900  0.6617635     298.1770       33.07956  341.8950       33.19573      -1.233011      1.323527  
1 1 1 19  5  10 o 26.02579  0.9971893     678.9044       73.08045  712.3876       73.15018      -0.6446883     1.994379  
1 1 1 19  5  11 o 10.67960  0.4262360     112.7078       12.82516  117.2516       12.81673      -0.2135293     0.8524721 
1 1 1 19  5  12 o 13.44410  0.5285592     184.9469       20.03564  181.1827       20.00207      0.1401483      1.057118  
1 1 1 19  5  13 f 10.52141  0.4346911     106.9745       12.87090  116.7674       12.87290      -0.4673503     0.8693821 
1 1 1 19  5  14 o 2.893514  0.5345732     5.441483       5.228269  10.86397       4.227074      -0.7661455     1.069146  
1 1 1 19  5  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  5  16 o 15.52861  0.6255329     253.5088       27.35175  249.8675       27.36839      0.1180528      1.251066  
1 1 1 19  5  17 o 10.24761  0.4508708     96.43738       12.90097  120.5560       13.01353      -1.181162      0.9017415 
1 1 1 19  5  18 o 5.212790  0.4431660     27.23370       6.274162  30.16136       6.524887      -0.2736076     0.8863319 
1 1 1 19  5  19 o 5.738516  0.4486745     33.72589       7.028218  37.10777       7.286442      -0.2827393     0.8973489 
1 1 1 19  5  20 o 2.327821  0.6689891     5.795854       6.146332  3.204243       8.058587      0.7980072E-01  1.337978  
1 1 1 19  5  21 o 4.880032  0.7056116     57.41933       11.34553  12.64770       9.554317      3.859858       1.411223  
1 1 1 19  5  22 o 1.961593  0.6505740     6.930916       10.27485  -4.316627      8.515745      0.5728095      1.301148  
1 1 1 19  7  0  o 17.46877  0.6651162     301.3045       32.71712  318.3129       32.74884      -0.4881583     1.330232  
1 1 1 19  7  1  o 2.195585  0.4105509     4.627368       2.536791  5.409701       2.644729      -0.1632433     0.8211018 
1 1 1 19  7  2  o 16.73729  0.6478633     276.7481       30.52530  291.6375       30.56579      -0.4459593     1.295727  
1 1 1 19  7  3  o 11.79132  0.4547341     137.3531       15.07029  143.0816       15.14203      -0.2431964     0.9094682 
1 1 1 19  7  4  f 26.64092  1.014350      704.9724       76.08682  756.3362       76.15278      -0.9666675     2.028700  
1 1 1 19  7  5  o 7.045188  0.2909275     54.37045       5.833457  45.37859       5.687839      0.6402834      0.5818551 
1 1 1 19  7  6  o 10.66959  0.4469175     123.7630       12.48746  104.0186       14.43456      0.9463402      0.8938350 
1 1 1 19  7  7  o 13.31902  0.4972252     180.1255       18.66754  177.6193       18.66180      0.9431617E-01  0.9944504 
1 1 1 19  7  8  o 13.64046  0.5062913     178.7261       19.42441  196.2103       19.48050      -0.6428439     1.012583  
1 1 1 19  7  9  o 6.666068  0.2955512     40.55191       5.464133  48.77314       5.601314      -0.6191016     0.5911023 
1 1 1 19  7  10 o 18.18643  0.6846369     322.0927       35.02626  349.2131       35.11820      -0.7474933     1.369274  
1 1 1 19  7  11 o 15.23556  0.5974408     232.8492       25.63533  238.1939       25.65104      -0.1758256     1.194882  
1 1 1 19  7  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  7  13 o 7.895802  0.3680823     58.35548       8.169079  67.44583       8.155462      -0.5793930     0.7361645 
1 1 1 19  7  14 o 8.822464  0.4007343     76.85030       9.981993  80.95872       9.907226      -0.2348890     0.8014687 
1 1 1 19  7  15 o 6.242866  0.4145068     41.75345       6.777658  37.34105       7.771036      0.3795033      0.8290136 
1 1 1 19  7  16 o 3.443006  0.5575778     10.38269       5.292020  14.87937       5.394379      -0.6298269     1.115156  
1 1 1 19  7  17 f 5.163462  0.4525774     26.98305       6.372770  29.02590       6.560159      -0.1934328     0.9051547 
1 1 1 19  7  18 o 1.507548  0.4843357     2.004756       5.532766  -15.55511      5.795435      0.8617546      0.9686713 
1 1 1 19  7  19 o 2.776935  0.6534622     9.491138       5.932193  8.412456       6.101396      0.1326865      1.306924  
1 1 1 19  7  20 o 4.852697  0.5404812     24.43700       6.949442  30.68739       7.347394      -0.6130626     1.080962  
1 1 1 19  7  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  7  22 o 2.056478  0.6336630     8.287992       7.058201  1.759575       7.183371      0.4436061      1.267326  
1 1 1 19  9  0  o 22.97842  0.8884875     552.6142       57.52388  527.7866       57.50463      0.5418433      1.776975  
1 1 1 19  9  1  o 5.354250  0.2806343     29.59410       4.092142  28.05029       4.357519      0.1477505      0.5612686 
1 1 1 19  9  2  o 19.94848  0.7569190     395.6690       42.52664  413.7543       42.56000      -0.4544637     1.513838  
1 1 1 19  9  3  o 26.85868  1.095034      719.0672       89.38635  764.4810       77.47785      -0.9789627     2.190069  
1 1 1 19  9  4  o 12.77596  0.4699118     155.3130       16.90642  173.3280       16.91001      -0.7076626     0.9398235 
1 1 1 19  9  5  o 11.45483  0.4467068     140.4047       14.45085  123.7004       14.35139      0.7316170      0.8934135 
1 1 1 19  9  6  o 18.98383  0.7107173     371.5238       38.03534  359.2480       38.00758      0.3240939      1.421435  
1 1 1 19  9  7  o 24.69882  0.9215161     639.3953       64.14764  606.9465       64.11784      0.6587031      1.843032  
1 1 1 19  9  8  o 13.23725  0.5040429     163.8799       18.72949  189.2981       18.82250      -0.9636176     1.008086  
1 1 1 19  9  9  o 9.591126  0.3836173     89.45354       10.31012  95.77763       10.41082      -0.3302021     0.7672346 
1 1 1 19  9  10 o 18.09186  0.7010428     315.4331       35.65374  350.7732       35.76025      -0.9795892     1.402086  
1 1 1 19  9  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  9  12 o 12.59513  0.5082920     158.4890       18.04411  163.6299       18.01716      -0.2050842     1.016584  
1 1 1 19  9  13 o 17.49191  0.6995703     322.7325       34.48220  308.8506       34.44474      0.3975758      1.399141  
1 1 1 19  9  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  9  15 o 7.696798  0.4020294     51.43754       8.666364  69.45321       8.590178      -1.183457      0.8040588 
1 1 1 19  9  16 o 7.411376  0.4037378     60.32300       8.391552  52.66510       8.379860      0.5204407      0.8074755 
1 1 1 19  9  17 o 6.049645  0.4409748     36.97255       7.299191  40.05928       7.573467      -0.2462094     0.8819495 
1 1 1 19  9  18 o 3.023524  0.6530114     10.25391       6.030039  10.99627       6.169370      -0.9516993E-01 1.306023  
1 1 1 19  9  19 o 1.715884  0.5363919     -10.31252      5.940468  4.833232       6.407082      -0.9766120     1.072784  
1 1 1 19  9  20 o 1.939490  0.6041058     2.905164       6.300718  -0.3278211     6.704888      0.1856717      1.208212  
1 1 1 19  9  21 o 3.827851  0.7220900     24.54949       7.602462  19.97522       8.989064      0.7696283      1.444180  
1 1 1 19  9  22 o 1.929445  0.6225526     1.067067       7.429019  7.464286       7.865440      -0.3642314     1.245105  
1 1 1 19  11 0  o 17.50026  0.6596167     309.7654       32.49595  310.5959       32.56785      -0.2329805E-01 1.319233  
1 1 1 19  11 1  o 22.25452  0.8509263     504.3779       53.34274  505.4053       53.38227      -0.2283067E-01 1.701853  
1 1 1 19  11 2  o 9.462311  0.4099727     89.19274       10.18644  91.55785       11.83619      -0.1144057     0.8199454 
1 1 1 19  11 3  o 31.99271  1.150988      998.6162       103.6409  1111.988       103.8053      -1.776575      2.301976  
1 1 1 19  11 4  o 3.995758  0.3382576     19.04655       4.064178  13.63406       3.424789      0.6760638      0.6765151 
1 1 1 19  11 5  o 10.04100  0.3896965     111.0715       11.06836  91.68777       10.92915      0.9689599      0.7793931 
1 1 1 19  11 6  o 10.06526  0.4133543     103.6341       12.66877  100.8651       10.95062      0.1267710      0.8267087 
1 1 1 19  11 7  o 12.28696  0.4664327     160.7555       16.13708  143.3602       16.13440      0.7107081      0.9328653 
1 1 1 19  11 8  o 21.50340  0.8232816     465.5548       49.83812  480.1054       49.92455      -0.3385282     1.646563  
1 1 1 19  11 9  o 14.64761  0.5700235     205.8214       23.44369  228.8382       23.56781      -0.7877375     1.140047  
1 1 1 19  11 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  11 11 o 8.568557  0.3903301     77.26398       9.429046  71.13033       9.379296      0.3591556      0.7806602 
1 1 1 19  11 12 o 4.612443  0.4130342     21.99935       5.263857  21.64432       5.271351      0.3934240E-01  0.8260685 
1 1 1 19  11 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  11 14 f 4.625931  0.4739528     15.73660       5.991005  28.35303       5.784390      -1.418211      0.9479056 
1 1 1 19  11 15 o 7.379960  0.4123278     54.21143       8.605906  57.88041       8.462347      -0.2542242     0.8246555 
1 1 1 19  11 16 f 3.270702  0.6249443     10.73887       5.930744  13.04411       5.939448      -0.3117867     1.249889  
1 1 1 19  11 17 o 2.209425  0.6297113     1.633976       5.995153  5.105381       6.253386      -0.3551047     1.259423  
1 1 1 19  11 18 o 3.075607  0.6800200     10.81152       6.466186  12.30156       6.682085      -0.1792627     1.360040  
1 1 1 19  11 19 o 1.376283  0.4799984     -10.69043      6.453067  -12.47691      6.984250      -0.1921473E-01 0.9599967 
1 1 1 19  11 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  11 21 o 3.997372  0.6096083     7.205063       8.014575  42.85843       8.424041      -3.485383      1.219217  
1 1 1 19  13 0  o 17.15820  0.6334352     303.9503       30.59184  291.6882       30.66804      0.3589132      1.266870  
1 1 1 19  13 1  o 18.01316  0.7868770     354.7546       39.85148  304.6936       39.80910      1.397059       1.573754  
1 1 1 19  13 2  o 24.31332  1.020346      607.2109       65.33362  608.2663       75.45734      0.7803816E-01  2.040692  
1 1 1 19  13 3  o 39.30653  1.376635      1674.828       152.5678  1562.273       152.4530      1.434649       2.753269  
1 1 1 19  13 4  o 24.46849  0.9617877     634.6177       71.62524  598.6365       61.96108      0.6413673      1.923575  
1 1 1 19  13 5  o 10.52061  0.4142501     120.1540       12.30718  102.6377       12.20870      0.8356650      0.8285002 
1 1 1 19  13 6  o 14.29771  0.5510055     214.4437       22.21668  198.9795       22.16029      0.5422972      1.102011  
1 1 1 19  13 7  o 12.30955  0.4803072     146.2627       16.61588  159.7493       16.68007      -0.5493869     0.9606144 
1 1 1 19  13 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  13 9  o 10.20204  0.4260761     95.97511       12.08899  114.3641       12.34362      -0.9033417     0.8521523 
1 1 1 19  13 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  13 11 o 22.61145  0.8792219     549.7276       56.01731  525.5214       55.98855      0.5364465      1.758444  
1 1 1 19  13 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  13 13 o 3.881011  0.5418608     8.578882       5.885690  23.11708       5.882094      -1.839894      1.083722  
1 1 1 19  13 14 o 2.258914  0.6185670     1.860489       5.834880  5.314888       5.604160      -0.3348270     1.237134  
1 1 1 19  13 15 o 2.500595  0.6254191     1.793860       6.235886  9.034498       5.578231      -0.7546456     1.250838  
1 1 1 19  13 16 o 7.230753  0.4517430     52.85396       9.111876  58.07987       9.159644      -0.3623377     0.9034861 
1 1 1 19  13 17 o 4.632474  0.5817532     30.49020       7.372272  18.20448       7.277824      1.350266       1.163506  
1 1 1 19  13 18 o 1.676903  0.5603451     -4.650706      7.013400  -5.200462      6.974593      0.3055418E-01  1.120690  
1 1 1 19  13 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  13 20 o 3.053399  0.7529532     12.68535       7.826032  20.52307       8.485490      -0.7146631     1.505906  
1 1 1 19  13 21 o 1.777452  0.5996818     -1.120922      8.201620  3.463464       8.631340      -0.1988909     1.199364  
1 1 1 19  15 0  o 2.271720  0.5561144     3.607979       4.146705  5.888437       4.639003      -0.3732978     1.112229  
1 1 1 19  15 1  o 8.825131  0.3841608     85.42819       9.373168  71.08276       9.670774      0.8204728      0.7683217 
1 1 1 19  15 2  o 15.13096  0.6405642     222.4945       25.46813  244.6635       29.45803      -0.6984790     1.281128  
1 1 1 19  15 3  o 13.64711  0.5151328     199.1391       19.82416  177.0579       19.76198      0.8117329      1.030266  
1 1 1 19  15 4  o 11.94554  0.5024570     143.8704       18.28122  144.7953       15.79013      -0.6025837E-01 1.004914  
1 1 1 19  15 5  o 16.55639  0.6468483     315.9087       30.11391  242.2749       29.91886      2.233717       1.293697  
1 1 1 19  15 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  15 7  o 2.293830  0.5386924     10.70332       5.467165  -3.350951      4.680688      1.691260       1.077385  
1 1 1 19  15 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  15 9  o 9.338176  0.4193637     84.14159       10.89305  92.71357       11.13140      -0.4581663     0.8387274 
1 1 1 19  15 10 o 2.980314  0.8707544     4.861193       11.39257  1.954726       12.57883      0.6707842E-01  1.741509  
1 1 1 19  15 11 o 10.74281  0.4718723     128.9029       14.32666  107.0703       14.14116      1.018726       0.9437447 
1 1 1 19  15 12 o 7.899297  0.4339922     65.56348       9.677870  62.70581       9.560251      0.1793152      0.8679844 
1 1 1 19  15 13 o 5.498888  0.4830962     28.45650       7.298751  34.72595       7.348907      -0.5803356     0.9661924 
1 1 1 19  15 14 o 1.790505  0.5703554     0.9068727      6.534449  -6.216210      6.141124      0.5127776      1.140711  
1 1 1 19  15 15 o 5.313542  0.5160019     31.03684       7.733257  30.54329       7.380095      0.2436899E-01  1.032004  
1 1 1 19  15 16 o 2.074001  0.6344175     -1.444433      7.091727  3.480284       6.809533      -0.3210416     1.268835  
1 1 1 19  15 17 o 2.312480  0.6311249     -8.067660      7.558890  13.48886       7.489425      -1.556881      1.262250  
1 1 1 19  15 18 o 3.860332  0.9088615     40.40408       12.93165  12.03237       15.86555      2.139969       1.817723  
1 1 1 19  15 19 o 3.698613  0.7370608     31.22410       8.855906  13.72952       8.904724      1.808206       1.474122  
1 1 1 19  15 20 o 1.816316  0.6118232     5.734665       8.585207  -4.631476      9.272026      0.3611497      1.223646  
1 1 1 19  17 0  o 8.648610  0.6754676     67.81026       13.70948  90.16475       19.85792      -1.194441      1.350935  
1 1 1 19  17 1  o 14.73445  0.7219861     267.7992       32.90941  181.9962       26.91239      2.847956       1.443972  
1 1 1 19  17 2  o 4.035666  0.5341341     25.13087       5.647287  8.181087       6.408068      2.068467       1.068268  
1 1 1 19  17 3  o 6.486904  0.3982724     51.54358       7.236441  33.89798       7.042512      1.375715       0.7965447 
1 1 1 19  17 4  o 3.463000  0.5887971     9.405194       6.409814  14.80760       5.425406      -0.7166697     1.177594  
1 1 1 19  17 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  17 6  o 14.08093  0.5767468     193.4938       22.74891  211.5367       22.96645      -0.6403101     1.153494  
1 1 1 19  17 7  o 12.03110  0.5122950     148.4491       17.29099  146.9407       17.41352      0.6466615E-01  1.024590  
1 1 1 19  17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  17 9  o 7.168179  0.4266507     59.51358       8.482996  45.18899       8.556520      1.012865       0.8533015 
1 1 1 19  17 10 o 6.981472  0.4410087     46.72787       8.550966  53.40681       8.656126      -0.4806196     0.8820175 
1 1 1 19  17 11 o 7.341736  0.4523150     54.87370       9.324569  56.79081       9.270861      -0.1331894     0.9046299 
1 1 1 19  17 12 o 5.841709  0.5131161     32.01274       8.219574  39.98082       8.294347      -0.6938048     1.026232  
1 1 1 19  17 13 o 2.675924  0.6921901     10.73539       7.216932  2.825230       7.078158      0.8025329      1.384380  
1 1 1 19  17 14 o 2.248698  0.6664817     1.180166       7.364197  3.938802       6.997356      -0.1782536     1.332963  
1 1 1 19  17 15 o 3.222300  0.6486639     23.39228       7.884721  0.1980797      7.420403      2.350204       1.297328  
1 1 1 19  17 16 o 4.995330  0.6483551     37.46336       9.094792  24.55473       8.504762      1.237103       1.296710  
1 1 1 19  17 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  17 18 o 2.671796  0.7680925     15.03435       9.359198  10.96402       8.914280      0.2882659      1.536185  
1 1 1 19  17 19 o 2.877687  0.8094847     24.99352       10.17653  16.76035       9.998817      0.5913076      1.618969  
1 1 1 19  19 0  o 6.755288  0.4400044     47.90095       8.182598  45.04687       8.441880      0.2176994      0.8800088 
1 1 1 19  19 1  o 5.476177  0.5680832     33.14339       8.587068  29.08874       8.460765      0.3757140      1.136166  
1 1 1 19  19 2  o 6.948085  0.5258431     62.39223       8.677459  35.73401       10.78074      2.017762       1.051686  
1 1 1 19  19 3  o 2.670745  0.6805757     3.468384       6.647841  8.764193       6.797576      -0.5826388     1.361151  
1 1 1 19  19 4  o 7.575316  0.5482844     49.60108       14.31959  65.11518       9.547131      -1.169300      1.096569  
1 1 1 19  19 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  19 6  o 10.51561  0.5819469     106.2132       16.85982  122.6523       17.43530      -0.7747948     1.163894  
1 1 1 19  19 7  o 6.221412  0.4817875     38.81813       8.154569  41.36298       8.530251      -0.1970580     0.9635750 
1 1 1 19  19 8  f 12.50792  0.5501956     168.1559       19.29370  157.1249       19.42742      0.4465342      1.100391  
1 1 1 19  19 9  o 3.411735  0.6621892     19.51833       7.158782  3.981218       7.654181      1.725439       1.324378  
1 1 1 19  19 10 o 10.05393  0.4937735     98.06003       13.82661  113.6340       14.03645      -0.7721481     0.9875470 
1 1 1 19  19 11 o 2.400275  0.6868424     8.157470       7.848722  -1.625032      7.519956      0.8176765      1.373685  
1 1 1 19  19 12 o 4.952698  0.6563058     20.00096       9.030974  35.33051       8.803312      -1.586411      1.312612  
1 1 1 19  19 13 o 2.935604  0.7576520     9.760941       8.406329  10.31664       7.976118      -0.4444460E-01 1.515304  
1 1 1 19  19 14 o 2.374024  0.6811112     -5.574624      8.505356  12.04436       8.178909      -1.189363      1.362222  
1 1 1 19  19 15 o 3.147455  0.6579285     29.87389       9.427897  -7.611342      8.510061      2.963728       1.315857  
1 1 1 19  19 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  19 17 o 3.447545  0.8557556     27.37767       10.66569  22.16381       10.07146      0.3681346      1.711511  
1 1 1 19  21 0  o 17.85924  0.7266005     342.8019       36.51716  331.2455       36.57032      0.3261790      1.453201  
1 1 1 19  21 1  o 6.326753  0.5987317     45.19384       11.13398  39.51485       9.838648      0.4136920      1.197463  
1 1 1 19  21 2  o 7.332242  0.5208585     68.73844       10.24019  42.51958       10.57464      1.833811       1.041717  
1 1 1 19  21 3  o 7.954551  0.4883095     69.08598       10.57437  61.13524       11.17668      0.5207327      0.9766191 
1 1 1 19  21 4  o 2.875055  0.7115427     15.42931       8.635903  -1.635789      7.756714      1.629185       1.423085  
1 1 1 19  21 5  o 4.886435  0.6199191     19.62042       8.330444  30.98954       8.181915      -1.198548      1.239838  
1 1 1 19  21 6  o 10.56519  0.5414780     115.5390       15.85393  118.9947       16.29482      -0.1497321     1.082956  
1 1 1 19  21 7  o 10.91838  0.5340447     133.9280       16.26151  116.9493       16.47413      0.7908719      1.068089  
1 1 1 19  21 8  o 8.491783  0.5116978     79.03599       12.10781  73.80727       12.22684      0.3156107      1.023396  
1 1 1 19  21 9  o 3.229044  0.7973829     12.77858       8.438365  10.22011       9.734399      0.2111932      1.594766  
1 1 1 19  21 10 o 3.836112  0.7729281     14.91868       8.908547  20.84365       8.877116      -0.6477364     1.545856  
1 1 1 19  21 11 o 2.846501  0.7794430     9.223205       8.868071  8.465330       9.024035      0.5838970E-01  1.558886  
1 1 1 19  21 12 o 2.009058  0.6613023     2.254797       9.855167  -10.74547      9.286868      0.6152706      1.322605  
1 1 1 19  21 13 o 4.430160  0.7952860     21.28701       10.71848  33.92631       10.07768      -1.354893      1.590572  
1 1 1 19  21 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  21 15 f 1.988909  0.6679060     -10.06888      11.25289  5.945732       10.13891      -0.4917187     1.335812  
1 1 1 19  23 0  o 10.05953  0.5461429     110.7711       15.40721  103.7736       15.41982      0.3506496      1.092286  
1 1 1 19  23 1  o 5.290341  0.6920874     38.75019       9.717315  22.26270       10.42696      1.621831       1.384175  
1 1 1 19  23 2  o 2.695397  0.7770222     7.239832       8.866331  0.9178293      10.26643      0.3276569      1.554044  
1 1 1 19  23 3  o 4.697677  0.8935089     20.35267       9.750137  36.88158       15.75775      -1.258184      1.787018  
1 1 1 19  23 4  o 2.406462  0.7190758     -8.280960      9.477445  8.584280       9.320868      -1.014828      1.438152  
1 1 1 19  23 5  o 2.086469  0.6831279     -2.886726      9.325635  -8.675027      9.926720      0.1865574      1.366256  
1 1 1 19  23 6  o 5.879568  0.6879510     53.12119       10.61879  25.39636       11.09192      2.451576       1.375902  
1 1 1 19  23 7  o 5.586076  0.7160321     34.90635       10.65907  38.77632       11.12988      -0.3101118     1.432064  
1 1 1 19  23 8  o 4.524526  0.7348034     34.28337       9.382324  14.86691       10.43151      2.020653       1.469607  
1 1 1 19  23 9  o 5.372245  0.7405437     40.18874       10.82800  31.61259       10.89020      0.8164212      1.481087  
1 1 1 19  23 10 o 6.767523  0.6586113     62.42928       11.90773  48.93867       12.48652      1.104392       1.317223  
1 1 1 19  23 11 o 4.832281  0.8491505     37.25534       11.42995  32.09594       11.81642      0.5635738      1.698301  
1 1 1 19  23 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  23 13 o 2.012670  0.6899384     -2.627115      12.64025  -4.126999      11.75175      0.8725637E-01  1.379877  
1 1 1 19  25 0  o 2.278879  0.6860862     -21.60613      9.840423  13.26614       11.05783      -1.730748      1.372172  
1 1 1 19  25 1  o 2.298473  0.7287515     -10.06968      10.13483  6.916424       11.18169      -0.9174817     1.457503  
1 1 1 19  25 2  o 2.248329  0.7197967     -6.871305      10.39328  2.741313       9.777494      -0.4090723     1.439593  
1 1 1 19  25 3  o 7.743324  0.8018143     82.63585       15.63562  64.24557       18.53461      1.577136       1.603629  
1 1 1 19  25 4  o 3.067149  0.8725586     9.525517       10.74030  12.93753       12.59226      -0.2818018     1.745117  
1 1 1 19  25 5  o 3.777372  0.9211681     23.77851       11.89716  17.65845       12.28517      0.5347599      1.842336  
1 1 1 19  25 6  o 2.778318  0.8394608     11.96206       11.45891  2.705819       12.56376      0.4778818      1.678922  
1 1 1 19  25 7  o 2.814268  0.8331503     9.229915       10.25404  10.59307       12.15393      -0.1245763     1.666301  
1 1 1 19  25 8  o 3.581860  0.9455270     24.88551       13.43778  21.00811       12.33700      0.2123893      1.891054  
1 1 1 19  25 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  25 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  25 11 o 3.332442  0.9489434     29.37050       13.09354  28.18575       14.73117      0.2683732      1.897887  
1 1 1 19  27 0  o 2.691953  0.8370295     7.747583       11.97282  9.396774       12.68092      -0.1012241     1.674059  
1 1 1 19  27 1  o 2.432178  0.7396516     20.27757       12.14205  -29.27363      13.90505      1.709680       1.479303  
1 1 1 19  27 2  o 2.295004  0.7584912     -3.048359      11.89584  3.609557       12.63063      -0.2929383     1.516982  
1 1 1 19  27 3  o 2.615157  0.8032694     -15.47009      14.15585  24.09406       13.73668      -1.567576      1.606539  
1 1 1 19  27 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  27 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  27 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 19  27 7  o 2.863009  0.9777684     42.29094       22.32686  11.41843       31.31264      0.7183109      1.955537  
1 1 1 20  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  6  o 3.662937  0.4441413     14.01430       3.126545  14.01430       3.126545      ?              ?         
1 1 1 20  0  7  o 19.89628  1.062415      401.9459       41.99908  401.9459       41.99908      ?              ?         
1 1 1 20  0  8  o 36.57882  1.983419      1379.628       144.1208  1379.628       144.1208      ?              ?         
1 1 1 20  0  9  o 15.14935  0.8064050     232.2793       24.27390  232.2793       24.27390      ?              ?         
1 1 1 20  0  10 o 16.53666  0.9044421     277.2391       29.70697  277.2391       29.70697      ?              ?         
1 1 1 20  0  11 o 26.51601  1.454785      719.6693       76.61565  719.6693       76.61565      ?              ?         
1 1 1 20  0  12 o 8.848515  0.5439190     79.37359       9.541505  79.37359       9.541505      ?              ?         
1 1 1 20  0  13 o 27.79062  1.552403      798.8684       85.66420  798.8684       85.66420      ?              ?         
1 1 1 20  0  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  0  15 o 1.684352  0.9124499     4.082628       4.305095  4.082628       4.305095      ?              ?         
1 1 1 20  0  16 o 6.291862  0.5353622     40.71188       6.620246  40.71188       6.620246      ?              ?         
1 1 1 20  0  17 o 1.281584  0.8277792     0.7592443E-01  4.952069  0.7592443E-01  4.952069      ?              ?         
1 1 1 20  0  18 o 5.702791  0.6055468     34.20137       6.710921  34.20137       6.710921      ?              ?         
1 1 1 20  0  19 f 4.838849  0.7007107     25.62821       6.367673  25.62821       6.367673      ?              ?         
1 1 1 20  0  20 o 5.370688  0.6876900     31.65989       7.055451  31.65989       7.055451      ?              ?         
1 1 1 20  0  21 f 1.314963  0.8757060     -0.3738482     6.216698  -0.3738482     6.216698      ?              ?         
1 1 1 20  0  22 o 2.008190  1.120243      8.079802       6.699427  8.079802       6.699427      ?              ?         
1 1 1 20  0  23 o 2.044918  1.152156      9.886016       7.175222  9.886016       7.175222      ?              ?         
1 1 1 20  2  0  o 11.72672  0.4395583     129.0797       14.48371  147.9008       14.53479      -0.8054442     0.8791165 
1 1 1 20  2  1  o 5.243731  0.2564289     26.89312       3.723157  28.48003       3.836565      -0.1509950     0.5128579 
1 1 1 20  2  2  o 18.23462  0.6868532     332.7157       35.28354  343.1887       35.30362      -0.2878631     1.373706  
1 1 1 20  2  3  o 12.65283  0.4958407     158.3411       17.65520  165.0565       17.69029      -0.2659912     0.9916813 
1 1 1 20  2  4  o 14.00655  0.5261158     202.9760       20.78968  193.5255       20.73814      0.3380307      1.052232  
1 1 1 20  2  5  o 15.34942  0.6193303     235.9242       25.02840  242.7673       28.94584      -0.1918211     1.238661  
1 1 1 20  2  6  o 7.501106  0.4689991     41.36809       9.554693  73.46350       9.551725      -2.172533      0.9379982 
1 1 1 20  2  7  o 8.297574  0.4810532     59.46553       11.15900  79.41759       11.08059      -1.217152      0.9621063 
1 1 1 20  2  8  o 3.160163  0.4410331     5.106113       4.007964  15.29119       3.849427      -1.570694      0.8820662 
1 1 1 20  2  9  o 14.25927  0.7907366     168.0852       31.17031  246.6951       31.35647      -2.785851      1.581473  
1 1 1 20  2  10 o 21.38786  1.196765      423.9201       71.50194  525.0717       71.61221      -2.386642      2.393530  
1 1 1 20  2  11 o 14.51403  0.8046028     194.0758       32.70701  236.0421       32.64015      -1.460105      1.609206  
1 1 1 20  2  12 o 14.83393  0.8267257     206.1291       34.39442  245.4942       34.25897      -1.340867      1.653451  
1 1 1 20  2  13 o 8.979548  0.5490353     74.40163       13.86471  89.41068       13.67987      -0.8477011     1.098071  
1 1 1 20  2  14 o 13.12266  0.8959235     162.6934       28.10689  207.7915       39.56356      -1.474024      1.791847  
1 1 1 20  2  15 o 3.509107  1.211499      ?              ?         12.05450       10.32638      ?              ?         
1 1 1 20  2  16 o 3.091469  0.5611979     9.617982       4.983526  10.79018       4.894892      -0.1745623     1.122396  
1 1 1 20  2  17 o 4.001572  0.4939556     13.72238       5.328363  19.88776       5.412596      -0.7876697     0.9879113 
1 1 1 20  2  18 o 3.779773  0.5438823     15.49518       5.612285  15.82652       5.620673      -0.4355582E-01 1.087765  
1 1 1 20  2  19 o 3.788089  0.5536589     21.64507       5.885729  10.24703       5.856849      1.474613       1.107318  
1 1 1 20  2  20 o 1.621403  0.5303245     -0.5764638E-01 5.853055  -6.762407      5.962671      0.3652696      1.060649  
1 1 1 20  2  21 o 3.243146  0.6240876     6.825195       6.406196  20.62444       6.559846      -1.664000      1.248175  
1 1 1 20  2  22 o 3.272622  0.6854101     19.70967       6.963061  13.03778       6.985538      0.8081822      1.370820  
1 1 1 20  2  23 o 1.670079  0.5519746     6.317276       6.965335  -6.514765      7.069761      0.5943925      1.103949  
1 1 1 20  4  0  o 15.01931  0.5728378     214.9947       24.20971  241.2231       24.23476      -0.8764976     1.145676  
1 1 1 20  4  1  o 4.153251  0.2645192     16.91569       2.982823  17.97221       3.171798      -0.1255656     0.5290384 
1 1 1 20  4  2  o 10.53063  0.4073305     104.4882       12.05385  118.7500       12.09155      -0.6797792     0.8146610 
1 1 1 20  4  3  o 18.63793  0.7531578     347.2872       42.68688  359.3534       36.98818      -0.3791014     1.506316  
1 1 1 20  4  4  o 22.46206  0.8501941     508.5714       53.81288  523.7131       53.81395      -0.3380595     1.700388  
1 1 1 20  4  5  o 23.15195  0.8757527     536.5841       57.11299  560.0891       57.14491      -0.5089124     1.751505  
1 1 1 20  4  6  o 11.80450  0.4311120     134.0497       14.31399  146.4317       14.36001      -0.5259654     0.8622240 
1 1 1 20  4  7  o 21.58154  0.7982593     471.3407       48.55759  476.5071       48.55677      -0.1200382     1.596519  
1 1 1 20  4  8  o 6.807308  0.2989582     47.55330       5.752795  45.65588       5.701162      0.1395707      0.5979163 
1 1 1 20  4  9  o 11.68531  0.4434818     129.8406       14.55597  144.9657       14.62685      -0.6492755     0.8869636 
1 1 1 20  4  10 o 14.11208  0.5396979     185.7298       21.37924  216.1514       21.47863      -1.081927      1.079396  
1 1 1 20  4  11 o 20.94115  0.8022531     443.2284       47.32259  453.2758       47.35345      -0.2403238     1.604506  
1 1 1 20  4  12 o 1.490121  0.4570173     0.7169286E-01  3.574024  -1.207581      3.584014      0.1259615      0.9140345 
1 1 1 20  4  13 o 2.983522  0.4821292     8.504195       3.989614  10.11282       3.980129      -0.2622741     0.9642584 
1 1 1 20  4  14 o 5.943274  0.3479464     34.09228       5.798854  37.42362       5.785245      -0.2827761     0.6958928 
1 1 1 20  4  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  4  16 o 9.739062  0.6170885     83.58961       16.72278  114.5784       16.63105      -1.616381      1.234177  
1 1 1 20  4  17 o 9.421751  0.6383661     75.57883       16.61128  114.1968       16.43202      -2.093177      1.276732  
1 1 1 20  4  18 o 1.747341  0.5776485     -1.236483      7.628143  -12.01008      7.322223      0.5508778      1.155297  
1 1 1 20  4  19 o 2.367894  0.6810668     9.222496       8.144357  -1.020173      7.142663      0.9053360      1.362134  
1 1 1 20  4  20 o 3.237371  0.7658681     11.79099       8.658831  16.10740       8.106161      -0.4678626     1.531736  
1 1 1 20  4  21 o 3.592967  1.448650      ?              ?         28.67995       16.02384      ?              ?         
1 1 1 20  4  22 o 2.348207  0.7272676     5.026680       10.36269  10.91221       8.697104      -0.3301306     1.454535  
1 1 1 20  6  0  o 29.33839  1.128796      866.8202       93.24719  921.4962       93.32330      -0.9340851     2.257591  
1 1 1 20  6  1  o 24.65569  0.9502326     603.8802       65.96719  645.9369       66.01337      -0.8553943     1.900465  
1 1 1 20  6  2  o 9.531232  0.3759675     86.25784       10.04776  96.52296       10.12489      -0.5401992     0.7519349 
1 1 1 20  6  3  o 30.82900  1.202408      975.9886       104.4070  1005.446       104.4559      -0.4786730     2.404815  
1 1 1 20  6  4  o 24.04965  0.9212694     576.3447       62.39628  608.8450       62.43667      -0.6775578     1.842539  
1 1 1 20  6  5  o 45.85934  1.829090      2276.569       236.2899  2289.806       236.2860      -0.1448570     3.658179  
1 1 1 20  6  6  o 22.94726  0.9242423     518.4077       55.79831  563.4883       64.47901      -0.9060602     1.848485  
1 1 1 20  6  7  o 20.17381  0.7556093     414.2643       42.96144  412.3900       42.96114      0.4658405E-01  1.511219  
1 1 1 20  6  8  o 4.060483  0.2943683     17.19752       3.401827  16.20434       3.265825      0.1215256      0.5887367 
1 1 1 20  6  9  o 23.24379  0.8798612     529.0277       57.55350  574.0582       57.65456      -0.9712299     1.759722  
1 1 1 20  6  10 o 4.217824  0.3161725     15.72139       3.626327  20.24438       3.767300      -0.5424325     0.6323451 
1 1 1 20  6  11 o 12.13387  0.4877322     146.5159       16.64633  151.1950       16.69038      -0.1931095     0.9754645 
1 1 1 20  6  12 o 7.715736  0.6105096     72.95129       9.620600  44.95438       16.16641      2.004621       1.221019  
1 1 1 20  6  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  6  14 o 9.048872  0.4014936     77.88000       10.22858  87.96597       10.19757      -0.5607458     0.8029873 
1 1 1 20  6  15 o 2.119044  0.5715858     3.342037       4.817246  3.275795       4.701091      0.2338286E-01  1.143172  
1 1 1 20  6  16 o 3.570951  0.5276556     8.413245       5.259137  18.38592       5.302896      -1.365768      1.055311  
1 1 1 20  6  17 o 2.269953  0.6070058     4.687871       5.350108  3.916403       5.334776      0.9001146E-01  1.214012  
1 1 1 20  6  18 o 3.802751  0.5622802     17.86880       5.774169  14.02453       5.981076      0.5170617      1.124560  
1 1 1 20  6  19 f 2.178407  0.5920347     8.515749       5.702281  -1.874306      5.859845      0.9833782      1.184069  
1 1 1 20  6  20 o 1.562880  0.5216893     -2.505508      5.996950  -6.642511      6.163457      0.1821980      1.043379  
1 1 1 20  6  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  6  22 f 1.862130  0.5999720     3.385136       6.900506  1.025419       7.086448      0.1258409      1.199944  
1 1 1 20  8  0  o 6.974273  0.3045876     47.69360       5.974277  50.15138       5.981030      -0.1768950     0.6091752 
1 1 1 20  8  1  o 7.937592  0.3356934     58.90694       7.466466  67.73603       7.517847      -0.5586006     0.6713868 
1 1 1 20  8  2  o 6.569348  0.2926430     39.28431       5.337335  47.46611       5.458179      -0.6254059     0.5852860 
1 1 1 20  8  3  o 32.12809  1.242974      1037.015       112.4182  1110.256       112.5334      -1.142558      2.485948  
1 1 1 20  8  4  o 19.29467  0.7358118     368.9833       39.98865  386.9794       40.00954      -0.4676960     1.471624  
1 1 1 20  8  5  o 23.18210  0.8668137     553.1042       56.64669  543.0896       56.61742      0.2163787      1.733627  
1 1 1 20  8  6  o 20.58799  0.7611878     443.5949       44.18210  416.9212       44.13184      0.6495005      1.522376  
1 1 1 20  8  7  o 7.979687  0.3325093     62.87266       7.469951  65.20778       7.471061      -0.1468523     0.6650186 
1 1 1 20  8  8  o 6.284241  0.3024961     40.77896       5.339095  38.70427       5.347515      0.1659870      0.6049922 
1 1 1 20  8  9  o 12.31915  0.4776223     144.4561       16.51795  161.5446       16.60985      -0.6957311     0.9552446 
1 1 1 20  8  10 f 16.08120  0.6270741     253.1340       28.35411  271.8670       28.44552      -0.5837344     1.254148  
1 1 1 20  8  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  8  12 o 5.779160  0.3512380     30.88957       5.682870  36.55640       5.663393      -0.4957215     0.7024760 
1 1 1 20  8  13 o 10.20403  0.4326736     102.6415       12.44076  108.5574       12.41263      -0.2914044     0.8653473 
1 1 1 20  8  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  8  15 o 3.760056  0.5179542     19.38194       5.542418  10.40362       5.110049      1.191377       1.035908  
1 1 1 20  8  16 o 5.581233  0.4202595     29.20262       6.570571  35.08692       6.454974      -0.5398486     0.8405191 
1 1 1 20  8  17 o 8.281003  0.4279260     66.49179       9.964444  76.47835       9.912493      -0.6095148     0.8558521 
1 1 1 20  8  18 o 4.405293  0.5425949     21.12620       6.441929  22.18779       6.588148      -0.1117620     1.085190  
1 1 1 20  8  19 o 2.245212  0.6262094     7.287428       5.948983  1.460661       6.224680      0.5389084      1.252419  
1 1 1 20  8  20 o 5.356680  0.5273135     36.80128       7.642406  31.02685       7.853742      0.5822563      1.054627  
1 1 1 20  8  21 o 3.062569  0.6474233     3.812727       7.036512  23.88642       7.487515      -2.053493      1.294847  
1 1 1 20  8  22 o 2.165139  0.6641980     6.381143       7.376801  9.634332       7.745621      -0.2194930     1.328396  
1 1 1 20  10 0  o 30.28277  1.230867      927.7588       113.2925  970.1914       98.22270      -0.8731275     2.461734  
1 1 1 20  10 1  o 30.59155  1.163797      943.0894       100.2669  991.4754       100.3426      -0.7926192     2.327594  
1 1 1 20  10 2  o 23.30181  0.8821582     542.0642       57.89671  565.8821       57.94120      -0.5123090     1.764316  
1 1 1 20  10 3  f 20.77346  0.7961102     441.5999       46.59652  436.2537       46.60526      0.1291346      1.592220  
1 1 1 20  10 4  o 11.61805  0.4544657     130.9071       14.88641  140.8879       14.85273      -0.4313471     0.9089314 
1 1 1 20  10 5  o 16.68187  0.6305469     283.9579       29.66943  279.1656       29.61548      0.1436971      1.261094  
1 1 1 20  10 6  o 16.51900  0.6569493     284.2196       33.04179  270.4630       28.56541      0.3845950      1.313899  
1 1 1 20  10 7  o 15.68960  0.6004594     255.0686       26.53911  243.0228       26.54418      0.3851686      1.200919  
1 1 1 20  10 8  o 19.21712  0.7337463     370.4425       39.70575  381.5920       39.75605      -0.2905341     1.467493  
1 1 1 20  10 9  o 9.941203  0.4057316     92.54140       11.28479  106.6054       11.40444      -0.7097434     0.8114632 
1 1 1 20  10 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  10 11 o 5.092607  0.3711034     20.52621       5.187408  32.03855       5.168807      -1.153476      0.7422069 
1 1 1 20  10 12 o 14.05064  0.5704300     197.8697       22.57278  205.6376       22.56933      -0.2774580     1.140860  
1 1 1 20  10 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  10 14 f 2.723517  0.5059658     -3.789550      5.357798  15.52084       5.165954      -2.245275      1.011932  
1 1 1 20  10 15 f 10.73919  0.4767147     115.1852       14.41500  123.4794       14.38681      -0.3887166     0.9534295 
1 1 1 20  10 16 o 7.458560  0.4235059     62.58933       8.886311  52.95510       8.793449      0.6484088      0.8470118 
1 1 1 20  10 17 o 6.002117  0.4471315     34.49671       7.459375  41.82624       7.441934      -0.6214147     0.8942630 
1 1 1 20  10 18 o 3.757043  0.6222281     19.22074       6.492253  13.92028       6.624591      0.6854798      1.244456  
1 1 1 20  10 19 o 3.970148  0.6137082     26.21844       6.912427  12.46747       7.044196      1.661837       1.227416  
1 1 1 20  10 20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  10 21 o 1.860549  0.6057646     0.7629862      7.069300  2.567817       7.662252      -0.1328239     1.211529  
1 1 1 20  12 0  o 16.90106  0.6505584     296.9601       30.93850  281.1698       31.00888      0.4692124      1.301117  
1 1 1 20  12 1  o 36.65954  1.416661      1415.531       146.3249  1402.518       146.3393      0.1781926      2.833322  
1 1 1 20  12 2  o 18.17443  0.6889036     341.8758       35.27914  327.6138       35.27650      0.3935820      1.377807  
1 1 1 20  12 3  o 17.56368  0.6816817     317.8373       33.70597  307.5988       33.75603      0.2927750      1.363363  
1 1 1 20  12 4  o 23.24293  0.8811297     539.1572       57.69542  564.5701       57.71120      -0.5482839     1.762259  
1 1 1 20  12 5  o 14.81903  0.5709431     227.0555       23.85613  217.0378       23.81590      0.3388153      1.141886  
1 1 1 20  12 6  o 14.43578  0.5554806     219.4155       22.61309  201.8941       22.55289      0.6086525      1.110961  
1 1 1 20  12 7  o 27.37774  1.049374      820.7054       80.92917  733.1057       80.83040      1.605107       2.098748  
1 1 1 20  12 8  o 19.15074  0.7435356     376.8314       40.09468  373.5360       40.14495      0.8685728E-01  1.487071  
1 1 1 20  12 9  o 3.175389  0.5039980     8.511740       4.284646  12.53797       4.577097      -0.6158658     1.007996  
1 1 1 20  12 10 o 19.58006  0.7661993     379.3529       42.16781  411.4476       42.32145      -0.8203584     1.532399  
1 1 1 20  12 11 o 15.15841  0.6118942     233.6430       26.11508  237.7784       26.13453      -0.1365737     1.223788  
1 1 1 20  12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  12 13 o 5.969875  0.4143679     38.61555       6.913228  34.39913       6.882196      0.3566022      0.8287358 
1 1 1 20  12 14 o 2.112936  0.6030543     0.4548815      5.734875  4.003706       5.558925      -0.3201673     1.206109  
1 1 1 20  12 15 o 2.928614  0.6418244     9.476129       6.028935  9.196009       5.710340      0.4383512E-01  1.283649  
1 1 1 20  12 16 o 5.609966  0.4722919     35.87615       7.432276  31.34242       7.236302      0.4003079      0.9445839 
1 1 1 20  12 17 o 5.085353  0.5395247     19.11599       7.331378  38.54094       7.234385      -1.979767      1.079049  
1 1 1 20  12 18 o 2.906409  0.6908553     5.966835       6.889854  15.43912       7.270380      -1.032014      1.381711  
1 1 1 20  12 19 o 1.807554  0.5910454     2.487932       7.420984  -6.276654      7.305021      0.4600071      1.182091  
1 1 1 20  12 20 o 2.411862  0.6610958     -0.7862999     7.500287  17.01509       7.822618      -1.390483      1.322192  
1 1 1 20  12 21 o 1.987919  0.6421065     2.753145       7.833829  8.563752       8.400461      -0.3170007     1.284213  
1 1 1 20  14 0  o 19.41465  0.7074128     368.1541       38.59990  397.5283       38.79474      -0.7573321     1.414826  
1 1 1 20  14 1  o 14.07991  0.5562251     208.6772       22.01001  191.9995       22.09278      0.5952176      1.112450  
1 1 1 20  14 2  o 19.69603  0.8125525     422.3389       48.60329  374.2090       42.02080      1.160017       1.625105  
1 1 1 20  14 3  o 16.71605  0.6505996     295.9679       30.61530  270.9601       30.63189      0.7510605      1.301199  
1 1 1 20  14 4  o 10.81334  0.4417794     117.1973       13.56052  118.8348       13.34973      -0.7759009E-01 0.8835588 
1 1 1 20  14 5  o 7.658162  0.3626512     64.22039       7.841316  53.91755       7.746170      0.6762068      0.7253024 
1 1 1 20  14 6  o 6.508399  0.5600204     46.88261       10.33443  39.98267       9.826283      0.5304706      1.120041  
1 1 1 20  14 7  o 8.015880  0.4196149     62.94163       10.21947  66.62881       8.820160      -0.2475241     0.8392297 
1 1 1 20  14 8  o 13.28916  0.5346227     182.4838       19.93670  176.5650       20.08421      0.2251366      1.069245  
1 1 1 20  14 9  o 6.343954  0.3948561     37.65143       6.821494  44.14501       7.186284      -0.5109288     0.7897122 
1 1 1 20  14 10 o 16.25943  0.6478295     265.4158       29.62350  279.6574       29.70614      -0.4380762     1.295659  
1 1 1 20  14 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  14 12 o 7.151055  0.4170002     52.30404       8.331889  52.56472       8.387154      -0.1714351E-01 0.8340003 
1 1 1 20  14 13 o 6.235645  0.4459339     38.98544       7.792435  41.66259       7.714124      -0.2196654     0.8918678 
1 1 1 20  14 14 o 2.891032  0.6650422     7.574067       6.393386  10.21491       6.172035      -0.3173926     1.330084  
1 1 1 20  14 15 o 8.610185  0.4648617     84.24212       11.28211  72.84339       11.15013      0.6608350      0.9297234 
1 1 1 20  14 16 o 3.175110  0.6888573     14.08930       7.000852  10.24405       6.640155      0.4619769      1.377715  
1 1 1 20  14 17 o 3.582166  0.6705073     10.40574       7.388910  21.54563       7.193922      -1.332572      1.341015  
1 1 1 20  14 18 o 3.219196  0.6978945     22.60331       7.915600  6.021620       7.894919      1.710288       1.395789  
1 1 1 20  14 19 o 2.017750  0.6485404     0.6038637      8.058487  4.247355       8.176794      -0.2053549     1.297081  
1 1 1 20  14 20 o 1.471313  0.5179319     -9.760922      8.440787  -11.03435      8.610477      0.1676605E-01  1.035864  
1 1 1 20  16 0  o 8.585931  1.251981      77.32992       20.86636  ?              ?             ?              ?         
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  o 5.194968  0.4342993     23.16367       6.402450  31.28918       6.028430      -0.8095143     0.8685985 
1 1 1 20  16 5  o 5.083360  0.4343597     26.54970       6.293974  26.33781       5.957333      0.1442847E-01  0.8687194 
1 1 1 20  16 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  16 7  o 11.80316  0.5012882     142.4602       16.61512  141.2504       16.70102      0.5255975E-01  1.002576  
1 1 1 20  16 8  o 11.17442  0.4901389     134.3714       15.24654  119.7642       15.55870      0.6618489      0.9802778 
1 1 1 20  16 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  16 10 o 11.16933  0.5014264     123.0785       15.68820  133.4420       15.81269      -0.4635612     1.002853  
1 1 1 20  16 11 o 4.843150  0.5488093     16.56342       7.247780  32.60801       7.038836      -1.716284      1.097619  
1 1 1 20  16 12 f 5.655898  0.5475341     29.05259       9.163815  37.69526       7.931528      -0.8465943     1.095068  
1 1 1 20  16 13 o 2.810451  0.6909164     5.669580       6.871716  10.52444       6.830499      -0.5356974     1.381833  
1 1 1 20  16 14 o 2.565062  0.6852961     3.756935       7.064492  8.469275       6.811816      -0.4480334     1.370592  
1 1 1 20  16 15 o 2.377474  0.6336957     12.84519       7.380424  -5.569408      6.944633      1.543282       1.267391  
1 1 1 20  16 16 o 2.490071  0.7053643     7.331814       7.826645  5.899405       7.288454      0.1492735      1.410729  
1 1 1 20  16 17 o 2.586499  0.7177194     14.49457       8.473745  3.486384       7.795967      0.9241055      1.435439  
1 1 1 20  16 18 o 2.605210  0.7138663     -7.225258      9.086144  27.11462       10.82397      -2.085059      1.427733  
1 1 1 20  16 19 o 1.827270  0.6133095     -6.314270      9.147750  6.279304       8.700630      -0.4626847     1.226619  
1 1 1 20  18 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  18 1  o 18.30609  0.8614990     375.0238       44.19305  323.7313       44.36761      1.413378       1.722998  
1 1 1 20  18 2  o 7.628603  0.4337809     68.24274       9.065593  49.64588       9.340218      1.237841       0.8675619 
1 1 1 20  18 3  o 9.435266  0.4521514     97.86857       11.86759  82.57334       12.07610      0.8192587      0.9043029 
1 1 1 20  18 4  o 7.411946  0.4506238     72.55615       9.359460  40.63553       8.875048      2.174477       0.9012475 
1 1 1 20  18 5  o 3.842753  0.5965408     25.22316       7.021265  5.934656       6.562074      2.294815       1.193082  
1 1 1 20  18 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  18 7  o 15.60980  0.6477160     240.1055       28.26989  266.6276       28.62684      -0.8452097     1.295432  
1 1 1 20  18 8  o 10.16767  0.4850221     113.7573       13.79190  98.53387       13.90032      0.7559749      0.9700441 
1 1 1 20  18 9  o 2.192811  0.6502249     4.810653       6.881859  -4.111381      7.476083      0.5885289      1.300450  
1 1 1 20  18 10 o 9.245077  0.4743692     83.80325       12.23044  93.91656       12.38344      -0.5457957     0.9487384 
1 1 1 20  18 11 f 5.821633  0.5146152     29.56174       8.039357  42.28328       8.367375      -1.104015      1.029230  
1 1 1 20  18 12 o 3.696933  0.7284811     21.50806       8.428895  10.24196       7.971061      1.253177       1.456962  
1 1 1 20  18 13 o 3.150482  0.7480284     9.428164       8.081121  13.97271       7.867398      -0.4821927     1.496057  
1 1 1 20  18 14 o 2.421151  0.6988956     9.938466       8.235871  -0.3396168     7.817168      0.8206726      1.397791  
1 1 1 20  18 15 o 5.135827  0.6505602     25.54831       9.562112  39.35500       8.776163      -1.485012      1.301120  
1 1 1 20  18 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  18 17 f 1.923802  0.6282334     -13.04124      9.780275  8.944358       8.756488      -0.8239014     1.256467  
1 1 1 20  18 18 o 2.551374  0.7460354     6.145483       10.34257  22.21866       9.460193      -1.057321      1.492071  
1 1 1 20  20 0  o 10.78935  0.5061866     121.9075       15.24626  116.9114       15.47053      0.2368601      1.012373  
1 1 1 20  20 1  o 16.98845  0.7214833     324.3338       34.33860  279.8396       34.56691      1.322343       1.442967  
1 1 1 20  20 2  o 10.88023  0.5430624     130.8587       15.49893  111.2072       17.82599      0.9621712      1.086125  
1 1 1 20  20 3  o 7.180673  0.5147383     61.82925       10.00666  44.04018       10.40136      1.273057       1.029477  
1 1 1 20  20 4  o 13.71966  0.5961533     210.9822       23.27495  180.3803       22.69616      1.106926       1.192307  
1 1 1 20  20 5  o 11.59672  0.5274284     146.1208       17.23960  132.2189       17.14866      0.6002798      1.054857  
1 1 1 20  20 6  o 12.28983  0.5957329     153.3966       19.12344  165.6412       22.40359      -0.3985438     1.191466  
1 1 1 20  20 7  o 8.477981  0.5002812     75.29721       11.51985  74.83316       12.29123      0.5242040E-01  1.000562  
1 1 1 20  20 8  o 4.585178  0.6755428     31.29633       8.685426  14.74653       8.691936      1.766537       1.351086  
1 1 1 20  20 9  o 2.896664  0.7669835     7.769890       7.744137  8.586930       9.359067      -0.1734886     1.533967  
1 1 1 20  20 10 o 4.071327  0.7329712     20.74783       8.226284  18.10962       8.802641      0.3278470      1.465942  
1 1 1 20  20 11 o 6.889738  0.5492962     44.74168       10.47200  59.54449       10.39255      -1.103314      1.098592  
1 1 1 20  20 12 f 2.137862  0.6889253     0.9252564      9.442324  -4.346971      9.088087      0.3013488      1.377851  
1 1 1 20  20 13 o 3.653707  0.8268638     19.50583       9.909892  18.77190       9.424374      0.3774429E-01  1.653728  
1 1 1 20  20 14 o 3.577111  0.7852513     11.21913       9.734216  26.95541       9.464356      -1.532641      1.570503  
1 1 1 20  20 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  20 16 o 1.842582  0.6326110     -7.647545      11.08693  -0.4744179     9.869281      -0.1424966     1.265222  
1 1 1 20  22 0  o 9.824475  0.5374120     122.8539       14.59406  80.17332       14.55700      2.195590       1.074824  
1 1 1 20  22 1  o 7.805634  0.5513273     60.59976       11.66236  68.26536       12.35113      -0.4704880     1.102655  
1 1 1 20  22 2  o 2.164994  0.6918313     -2.879750      8.864175  -3.991843      9.220155      0.1285354E-01  1.383663  
1 1 1 20  22 3  o 3.647677  0.8502548     12.69362       9.410467  17.59518       11.09904      -0.4991645     1.700510  
1 1 1 20  22 4  o 8.210782  0.5386196     83.59467       12.77866  59.59698       11.79062      1.438945       1.077239  
1 1 1 20  22 5  o 11.43295  0.5571163     156.3370       17.90078  122.1873       17.74131      1.498392       1.114233  
1 1 1 20  22 6  o 6.045412  0.7370546     41.69061       10.41456  42.08315       15.78887      0.3559473      1.474109  
1 1 1 20  22 7  o 7.626550  0.5744081     60.98285       11.86081  66.56238       12.55031      -0.3284283     1.148816  
1 1 1 20  22 8  o 3.868033  0.8072827     16.92881       9.168428  20.37122       9.746852      -0.3394984     1.614565  
1 1 1 20  22 9  o 4.239602  0.7647225     12.14213       9.739206  32.68580       10.07857      -2.042119      1.529445  
1 1 1 20  22 10 o 5.551326  0.6975458     42.14533       10.25552  32.46749       10.90878      0.9732655      1.395092  
1 1 1 20  22 11 o 3.163152  0.8276139     13.56861       10.06067  14.82694       9.612349      -0.1199491     1.655228  
1 1 1 20  22 12 o 4.472765  0.8400560     37.92806       11.21652  23.00848       11.22433      1.439680       1.680112  
1 1 1 20  22 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  22 14 o 2.993237  0.8737391     22.34329       12.62574  18.81090       11.42001      0.1281554      1.747478  
1 1 1 20  24 0  o 6.524276  0.6596957     49.58017       11.48115  46.87815       12.19423      0.2670560      1.319391  
1 1 1 20  24 1  o 6.722550  0.6856369     63.75540       12.11999  38.30782       12.66788      2.002912       1.371274  
1 1 1 20  24 2  o 5.175542  0.7445002     52.35353       10.98460  11.00191       12.65232      3.630886       1.489000  
1 1 1 20  24 3  o 3.980735  0.9125718     24.55337       10.85326  13.33497       15.19226      0.9526932      1.825144  
1 1 1 20  24 4  o 4.061152  0.8785769     21.29818       11.37977  21.85473       10.73243      -0.8574592E-01 1.757154  
1 1 1 20  24 5  o 2.831099  0.7917982     -2.388943      10.62154  16.03743       10.42043      -1.241089      1.583596  
1 1 1 20  24 6  o 5.873268  0.7707217     45.38071       12.00276  40.92878       12.71452      0.4724982      1.541443  
1 1 1 20  24 7  o 5.913783  0.7909750     46.59700       12.49382  44.42451       13.02509      0.2602072      1.581950  
1 1 1 20  24 8  o 2.708824  0.7992335     12.95223       10.25109  2.366368       11.01620      0.6442420      1.598467  
1 1 1 20  24 9  o 2.151463  0.7058975     3.319429       9.640013  -7.920094      11.68622      0.3066733      1.411795  
1 1 1 20  24 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  24 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  24 12 o 3.076000  0.9058673     24.42776       13.04180  23.56103       13.07582      0.5500355E-01  1.811735  
1 1 1 20  26 0  o 1.869991  0.6512271     -11.05092      11.75910  -23.82611      12.90011      0.1946726      1.302454  
1 1 1 20  26 1  o 5.617683  0.8742982     49.38961       13.29404  39.44811       14.01956      0.9827276      1.748596  
1 1 1 20  26 2  o 2.530310  0.7966698     8.923688       11.98558  -0.2064710     11.39829      0.4849018      1.593340  
1 1 1 20  26 3  o 2.771477  0.8750529     15.35474       13.14901  -8.466879      18.24970      0.7253720      1.750106  
1 1 1 20  26 4  o 4.436395  0.8528081     49.41038       12.92037  8.059634       16.69928      3.160172       1.705616  
1 1 1 20  26 5  o 2.612853  0.8394936     8.289141       13.27697  4.584953       13.86159      0.1389524      1.678987  
1 1 1 20  26 6  o 2.968932  0.9390364     14.53527       16.87147  17.50046       15.63448      -0.1352258     1.878073  
1 1 1 20  26 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  26 8  o 3.031090  1.412038      29.06920       20.88011  ?              ?             ?              ?         
1 1 1 20  26 9  o 2.296554  0.7955611     14.95006       20.74249  -0.2338307     14.50953      0.3915364      1.591122  
1 1 1 20  28 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 20  28 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  1  0  o 3.373950  0.5186400     12.10000       4.163272  11.30487       6.141022      0.1235329      1.037280  
1 1 1 21  1  1  o 7.385525  0.6348377     55.26863       9.286299  ?              ?             ?              ?         
1 1 1 21  1  2  o 6.793262  0.4232291     42.88063       7.985726  50.37798       8.078895      -0.5565077     0.8464581 
1 1 1 21  1  3  f 27.10803  1.563266      706.7836       118.2951  869.3649       118.5095      -3.026145      3.126533  
1 1 1 21  1  4  o 11.75660  0.6668098     126.9675       21.96756  153.6614       21.88868      -1.147174      1.333620  
1 1 1 21  1  5  o 17.72261  0.9837325     291.0029       48.72712  354.8704       48.81782      -1.817795      1.967465  
1 1 1 21  1  6  o 30.28036  1.748619      914.3787       148.0872  1062.281       148.2456      -2.462351      3.497239  
1 1 1 21  1  7  o 18.86858  1.018160      324.7800       53.65463  406.1255       53.80283      -2.174089      2.036321  
1 1 1 21  1  8  o 18.39001  1.008874      284.6881       51.37226  410.5582       51.63272      -3.457177      2.017748  
1 1 1 21  1  9  o 11.66822  0.6496215     116.4925       21.03975  159.5624       21.17771      -1.864308      1.299243  
1 1 1 21  1  10 o 15.74632  0.8706904     220.5267       38.22800  286.4885       38.31914      -2.114989      1.741381  
1 1 1 21  1  11 o 4.724858  0.3115807     20.17423       4.166878  24.71586       4.041002      -0.4890978     0.6231615 
1 1 1 21  1  12 o 20.55004  0.9475074     431.5625       47.39407  451.4913       67.18926      -0.1925604     1.895015  
1 1 1 21  1  13 o 4.428944  0.3702964     22.49311       4.538506  17.26071       4.505401      0.6027390      0.7405928 
1 1 1 21  1  14 o 7.402135  0.3604463     60.63297       7.506804  50.07639       7.455970      0.7175870      0.7208926 
1 1 1 21  1  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  1  16 o 4.566176  0.4234670     24.97417       5.318451  17.86120       5.260772      0.7983640      0.8469341 
1 1 1 21  1  17 o 2.537931  0.5971361     5.009426       5.128441  7.964586       5.031293      -0.3907097     1.194272  
1 1 1 21  1  18 o 6.305298  0.4038229     41.61321       7.124791  41.57099       7.122788      0.3293882E-02  0.8076458 
1 1 1 21  1  19 o 6.924403  0.4165309     44.88626       7.932889  57.16537       8.157896      -0.8832750     0.8330618 
1 1 1 21  1  20 o 1.781036  0.5594885     -1.441118      5.645628  1.115393       5.700802      -0.1925438     1.118977  
1 1 1 21  1  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  1  22 o 1.801784  0.5786350     -3.513216      6.749327  5.349584       6.720716      -0.5127679     1.157270  
1 1 1 21  3  0  o 7.815807  0.3252031     56.05308       7.148562  66.69479       7.136861      -0.6845906     0.6504061 
1 1 1 21  3  1  o 17.69535  0.6801775     297.5020       33.84473  338.1831       33.90821      -1.153825      1.360355  
1 1 1 21  3  2  o 4.809269  0.2772927     21.65898       3.745429  24.87848       3.721772      -0.3380295     0.5545853 
1 1 1 21  3  3  o 9.519051  0.4363689     84.05453       11.60123  98.60324       11.72891      -0.7677571     0.8727377 
1 1 1 21  3  4  o 13.40897  0.5197884     171.6672       19.59637  191.2170       19.64749      -0.7315679     1.039577  
1 1 1 21  3  5  o 23.58556  0.8646069     554.6316       57.44234  581.6837       57.49622      -0.5747264     1.729214  
1 1 1 21  3  6  o 10.32866  0.3886254     104.7205       11.29186  109.9461       11.32821      -0.2535412     0.7772508 
1 1 1 21  3  7  o 14.48160  0.5590774     210.6319       22.81206  213.0185       22.81340      -0.8264527E-01 1.118155  
1 1 1 21  3  8  o 2.155233  0.4353557     4.698205       2.800641  4.848788       2.771976      -0.2818035E-01 0.8707114 
1 1 1 21  3  9  o 3.476372  0.3395697     9.820887       3.264945  14.52604       3.167576      -0.7010351     0.6791394 
1 1 1 21  3  10 o 38.75117  1.646844      1515.383       167.4591  1732.886       193.7822      -2.377164      3.293687  
1 1 1 21  3  11 o 9.866474  0.5780587     92.46198       16.05020  105.0662       15.88196      -0.6464769     1.156117  
1 1 1 21  3  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  3  13 o 18.46806  1.072492      324.6618       55.35983  397.0930       55.33496      -1.981982      2.144985  
1 1 1 21  3  14 o 2.803119  0.6587003     9.760988       6.413010  5.673735       5.943434      0.5323325      1.317401  
1 1 1 21  3  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  3  16 o 2.179879  0.6235096     7.228467       7.038142  -4.521936      6.345991      1.059226       1.247019  
1 1 1 21  3  17 o 2.998699  0.7150469     9.245984       7.357809  9.673527       7.031546      -0.3443846E-01 1.430094  
1 1 1 21  3  18 o 3.440936  0.7197220     10.71923       7.829748  16.28490       7.464999      -0.6479601     1.439444  
1 1 1 21  3  19 o 3.599470  0.7176630     8.740591       8.294684  22.30347       8.110022      -1.485083      1.435326  
1 1 1 21  3  20 o 2.683910  0.6895210     15.97062       8.495004  3.664700       6.073578      1.263634       1.379042  
1 1 1 21  3  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  3  22 o 3.488423  0.6977892     19.61602       7.053221  19.23526       7.354898      0.1087803      1.395578  
1 1 1 21  5  0  o 31.24750  1.203165      972.4081       105.8179  1063.288       105.9198      -1.458449      2.406329  
1 1 1 21  5  1  o 9.821371  0.3882247     90.31502       10.70729  103.7433       10.74800      -0.6864449     0.7764493 
1 1 1 21  5  2  o 4.947750  0.2753341     22.57476       3.765093  26.71684       3.864193      -0.4209143     0.5506682 
1 1 1 21  5  3  o 24.19165  0.9191900     592.8237       62.64256  607.1932       62.67818      -0.2975396     1.838380  
1 1 1 21  5  4  o 9.145553  0.3742066     82.56577       9.667387  85.80521       9.607145      -0.1781509     0.7484132 
1 1 1 21  5  5  o 18.56265  0.7026099     347.3485       36.76908  351.9318       36.73916      -0.1240428     1.405220  
1 1 1 21  5  6  o 9.188254  0.3569997     81.84789       9.212211  87.90421       9.264563      -0.3304226     0.7139993 
1 1 1 21  5  7  o 7.056215  0.3092453     46.72388       6.116930  53.30024       6.151221      -0.4682174     0.6184907 
1 1 1 21  5  8  o 7.069249  0.3172039     56.53668       6.321967  43.94917       6.243066      0.8956732      0.6344079 
1 1 1 21  5  9  o 23.98912  0.8985918     569.4986       60.69118  607.2361       60.77312      -0.7884037     1.797184  
1 1 1 21  5  10 o 15.14122  0.5869268     220.1696       24.97320  243.7949       25.06781      -0.7824984     1.173854  
1 1 1 21  5  11 o 11.47354  0.4555771     124.8801       14.67257  140.8013       14.74782      -0.6962051     0.9111542 
1 1 1 21  5  12 o 8.684948  0.3805987     75.32606       9.284607  77.02576       9.321278      -0.9789876E-01 0.7611974 
1 1 1 21  5  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  5  14 o 2.482139  0.5584319     4.770352       4.487325  7.446455       4.443631      -0.3920399     1.116864  
1 1 1 21  5  15 o 10.84346  0.4612617     119.0428       14.06948  121.6121       14.09212      -0.1185077     0.9225234 
1 1 1 21  5  16 o 6.275353  0.3859368     38.24112       6.827140  42.46199       6.724452      -0.3421901     0.7718736 
1 1 1 21  5  17 o 7.665400  0.3987586     63.04309       8.567616  58.52982       8.593437      0.2970915      0.7975172 
1 1 1 21  5  18 o 3.813713  0.5512724     12.99744       5.759501  18.98886       5.782646      -0.7861466     1.102545  
1 1 1 21  5  19 o 1.976725  0.5652371     -4.636399      5.453161  7.740170       6.038927      -1.117991      1.130474  
1 1 1 21  5  20 o 1.723814  0.5678444     -3.968508      6.021956  -1.245129      7.645686      -0.3433582     1.135689  
1 1 1 21  5  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  5  22 o 1.742146  0.5991914     0.1297542      9.881464  -6.990470      8.954825      0.2817778      1.198383  
1 1 1 21  7  0  o 27.36065  1.049644      749.5381       80.86774  793.4980       80.93578      -0.8053367     2.099288  
1 1 1 21  7  1  o 14.17040  0.5488043     188.1911       21.85265  217.1106       21.91114      -1.024554      1.097609  
1 1 1 21  7  2  o 12.59586  0.4896511     154.4130       17.34135  165.5542       17.39969      -0.4434481     0.9793021 
1 1 1 21  7  3  o 27.67582  1.062181      757.9402       82.74673  819.0750       82.84177      -1.107524      2.124361  
1 1 1 21  7  4  o 26.69223  1.027121      696.5984       77.15790  766.1480       77.24057      -1.307064      2.054241  
1 1 1 21  7  5  o 17.31292  0.6607981     300.4858       32.24154  306.6231       32.23234      -0.1778429     1.321596  
1 1 1 21  7  6  o 25.85806  0.9570265     694.3425       69.76778  673.7388       69.72192      0.3991592      1.914053  
1 1 1 21  7  7  o 13.82616  0.5388229     207.3730       20.99364  178.0867       20.92096      1.063476       1.077646  
1 1 1 21  7  8  o 11.40002  0.4488635     130.8905       14.41860  131.1273       14.41348      -0.1045484E-01 0.8977270 
1 1 1 21  7  9  o 13.83409  0.5305069     186.7186       20.65314  199.9287       20.69174      -0.4788282     1.061014  
1 1 1 21  7  10 o 13.97895  0.5337528     187.5097       20.94539  207.7260       21.07375      -0.7247972     1.067506  
1 1 1 21  7  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  7  12 o 15.59722  0.6162915     242.4012       27.06797  254.3857       27.08029      -0.3853660     1.232583  
1 1 1 21  7  13 o 14.52137  0.5837008     217.9930       23.89322  213.8464       23.85579      0.1427043      1.167402  
1 1 1 21  7  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  7  15 o 6.860667  0.3822358     42.05379       7.288023  53.91247       7.361094      -0.8713279     0.7644716 
1 1 1 21  7  16 o 3.940305  0.5154222     21.15666       5.652010  11.71489       5.411326      1.210282       1.030844  
1 1 1 21  7  17 o 9.913107  0.4554410     97.27035       12.66808  108.8475       12.70742      -0.5856230     0.9108820 
1 1 1 21  7  18 o 3.595117  0.5689695     21.28819       5.983109  7.710334       5.966337      1.748273       1.137939  
1 1 1 21  7  19 o 3.811139  0.6013905     12.24654       6.158652  22.46414       6.677557      -1.247738      1.202781  
1 1 1 21  7  20 o 2.150462  0.5863613     -5.505672      6.292741  11.69216       6.404434      -1.406251      1.172723  
1 1 1 21  7  21 o 2.711883  0.6422617     18.81128       6.954631  1.743178       7.083363      1.661586       1.284523  
1 1 1 21  9  0  o 22.70569  0.8744758     528.2799       55.94219  524.0834       55.95312      0.9278164E-01  1.748952  
1 1 1 21  9  1  o 5.556288  0.3115499     28.04768       4.734635  34.17985       4.955650      -0.5541429     0.6230997 
1 1 1 21  9  2  o 33.51076  1.290321      1149.393       121.7999  1187.968       121.8508      -0.5768071     2.580642  
1 1 1 21  9  3  o 14.92701  0.5695085     220.0186       23.90797  230.0352       23.99473      -0.3360289     1.139017  
1 1 1 21  9  4  o 17.65844  0.6725931     310.1655       33.46414  321.4349       33.46597      -0.3200761     1.345186  
1 1 1 21  9  5  o 11.28929  0.4494318     127.9686       14.31713  128.8879       14.26846      -0.4114614E-01 0.8988636 
1 1 1 21  9  6  o 25.36163  0.9709953     676.0850       74.99255  646.3600       64.86005      0.4932387      1.941991  
1 1 1 21  9  7  o 7.884236  0.3405269     57.91609       7.516982  67.04745       7.575942      -0.5817374     0.6810538 
1 1 1 21  9  8  o 23.69990  0.9012006     576.9236       60.17510  575.7281       60.20154      0.2557107E-01  1.802401  
1 1 1 21  9  9  o 16.16393  0.6159644     245.7319       27.96068  284.1666       28.07316      -1.193048      1.231929  
1 1 1 21  9  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  9  11 o 3.360674  0.4757155     6.975746       4.421339  16.26688       4.475788      -1.367465      0.9514311 
1 1 1 21  9  12 o 12.19049  0.5009322     141.9686       17.15661  160.1425       17.20294      -0.7482873     1.001864  
1 1 1 21  9  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  9  14 o 7.710071  0.3915953     51.20108       8.390882  69.97084       8.450011      -1.227172      0.7831907 
1 1 1 21  9  15 o 2.964793  0.6102567     8.193856       5.615051  10.52632       5.328438      -0.3183101     1.220513  
1 1 1 21  9  16 o 8.056638  0.4211622     72.67753       9.584566  62.03623       9.438709      0.6604082      0.8423245 
1 1 1 21  9  17 o 5.301938  0.4663420     32.49829       6.927445  27.66024       6.724195      0.4532891      0.9326839 
1 1 1 21  9  18 o 2.945185  0.6514331     12.32965       6.113192  8.250031       6.108481      0.5188150      1.302866  
1 1 1 21  9  19 o 1.593175  0.5349374     -4.717979      6.373986  -5.789683      6.681684      0.7096263E-02  1.069875  
1 1 1 21  9  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  9  21 o 4.129423  0.6883411     22.61732       7.674653  29.82839       8.195773      -0.7074391     1.376682  
1 1 1 21  11 0  o 39.88932  1.534372      1626.862       172.2971  1731.194       172.5063      -1.309579      3.068744  
1 1 1 21  11 1  o 9.905895  0.4109683     100.4917       11.37743  97.08994       11.54986      0.1734423      0.8219367 
1 1 1 21  11 2  o 8.047843  0.3513719     69.79771       7.925879  60.32029       7.969442      0.5924585      0.7027437 
1 1 1 21  11 3  o 18.92706  0.7363828     371.5702       39.24600  355.8055       39.27930      0.4180960      1.472766  
1 1 1 21  11 4  o 25.78617  0.9799252     645.7433       71.11383  717.0792       71.18707      -1.387945      1.959850  
1 1 1 21  11 5  o 17.51500  0.6714118     312.9480       33.14056  309.4326       33.13314      0.1006011      1.342824  
1 1 1 21  11 6  o 28.39096  1.050814      870.4338       84.09677  793.7399       83.97115      1.354105       2.101628  
1 1 1 21  11 7  o 20.07234  0.7707009     427.0891       43.58532  395.1729       43.55444      0.7976136      1.541402  
1 1 1 21  11 8  o 15.28532  0.5999963     251.5842       25.83144  222.4052       25.78988      0.9582435      1.199993  
1 1 1 21  11 9  o 11.40598  0.8154741     112.5187       30.82457  149.9985       21.82824      -1.853597      1.630948  
1 1 1 21  11 10 o 24.53202  0.9561030     600.3204       65.93320  658.8173       66.14531      -1.193196      1.912206  
1 1 1 21  11 11 o 10.45400  0.4490930     102.3773       13.17503  119.2007       13.21523      -0.8085119     0.8981860 
1 1 1 21  11 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  11 13 o 14.08575  0.5814583     198.9396       23.05350  211.8606       23.05977      -0.4603328     1.162917  
1 1 1 21  11 14 o 9.355358  0.4345037     81.21487       11.37501  98.55212       11.43169      -0.9314845     0.8690074 
1 1 1 21  11 15 o 4.085190  0.5380487     9.801731       6.090074  26.11254       6.021977      -1.992494      1.076097  
1 1 1 21  11 16 f 1.722844  0.5522150     -0.7454977     6.019026  -4.095623      5.707860      0.2686801      1.104430  
1 1 1 21  11 17 o 3.505559  0.6391166     18.22336       6.708160  10.76729       6.260902      0.9339858      1.278233  
1 1 1 21  11 18 o 7.343968  0.4696567     69.75943       9.581891  50.13649       9.519985      1.349950       0.9393134 
1 1 1 21  11 19 o 3.255474  0.7178406     15.23409       7.225246  15.08965       7.429546      0.3664195E-01  1.435681  
1 1 1 21  11 20 o 1.698705  0.5663911     -7.652601      7.339423  2.411082       7.371621      -0.4549444     1.132782  
1 1 1 21  11 21 o 1.897552  0.6193167     1.415529       7.623163  6.045005       7.979888      -0.2485420     1.238633  
1 1 1 21  13 0  o 23.70666  0.8972746     578.9465       59.90799  571.9711       59.98087      0.1482435      1.794549  
1 1 1 21  13 1  o 8.746256  0.3947395     82.52306       9.535954  71.18539       9.870733      0.6550061      0.7894790 
1 1 1 21  13 2  o 14.32869  0.5531039     205.4280       22.31014  209.7927       22.34995      -0.1524885     1.106208  
1 1 1 21  13 3  o 2.607175  0.5634810     4.319067       4.408191  9.381791       4.920362      -0.7725022     1.126962  
1 1 1 21  13 4  o 10.07412  0.4171605     104.9117       11.92946  99.80431       11.73636      0.2529765      0.8343210 
1 1 1 21  13 5  o 18.22378  0.6951078     349.5240       35.70902  326.5611       35.65652      0.6317052      1.390216  
1 1 1 21  13 6  o 1.751658  0.5318885     -0.2569186     4.774026  -0.3518302     4.696440      0.2323747E-01  1.063777  
1 1 1 21  13 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  13 8  o 4.434798  0.4335010     20.53985       5.189750  19.82194       5.399609      0.8762934E-01  0.8670020 
1 1 1 21  13 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  13 10 o 7.621960  0.4005804     59.94475       8.534683  58.02256       8.611956      0.1279344      0.8011608 
1 1 1 21  13 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  13 12 o 6.857831  0.4115056     46.11500       7.857955  50.13868       7.945228      -0.2939183     0.8230113 
1 1 1 21  13 13 o 11.99569  0.5253696     151.6267       17.70674  147.9576       17.76655      0.1552233      1.050739  
1 1 1 21  13 14 o 2.921167  0.5999905     0.3723423      6.346382  15.74186       6.085490      -1.758349      1.199981  
1 1 1 21  13 15 o 9.214505  0.4645802     87.31339       12.02551  92.21438       12.02446      -0.2674918     0.9291604 
1 1 1 21  13 16 o 2.483537  0.6388164     0.3788880      6.726474  10.43586       6.119068      -0.9680947     1.277633  
1 1 1 21  13 17 o 5.128411  0.5489957     26.99592       7.832795  33.18524       7.553107      -0.6515462     1.097991  
1 1 1 21  13 18 o 4.102653  0.6676170     19.41389       7.791588  24.59999       7.509480      -0.6514372     1.335234  
1 1 1 21  13 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  13 20 o 2.500916  0.7247465     13.89677       8.156734  10.35363       8.341121      0.2871962      1.449493  
1 1 1 21  15 0  o 8.225674  0.4120095     80.95521       9.150139  55.66543       9.639281      1.558062       0.8240191 
1 1 1 21  15 1  o 2.443509  0.6019382     0.3796250      4.954411  10.13759       6.285883      -1.283074      1.203876  
1 1 1 21  15 2  o 6.005578  0.4172228     43.17530       7.478418  30.47482       6.470968      1.055592       0.8344457 
1 1 1 21  15 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  15 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  15 5  o 15.66811  0.6155210     265.6311       27.21214  234.3232       27.06859      1.001778       1.231042  
1 1 1 21  15 6  o 17.79362  0.7076675     329.4890       35.46513  320.8944       35.47369      0.2424256      1.415335  
1 1 1 21  15 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  15 8  o 5.413456  0.4460502     34.61034       6.453707  24.76309       6.826190      0.9412645      0.8921003 
1 1 1 21  15 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  15 10 o 4.003630  0.5775099     11.70357       6.239634  21.96968       6.519147      -1.271099      1.155020  
1 1 1 21  15 11 o 3.641960  0.6224860     20.66572       6.861858  7.564749       6.489295      1.620357       1.244972  
1 1 1 21  15 12 o 4.347822  0.5977300     21.72538       7.278502  19.31291       6.894733      0.2631622      1.195460  
1 1 1 21  15 13 o 6.482191  0.4605999     45.30019       8.264625  42.92558       8.391623      0.1904001      0.9211998 
1 1 1 21  15 14 o 2.357238  0.6433640     9.401039       6.787093  -1.794204      6.667147      1.023785       1.286728  
1 1 1 21  15 15 o 6.540534  0.4864743     51.12201       8.849278  41.87791       8.812039      0.7155659      0.9729487 
1 1 1 21  15 16 o 5.246936  0.5568918     33.69281       8.395504  30.50691       7.662149      0.2302920      1.113784  
1 1 1 21  15 17 o 1.596644  0.5458831     -4.316555      7.810935  -10.86366      7.325956      0.3016790      1.091766  
1 1 1 21  15 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  15 19 o 2.076812  0.6660426     6.629552       8.861182  4.221724       8.095403      0.1469277      1.332085  
1 1 1 21  15 20 o 1.805512  0.5960857     -12.70494      9.394830  15.07379       9.133302      -0.9810472     1.192171  
1 1 1 21  17 0  o 17.38186  0.6962569     321.6953       33.94872  298.2720       34.20166      0.6800215      1.392514  
1 1 1 21  17 1  f 6.841444  0.4635583     47.97625       8.214500  47.37310       9.684552      0.6774966E-01  0.9271166 
1 1 1 21  17 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  17 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  17 4  o 10.11530  0.4657563     107.2988       13.47645  100.8122       13.03067      0.3163102      0.9315125 
1 1 1 21  17 5  o 21.27294  0.8431812     506.4784       50.55141  440.2850       50.36572      1.559280       1.686362  
1 1 1 21  17 6  o 11.49207  0.5007663     137.6543       16.15534  131.9759       16.23552      0.2493057      1.001533  
1 1 1 21  17 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  17 8  o 3.933960  0.6286173     8.487391       7.122635  24.09644       7.265141      -1.840724      1.257235  
1 1 1 21  17 9  o 7.765439  0.4567687     58.92028       9.623681  65.51077       10.26827      -0.4117800     0.9135374 
1 1 1 21  17 10 o 5.968409  0.4915822     34.52482       7.941113  40.01385       8.321824      -0.4537241     0.9831643 
1 1 1 21  17 11 o 2.524484  0.6847823     5.793376       6.795691  4.704582       6.932211      0.9470696E-01  1.369565  
1 1 1 21  17 12 o 4.480251  0.6288847     16.31304       8.042259  27.55436       7.575513      -1.283693      1.257769  
1 1 1 21  17 13 o 2.292313  0.6854702     0.6026438      7.827963  3.992217       7.592068      -0.2259188     1.370940  
1 1 1 21  17 14 o 2.164422  0.6428929     -6.889934      7.714777  8.350520       7.545453      -1.007823      1.285786  
1 1 1 21  17 15 o 3.787368  0.7303445     15.07114       8.322496  22.54670       8.116741      -0.8674644     1.460689  
1 1 1 21  17 16 o 2.885381  0.7572512     16.29813       8.785497  8.413885       8.080239      0.7079501      1.514502  
1 1 1 21  17 17 o 2.409197  1.168762      ?              ?         4.230343       17.57703      ?              ?         
1 1 1 21  17 18 o 1.855727  0.6263989     -4.237543      9.798718  3.294587       8.878953      -0.2287108     1.252798  
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  o 3.700681  0.7191281     9.968400       8.487801  18.32239       7.666495      -0.9340571     1.438256  
1 1 1 21  19 5  o 15.33615  0.6499099     265.2162       28.09692  225.7460       27.92225      1.289419       1.299820  
1 1 1 21  19 6  o 8.236206  0.4884014     67.18437       11.24115  72.90744       11.28990      -0.3490486     0.9768029 
1 1 1 21  19 7  o 6.725591  0.5085545     46.91819       9.191934  47.63844       9.895103      -0.3152461E-01 1.017109  
1 1 1 21  19 8  o 6.439348  0.5394110     44.36824       9.514425  43.32591       9.755647      0.9179283E-01  1.078822  
1 1 1 21  19 9  o 3.942876  0.7469686     19.07526       7.874002  15.66996       9.646447      0.4137898      1.493937  
1 1 1 21  19 10 o 6.235088  0.5570281     50.69608       9.171562  32.45400       9.660367      1.536221       1.114056  
1 1 1 21  19 11 o 3.885029  0.6905105     9.351081       8.100498  25.35798       8.148649      -1.779494      1.381021  
1 1 1 21  19 12 o 3.144240  0.7552687     19.79494       9.261620  3.704134       8.414110      1.520756       1.510537  
1 1 1 21  19 13 o 2.390844  0.7139467     10.23932       9.148890  -2.848482      8.709270      0.8909906      1.427893  
1 1 1 21  19 14 o 2.764853  0.7704763     6.694564       9.154295  13.19018       8.960896      -0.5197108     1.540953  
1 1 1 21  19 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  19 16 o 2.321412  0.7275995     3.089790       10.12698  11.26262       9.398895      -0.4353189     1.455199  
1 1 1 21  21 0  o 9.706868  0.5193280     97.74492       13.93376  98.39513       14.38166      -0.2107483E-01 1.038656  
1 1 1 21  21 1  o 16.75124  0.8093849     313.2961       35.52071  296.3397       41.31589      0.7463990      1.618770  
1 1 1 21  21 2  o 6.645863  0.5801994     38.43528       10.22598  54.84824       10.92870      -1.236209      1.160399  
1 1 1 21  21 3  o 11.87453  0.5678186     173.7704       18.75302  122.6994       18.76606      2.169176       1.135637  
1 1 1 21  21 4  o 3.118803  0.7680427     17.89459       9.811151  0.7096202      8.702992      1.594523       1.536085  
1 1 1 21  21 5  o 7.032405  0.5442495     55.79190       10.69356  48.99084       10.56680      0.4854722      1.088499  
1 1 1 21  21 6  o 7.539812  0.5510841     59.81639       11.31157  61.74181       11.87362      -0.1036446     1.102168  
1 1 1 21  21 7  o 3.081005  0.8281156     2.941456       11.16428  13.64926       9.833366      -0.7469882     1.656231  
1 1 1 21  21 8  o 10.56100  0.5587782     127.5925       16.42626  114.0707       16.67882      0.6591097      1.117556  
1 1 1 21  21 9  f 7.310960  0.5878917     48.29583       11.65344  70.35580       11.90779      -1.524240      1.175783  
1 1 1 21  21 10 o 6.632918  0.6025840     51.03988       10.62216  49.88373       11.51286      0.1705092      1.205168  
1 1 1 21  21 11 o 2.204030  0.6907384     6.480244       9.210493  -5.192962      8.815248      0.6916738      1.381477  
1 1 1 21  21 12 o 5.599704  0.7267153     42.81103       10.91809  39.47765       11.26374      0.3583679      1.453431  
1 1 1 21  21 13 o 1.915496  0.6664845     -10.09449      12.84800  -14.66610      12.50596      0.1320463      1.332969  
1 1 1 21  21 14 o 2.829092  1.434222      ?              ?         39.87538       41.31990      ?              ?         
1 1 1 21  21 15 o 2.387960  0.7475244     -0.9171933     11.63378  20.90314       11.02769      -1.018490      1.495049  
1 1 1 21  23 0  o 11.87230  0.6246237     165.1797       20.77605  142.9206       20.79770      0.9460527      1.249247  
1 1 1 21  23 1  o 5.251800  0.7856801     36.68928       11.01802  26.94349       11.89091      0.9793269      1.571360  
1 1 1 21  23 2  o 3.188906  0.8273645     17.20327       10.34914  2.881044       10.67002      1.132213       1.654729  
1 1 1 21  23 3  o 5.773861  0.7854679     28.20664       11.46733  50.70972       13.26351      -1.830482      1.570936  
1 1 1 21  23 4  o 7.194354  0.6445507     68.43502       13.23736  47.80407       12.17388      1.390301       1.289101  
1 1 1 21  23 5  o 2.802283  0.8160143     3.501998       10.61339  8.995195       10.46573      -0.3640805     1.632029  
1 1 1 21  23 6  o 11.10464  0.6103907     136.0650       18.71757  143.2433       19.32994      -0.2776397     1.220781  
1 1 1 21  23 7  o 6.309632  0.7393484     34.07800       12.16301  62.90191       12.95339      -2.261474      1.478697  
1 1 1 21  23 8  o 3.929646  0.8275771     28.70581       10.22816  12.13000       11.61492      1.585865       1.655154  
1 1 1 21  23 9  o 2.022674  0.6817964     -6.703439      10.43618  -6.426171      11.18225      -0.7658695E-01 1.363593  
1 1 1 21  23 10 o 2.162205  0.7165701     2.395923       11.31740  -6.055392      10.95783      0.3539391      1.433140  
1 1 1 21  23 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  23 12 o 2.364137  0.8227285     5.950485       21.84660  -1.264401      17.06103      0.2212732      1.645457  
1 1 1 21  25 0  o 6.837041  0.7242280     58.70795       13.09941  56.33343       14.09581      0.2984455      1.448456  
1 1 1 21  25 1  o 3.705121  0.9179177     14.48840       10.84932  26.65461       13.41779      -0.9138374     1.835835  
1 1 1 21  25 2  o 3.542084  0.8812275     6.732096       12.83614  26.48685       11.70200      -1.498696      1.762455  
1 1 1 21  25 3  o 4.162743  0.9363861     35.91740       12.67918  12.58574       16.98576      1.862713       1.872772  
1 1 1 21  25 4  o 3.388246  0.8731281     -0.9211160     13.14678  31.47013       13.25630      -2.074339      1.746256  
1 1 1 21  25 5  f 2.282621  0.7601282     -5.189302      13.66011  -1.624863      11.84150      -0.6754783E-03 1.520256  
1 1 1 21  25 6  o 4.082552  0.9772523     36.24190       13.44129  21.71811       15.56015      1.274800       1.954505  
1 1 1 21  25 7  o 2.579020  0.8260804     5.999176       12.37495  7.330067       13.61447      -0.9397034E-01 1.652161  
1 1 1 21  25 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  25 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  25 10 o 2.673408  0.8507026     24.68079       14.05071  8.502810       13.97659      0.6859159      1.701405  
1 1 1 21  27 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  27 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  27 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  27 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 21  27 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  6  o 45.56431  3.900331      2299.832       349.2000  2299.832       349.2000      ?              ?         
1 1 1 22  0  7  o 22.70475  1.247575      524.6177       56.25805  524.6177       56.25805      ?              ?         
1 1 1 22  0  8  o 27.54509  1.452230      774.0143       79.49270  774.0143       79.49270      ?              ?         
1 1 1 22  0  9  o 14.04447  0.7821243     199.8096       21.81211  199.8096       21.81211      ?              ?         
1 1 1 22  0  10 o 11.71541  0.6529784     138.9340       15.19033  138.9340       15.19033      ?              ?         
1 1 1 22  0  11 o 8.578830  0.5216118     74.57623       8.873055  74.57623       8.873055      ?              ?         
1 1 1 22  0  12 o 1.215255  0.7812968     0.8654498E-01  4.345269  0.8654498E-01  4.345269      ?              ?         
1 1 1 22  0  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  14 o 1.811165  0.9375995     4.860635       4.379115  4.860635       4.379115      ?              ?         
1 1 1 22  0  15 o 1.028726  0.7041289     -2.909619      4.591764  -2.909619      4.591764      ?              ?         
1 1 1 22  0  16 o 3.361054  0.8606957     13.49277       5.000753  13.49277       5.000753      ?              ?         
1 1 1 22  0  17 o 8.570697  0.5878772     75.63912       9.966354  75.63912       9.966354      ?              ?         
1 1 1 22  0  18 o 7.436133  0.5755987     57.47133       8.439319  57.47133       8.439319      ?              ?         
1 1 1 22  0  19 o 4.007555  0.8550389     18.97342       6.021515  18.97342       6.021515      ?              ?         
1 1 1 22  0  20 o 5.034741  0.7150022     28.47366       6.780954  28.47366       6.780954      ?              ?         
1 1 1 22  0  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  0  22 o 1.154440  0.8046683     -3.227223      6.706204  -3.227223      6.706204      ?              ?         
1 1 1 22  2  0  o 7.773287  0.3207777     58.54068       7.014488  62.97579       7.023397      -0.2863697     0.6415555 
1 1 1 22  2  1  o 2.300953  0.3850969     2.103108       2.634822  8.589595       2.719466      -1.245964      0.7701939 
1 1 1 22  2  2  o 9.910275  0.3951029     90.62685       10.98487  106.9846       11.03480      -0.8289818     0.7902058 
1 1 1 22  2  3  o 11.04687  0.4297512     131.8655       13.39805  113.8267       13.31533      0.8195534      0.8595025 
1 1 1 22  2  4  o 10.36137  0.4129943     105.4659       12.06341  110.7685       12.04017      -0.2569463     0.8259885 
1 1 1 22  2  5  o 22.15330  0.9151743     509.5514       53.42007  492.6957       61.62744      0.4589408      1.830349  
1 1 1 22  2  6  o 18.33979  1.024008      316.9860       52.53676  374.0457       52.61499      -1.568691      2.048015  
1 1 1 22  2  7  o 36.65551  2.134969      1362.032       218.6534  1604.200       219.0666      -3.328245      4.269937  
1 1 1 22  2  8  o 6.648045  0.4298157     43.14147       8.070868  46.21716       7.909186      -0.2353280     0.8596315 
1 1 1 22  2  9  o 22.15769  1.230586      439.4550       75.88817  582.2415       76.17339      -3.252464      2.461172  
1 1 1 22  2  10 o 5.575553  0.4297822     27.12694       6.573498  35.77273       6.680221      -0.7880827     0.8595644 
1 1 1 22  2  11 o 6.613319  0.4597648     37.99711       8.583122  50.26019       8.290431      -0.9472464     0.9195296 
1 1 1 22  2  12 o 13.45472  0.7520767     163.9881       28.34143  207.4848       28.19789      -1.635150      1.504153  
1 1 1 22  2  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  2  14 o 6.760380  0.5259593     37.20589       9.974824  56.08615       9.491732      -1.441033      1.051919  
1 1 1 22  2  15 o 6.127956  0.4716718     43.94137       9.244778  34.72356       7.110842      0.7042584      0.9433437 
1 1 1 22  2  16 o 2.945805  0.5705981     7.260885       5.053274  11.07809       4.895520      -0.5570270     1.141196  
1 1 1 22  2  17 o 2.245324  0.5802323     7.405820       5.081185  0.8305002      5.139604      0.7605350      1.160465  
1 1 1 22  2  18 o 5.091002  0.4453947     31.80007       6.240005  23.04658       6.198383      0.8791036      0.8907894 
1 1 1 22  2  19 o 1.641413  0.5213882     2.342692       5.517858  -7.276386      5.530021      0.6235343      1.042776  
1 1 1 22  2  20 o 2.852595  0.6149011     4.973903       5.840675  15.09214       5.927227      -1.255519      1.229802  
1 1 1 22  2  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  2  22 o 1.676875  0.5561600     1.317877       6.733005  -2.549232      6.668681      0.1981665      1.112320  
1 1 1 22  4  0  o 17.37708  0.6653437     296.4219       32.55991  316.1423       32.57645      -0.5692491     1.330687  
1 1 1 22  4  1  o 10.30607  0.4076881     97.44178       11.74296  116.3674       11.88202      -0.9216319     0.8153763 
1 1 1 22  4  2  o 4.963161  0.2904790     24.45979       4.202501  25.18843       3.896314      -0.7748307E-01 0.5809579 
1 1 1 22  4  3  f 29.29794  1.129246      894.1813       93.22272  883.4207       93.22136      0.1841843      2.258493  
1 1 1 22  4  4  o 3.850605  0.3192934     17.69871       3.318939  12.12996       3.421624      0.7437544      0.6385868 
1 1 1 22  4  5  o 5.881741  0.3012680     32.19336       5.098951  37.18103       4.850963      -0.4298502     0.6025359 
1 1 1 22  4  6  o 7.631102  0.3265129     54.77259       6.972790  62.25317       7.040125      -0.4921010     0.6530257 
1 1 1 22  4  7  o 19.56481  0.7895170     380.0549       40.67500  401.1540       46.98720      -0.4909078     1.579034  
1 1 1 22  4  8  o 10.27036  0.3968086     102.4007       11.46991  109.8243       11.48712      -0.3625903     0.7936171 
1 1 1 22  4  9  o 39.94620  1.565189      1673.742       176.0593  1730.801       176.2017      -0.7143800     3.130378  
1 1 1 22  4  10 o 1.753795  0.4748732     2.362728       3.288944  1.811146       3.303799      0.7620681E-01  0.9497463 
1 1 1 22  4  11 o 14.31911  0.5619615     201.3682       22.63411  214.4772       22.69148      -0.4588410     1.123923  
1 1 1 22  4  12 o 22.68326  0.8861710     513.0012       56.56611  554.3856       56.64515      -0.9144326     1.772342  
1 1 1 22  4  13 o 4.229711  0.4213192     19.90620       4.915308  16.76084       4.859938      0.3794058      0.8426383 
1 1 1 22  4  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  4  15 o 3.183347  0.5516434     15.54853       4.934342  3.544169       6.359061      1.505046       1.103287  
1 1 1 22  4  16 o 11.44022  0.7207788     132.4149       23.21836  149.7411       22.87403      -0.7794860     1.441558  
1 1 1 22  4  17 o 6.171813  0.5729132     36.24316       10.11639  45.03605       9.356925      -0.7734089     1.145826  
1 1 1 22  4  18 o 2.488380  0.7033304     5.473097       7.985159  4.676373       7.038554      0.1480467      1.406661  
1 1 1 22  4  19 o 2.823487  0.7434145     6.134182       8.540464  11.97451       7.807160      -0.5191719     1.486829  
1 1 1 22  4  20 o 2.511385  0.7076200     0.8935445      8.577509  12.42174       7.863190      -0.8671190     1.415240  
1 1 1 22  4  21 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  6  0  o 12.56295  0.4814881     148.3874       17.00425  169.5920       17.04459      -0.8472781     0.9629762 
1 1 1 22  6  1  o 24.85133  0.9630996     617.7160       67.40483  649.1528       67.43996      -0.6342803     1.926199  
1 1 1 22  6  2  o 22.26690  0.8513906     486.2020       53.36141  525.0853       53.43061      -0.8756514     1.702781  
1 1 1 22  6  3  o 9.417910  0.3807244     83.06097       9.988647  95.37564       10.18565      -0.6554077     0.7614489 
1 1 1 22  6  4  o 17.98434  0.6972993     316.2839       35.29040  339.3358       35.34895      -0.6427552     1.394599  
1 1 1 22  6  5  o 30.22265  1.134932      920.3665       96.61714  963.7662       96.68284      -0.7195935     2.269865  
1 1 1 22  6  6  o 19.67597  0.7215121     388.5894       40.00961  396.7509       40.01987      -0.2079004     1.443024  
1 1 1 22  6  7  o 20.15267  0.7572890     405.2415       42.99445  419.9077       43.01675      -0.3648105     1.514578  
1 1 1 22  6  8  o 9.673571  0.3888489     89.55882       10.55619  98.73434       10.61978      -0.4757879     0.7776977 
1 1 1 22  6  9  o 9.295471  0.3826088     80.33434       10.00591  93.48249       9.994810      -0.7109329     0.7652177 
1 1 1 22  6  10 o 11.30985  0.4444492     123.3630       14.11331  134.7511       14.19307      -0.5047581     0.8888985 
1 1 1 22  6  11 f 6.756160  0.5562113     48.81322       12.68013  45.78185       9.067141      0.1623796      1.112423  
1 1 1 22  6  12 f 6.560787  0.3486460     44.22044       6.398649  42.84605       6.445022      0.1059382      0.6972921 
1 1 1 22  6  13 o 21.79568  0.8769811     497.8083       53.85062  501.5103       53.82972      -0.8564497E-01 1.753962  
1 1 1 22  6  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  6  15 o 3.221660  0.5412076     6.510397       5.074374  15.13662       5.062405      -1.230767      1.082415  
1 1 1 22  6  16 o 4.767978  0.4564470     28.76741       5.997231  18.62007       5.830029      1.089075       0.9128940 
1 1 1 22  6  17 o 5.808370  0.4139798     39.24366       6.843888  31.40501       6.525807      0.6701961      0.8279597 
1 1 1 22  6  18 f 3.685470  0.5790549     12.96691       5.918375  17.82785       5.907852      -0.6464863     1.158110  
1 1 1 22  6  19 o 3.267207  0.6261591     9.656690       5.979888  16.43552       6.160342      -0.8830932     1.252318  
1 1 1 22  6  20 o 1.937095  0.5699439     -5.620652      6.125145  8.306740       6.124991      -1.036741      1.139888  
1 1 1 22  6  21 o 4.298157  0.6373707     25.06299       7.418613  26.68655       7.582510      -0.1527943     1.274741  
1 1 1 22  8  0  o 25.63400  0.9649006     641.4697       69.61115  703.2723       69.71363      -1.209001      1.929801  
1 1 1 22  8  1  o 12.31026  0.4859067     140.2536       16.78567  164.9781       16.85802      -1.008556      0.9718135 
1 1 1 22  8  2  o 13.44336  0.5274343     178.8756       19.93940  185.8932       20.00783      -0.2614304     1.054869  
1 1 1 22  8  3  o 30.38739  1.159470      939.0560       99.24449  968.4075       99.30795      -0.4838012     2.318940  
1 1 1 22  8  4  o 3.230838  0.4071120     7.899346       3.767142  13.08140       3.450282      -0.8284532     0.8142240 
1 1 1 22  8  5  o 42.89293  1.655562      1930.167       200.0383  1987.181       200.1063      -0.6657550     3.311123  
1 1 1 22  8  6  o 15.33783  0.5774258     241.9987       24.98857  233.4567       24.92464      0.2788827      1.154852  
1 1 1 22  8  7  o 6.375601  0.3244674     44.49227       5.767164  37.18305       5.830910      0.5784164      0.6489347 
1 1 1 22  8  8  o 24.36168  0.9306224     609.5201       63.87530  610.5487       63.89792      -0.2093200E-01 1.861245  
1 1 1 22  8  9  o 20.00753  0.7605683     389.2843       42.80857  428.2439       42.89746      -0.9763746     1.521137  
1 1 1 22  8  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  8  11 o 8.153041  0.3751585     63.76169       8.508922  70.55157       8.687527      -0.4166156     0.7503170 
1 1 1 22  8  12 o 7.304736  0.3753961     56.61656       7.681695  51.37160       7.712432      0.3617793      0.7507921 
1 1 1 22  8  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  8  14 o 3.674238  0.5317805     13.61364       5.343191  15.04757       5.337701      -0.1959438     1.063561  
1 1 1 22  8  15 o 8.270288  0.4109383     65.83015       9.534592  74.60966       9.544837      -0.5340451     0.8218766 
1 1 1 22  8  16 o 6.499578  0.4115828     41.02937       7.512884  46.64415       7.438050      -0.4392516     0.8231657 
1 1 1 22  8  17 o 5.448308  0.4458205     29.32368       6.931929  33.57377       6.542461      -0.4193288     0.8916410 
1 1 1 22  8  18 o 4.218082  0.5570347     23.69806       6.518867  16.75787       6.263576      0.8153816      1.114069  
1 1 1 22  8  19 o 1.979851  0.5790146     -5.007549      6.096493  7.998221       6.203896      -1.015728      1.158029  
1 1 1 22  8  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  8  21 o 2.018103  0.6155350     10.43105       7.059083  -2.120623      7.161098      0.8272076      1.231070  
1 1 1 22  10 0  o 10.92858  0.4663939     122.3975       15.46322  118.9458       13.44434      0.1451095      0.9327879 
1 1 1 22  10 1  o 26.10013  0.9705203     715.2696       71.39618  679.1680       71.35815      0.6934270      1.941041  
1 1 1 22  10 2  o 21.43558  0.8255171     458.2200       49.82450  477.3611       49.88254      -0.4474570     1.651034  
1 1 1 22  10 3  o 26.37715  1.000320      690.5663       74.27616  736.1103       74.38555      -0.8652266     2.000641  
1 1 1 22  10 4  o 10.17853  0.4229092     98.52248       12.16829  109.9203       12.05510      -0.5633343     0.8458185 
1 1 1 22  10 5  o 29.73551  1.201621      903.4794       108.6669  930.9446       94.14120      -0.6368697     2.403242  
1 1 1 22  10 6  o 25.80188  0.9579523     693.9837       69.68611  674.4976       69.63314      0.3781589      1.915905  
1 1 1 22  10 7  o 21.98917  0.8454199     502.0897       52.38585  488.8001       52.37240      0.3029834      1.690840  
1 1 1 22  10 8  o 22.64976  0.8873674     551.1525       56.62920  505.1377       56.55349      1.018814       1.774735  
1 1 1 22  10 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  10 10 o 3.097869  0.5264421     13.25549       4.702309  6.408468       4.700982      1.021691       1.052884  
1 1 1 22  10 11 o 16.42430  0.6589901     272.5099       30.44972  282.2382       30.51844      -0.2961133     1.317980  
1 1 1 22  10 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  10 13 o 10.55818  0.4617593     106.6157       13.68904  121.3161       13.72167      -0.6992596     0.9235186 
1 1 1 22  10 14 o 6.154243  0.4123227     38.18925       7.086085  39.85827       7.094248      -0.1367052     0.8246453 
1 1 1 22  10 15 o 6.167259  0.4158631     34.78262       7.115620  43.92958       7.153770      -0.7506831     0.8317261 
1 1 1 22  10 16 o 2.407203  0.6163687     1.488960       5.928958  8.643218       5.574450      -0.7626449     1.232737  
1 1 1 22  10 17 o 2.872652  0.6537399     8.641497       6.350079  10.38624       5.820627      -0.2178984     1.307480  
1 1 1 22  10 18 f 5.179631  0.5327772     22.77889       7.573735  38.13997       7.259979      -1.568409      1.065554  
1 1 1 22  10 19 o 1.934378  0.5528485     10.95157       6.659088  -13.44675      6.522275      1.539102       1.105697  
1 1 1 22  10 20 o 2.631219  0.7022567     8.879747       7.273646  12.98644       7.196376      -0.4049463     1.404513  
1 1 1 22  10 21 o 1.637287  0.5570604     -5.143367      7.624745  0.8790607      7.666271      -0.2335722     1.114121  
1 1 1 22  12 0  o 13.27363  0.5185234     184.1141       19.31646  171.4120       19.45165      0.4811974      1.037047  
1 1 1 22  12 1  o 21.94320  0.8546839     500.1154       52.81200  483.6789       52.85821      0.3761560      1.709368  
1 1 1 22  12 2  o 13.10990  0.5191733     168.7974       19.14004  178.3080       19.19835      -0.3635894     1.038347  
1 1 1 22  12 3  o 10.20404  0.4304080     103.0805       12.26465  106.9688       12.46594      -0.1897820     0.8608159 
1 1 1 22  12 4  o 15.88898  0.6099243     255.5371       27.35502  256.3125       27.26057      -0.2523400E-01 1.219849  
1 1 1 22  12 5  o 36.36812  1.508251      1450.710       166.8790  1399.154       144.4564      0.3126229      3.016502  
1 1 1 22  12 6  o 9.939412  0.4115121     108.7847       11.61525  90.45773       11.37213      0.9246259      0.8230243 
1 1 1 22  12 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  12 8  o 14.75540  0.5933410     230.7571       24.60786  212.3551       24.68706      0.6270074      1.186682  
1 1 1 22  12 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  12 10 o 11.94484  0.5009795     144.1140       16.73595  146.6610       16.96458      -0.1039144     1.001959  
1 1 1 22  12 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  12 12 o 7.993895  0.4125494     60.36874       9.219688  69.94454       9.277233      -0.6022370     0.8250988 
1 1 1 22  12 13 o 3.691440  0.5998816     15.16839       6.125575  14.39757       6.139858      0.1018238      1.199763  
1 1 1 22  12 14 o 5.300034  0.4721660     24.90656       6.820730  33.80062       6.911379      -0.8562799     0.9443319 
1 1 1 22  12 15 o 2.056870  0.6062836     -1.517267      6.108885  4.356453       6.009877      -0.4869810     1.212567  
1 1 1 22  12 16 o 8.720885  0.4646313     78.71100       11.36824  84.77662       11.37186      -0.3498574     0.9292626 
1 1 1 22  12 17 o 7.382466  0.4883929     46.37276       9.916658  74.85712       9.700282      -1.981792      0.9767858 
1 1 1 22  12 18 o 7.724055  0.4876991     64.32965       10.56017  73.10310       10.48771      -0.5824834     0.9753982 
1 1 1 22  12 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  12 20 o 3.590273  0.7560961     20.94591       8.531287  25.13602       8.188749      -0.5437813     1.512192  
1 1 1 22  14 0  o 15.37493  0.5991119     248.2897       25.83815  231.0642       26.04735      0.5641634      1.198224  
1 1 1 22  14 1  o 10.07757  0.4432465     112.8023       12.36079  91.79929       12.70754      1.052263       0.8864930 
1 1 1 22  14 2  o 4.579236  0.4454811     22.91189       5.657237  19.98752       5.556902      0.3242427      0.8909621 
1 1 1 22  14 3  o 4.373248  0.5149758     21.80039       5.810471  16.99776       6.567460      0.5836607      1.029952  
1 1 1 22  14 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  14 5  o 9.392216  0.4223364     103.4351       11.24878  75.21606       10.92288      1.509314       0.8446729 
1 1 1 22  14 6  o 14.41353  0.5738240     219.7650       23.30766  202.9069       23.26637      0.5866084      1.147648  
1 1 1 22  14 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  14 8  o 14.51473  0.5971434     220.0692       24.31951  211.3818       24.49208      0.3028964      1.194287  
1 1 1 22  14 9  o 6.021197  0.4223050     33.04038       6.880981  40.98730       7.272698      -0.6607578     0.8446100 
1 1 1 22  14 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  14 11 o 4.950892  0.5131488     25.36629       7.030713  25.99714       6.914802      -0.6919134E-01 1.026298  
1 1 1 22  14 12 o 10.53366  0.4807681     120.7145       14.29499  109.0586       14.17605      0.5529063      0.9615363 
1 1 1 22  14 13 o 3.605453  0.6458386     17.28168       6.703997  11.36823       6.647504      0.7494754      1.291677  
1 1 1 22  14 14 o 3.479590  0.6650388     13.25136       6.637949  14.52209       6.767607      -0.1580718     1.330078  
1 1 1 22  14 15 o 2.608460  0.6863705     6.985385       6.969403  7.097232       6.579742      0.9651413E-02  1.372741  
1 1 1 22  14 16 o 7.600736  0.4851745     57.50018       10.30660  70.43883       10.25105      -0.8667104     0.9703491 
1 1 1 22  14 17 o 2.399733  0.6756629     1.563916       7.561070  10.32753       7.073248      -0.7157844     1.351326  
1 1 1 22  14 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  14 19 o 2.125024  0.6666977     1.993547       8.551316  9.054490       7.901426      -0.4026979     1.333395  
1 1 1 22  14 20 o 1.672794  0.5522122     -20.89234      8.960319  12.32621       8.375767      -1.057518      1.104424  
1 1 1 22  16 0  o 15.75809  0.6367869     256.8347       28.09725  250.4618       28.42959      0.2069646      1.273574  
1 1 1 22  16 1  o 15.69882  0.6381012     265.7448       27.99461  237.0377       28.38526      0.9235439      1.276202  
1 1 1 22  16 2  o 3.768554  0.6102892     11.13657       6.507987  18.24718       6.416206      -0.9071735     1.220578  
1 1 1 22  16 3  o 11.91841  0.5103316     153.5586       17.01432  134.6312       17.19109      0.8004062      1.020663  
1 1 1 22  16 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  16 5  o 3.682498  0.6457361     10.12842       7.600359  17.24663       6.412672      -0.8624699     1.291472  
1 1 1 22  16 6  o 15.54798  0.6311931     265.7026       27.64217  230.9339       27.56295      1.122207       1.262386  
1 1 1 22  16 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  16 8  o 3.103356  0.8732377     10.52631       12.04941  1.624622       11.43014      0.6731743      1.746475  
1 1 1 22  16 9  o 3.979112  0.6351613     11.98380       6.808211  21.88991       7.336077      -1.191033      1.270323  
1 1 1 22  16 10 o 12.55917  0.5553417     168.0377       19.46619  160.9525       19.78715      0.2923328      1.110683  
1 1 1 22  16 11 f 2.724394  0.6952441     7.214017       6.829850  6.991201       6.893475      0.1950469E-01  1.390488  
1 1 1 22  16 12 o 3.523910  0.6455445     4.917562       7.477196  21.39098       7.088857      -1.876307      1.291089  
1 1 1 22  16 13 o 4.541826  0.6779912     22.42803       9.086588  24.82597       7.977880      -0.3405273     1.355982  
1 1 1 22  16 14 o 5.631900  0.5524474     30.94615       8.431727  39.76997       8.596849      -0.7906695     1.104895  
1 1 1 22  16 15 o 3.235289  0.7407433     15.29298       7.911170  12.15568       7.621005      0.3384072      1.481487  
1 1 1 22  16 16 o 2.447241  0.7124919     6.359752       8.313920  7.050136       7.634022      -0.2910063E-01 1.424984  
1 1 1 22  16 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  16 18 o 3.332892  0.7755297     14.19077       9.639325  27.78969       8.999374      -1.366968      1.551059  
1 1 1 22  16 19 o 2.120156  0.6900285     15.83099       10.06777  3.582749       9.640884      0.5502673      1.380057  
1 1 1 22  18 0  o 4.806150  0.6980398     21.40898       7.753303  29.67230       11.31950      -0.7548345     1.396080  
1 1 1 22  18 1  o 27.29659  1.127565      865.2755       86.50790  756.0346       86.59326      2.013594       2.255129  
1 1 1 22  18 2  o 11.93782  0.5314968     176.9067       17.79950  116.2323       17.41929      2.553639       1.062994  
1 1 1 22  18 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  18 5  o 17.29479  0.7618582     348.2773       39.93993  285.7149       34.44354      1.672919       1.523716  
1 1 1 22  18 6  o 9.694614  0.4853723     103.8736       13.21208  88.96731       13.18699      0.7737970      0.9707446 
1 1 1 22  18 7  o 2.154208  0.6465217     -7.517352      7.351458  5.860775       7.981890      -0.9921228     1.293043  
1 1 1 22  18 8  o 5.863588  0.5610473     27.91703       8.652209  44.59330       9.205058      -1.441348      1.122095  
1 1 1 22  18 9  o 2.859383  0.7397183     9.261152       7.515110  5.854888       8.297880      0.2779607      1.479437  
1 1 1 22  18 10 o 5.112301  0.6162388     25.12729       8.221353  32.29985       8.922054      -0.6770995     1.232478  
1 1 1 22  18 11 o 3.940627  0.7084357     19.65764       7.915771  16.43251       7.953483      0.3795196      1.416871  
1 1 1 22  18 12 o 1.850311  0.6042588     -12.49752      8.104581  1.153679       7.818720      -0.6110061     1.208518  
1 1 1 22  18 13 o 3.783170  0.6571148     33.68626       9.139487  0.1214888      8.643155      3.166572       1.314230  
1 1 1 22  18 14 o 2.634194  0.7462344     11.41071       8.638062  4.372763       8.692402      0.5551773      1.492469  
1 1 1 22  18 15 o 2.399251  0.7232210     9.985725       9.011192  2.546147       8.653067      0.5117894      1.446442  
1 1 1 22  18 16 o 2.427243  0.8257797     20.08666       17.07320  -13.24251      18.85201      0.7526281      1.651559  
1 1 1 22  18 17 o 1.806393  0.6196193     -2.579594      10.20330  -2.837606      9.558616      0.4359880E-01  1.239239  
1 1 1 22  20 0  o 11.13811  0.5413665     121.3521       16.76426  135.7983       17.10666      -0.6437643     1.082733  
1 1 1 22  20 1  o 12.74255  0.5912814     178.5889       20.85442  159.3529       21.50250      0.7768356      1.182563  
1 1 1 22  20 2  o 10.92670  0.5538797     149.3915       16.46088  99.26067       16.97882      2.331423       1.107759  
1 1 1 22  20 3  o 3.262456  0.8107970     12.88352       9.166211  7.959802       9.626246      0.4374549      1.621594  
1 1 1 22  20 4  o 4.418906  0.7533514     21.15895       9.983825  22.23902       8.795689      -0.1520517     1.506703  
1 1 1 22  20 5  o 4.201935  0.7412208     30.31599       10.04114  9.411615       8.668382      2.158435       1.482442  
1 1 1 22  20 6  o 5.318926  0.6821816     26.76631       9.815090  35.11612       9.923235      -0.7970569     1.364363  
1 1 1 22  20 7  o 7.773973  0.5321288     55.23707       11.09076  73.19296       11.90916      -1.134510      1.064258  
1 1 1 22  20 8  o 5.514874  0.6432218     36.11992       9.068955  30.57877       10.48614      0.6104223      1.286444  
1 1 1 22  20 9  o 3.036483  0.7641782     16.66813       9.055279  1.722271       9.160532      1.301815       1.528356  
1 1 1 22  20 10 o 4.036732  0.7921506     18.90054       8.969542  22.09274       9.794245      -0.2928663     1.584301  
1 1 1 22  20 11 f 3.246889  0.7697986     18.64670       8.848018  7.820453       8.664362      1.067168       1.539597  
1 1 1 22  20 12 o 2.657895  0.7402447     15.24383       9.121578  -1.062692      9.251857      1.187524       1.480489  
1 1 1 22  20 13 o 2.541737  0.7739355     4.629559       10.47469  9.203979       9.878381      -0.2567949     1.547871  
1 1 1 22  20 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  20 15 o 3.103042  0.7550151     35.13296       10.97348  -0.4477035     10.33144      2.427478       1.510030  
1 1 1 22  22 0  o 12.70342  0.6144159     175.7246       21.92875  172.4715       21.95635      0.1299325      1.228832  
1 1 1 22  22 1  o 7.038634  0.7579618     68.88573       12.94942  40.18189       15.95599      2.300316       1.515924  
1 1 1 22  22 2  o 10.01031  0.5754642     121.0175       15.95910  93.34470       16.15896      1.407539       1.150928  
1 1 1 22  22 3  o 3.544594  0.8524296     2.455416       10.53665  25.66730       12.38430      -1.943034      1.704859  
1 1 1 22  22 4  o 2.983081  0.8277996     6.608215       11.36030  9.071763       9.338954      -0.6235966E-01 1.655599  
1 1 1 22  22 5  o 4.144276  0.8385906     26.72174       10.97723  15.36455       10.09517      1.099864       1.677181  
1 1 1 22  22 6  o 7.994453  0.5969772     63.61076       12.84301  78.34193       13.67331      -0.8776320     1.193954  
1 1 1 22  22 7  o 8.156037  0.6210720     71.32809       13.55439  80.15996       14.67924      -0.4578499     1.242144  
1 1 1 22  22 8  o 5.906052  0.7217506     45.75431       10.90925  37.64588       12.60793      0.8945928      1.443501  
1 1 1 22  22 9  o 3.645232  0.7467999     33.02322       10.52426  -2.926893      11.20440      2.827556       1.493600  
1 1 1 22  22 10 o 2.178040  0.7224635     -1.630904      11.79347  -4.309786      10.73182      0.1857775      1.444927  
1 1 1 22  22 11 o 3.660754  0.8852590     19.30874       10.88331  25.49034       11.32255      -0.5095769     1.770518  
1 1 1 22  22 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  22 13 o 2.681377  0.8071575     25.05401       12.07793  3.096189       11.91644      1.161112       1.614315  
1 1 1 22  24 0  o 3.733927  0.9307591     15.39403       11.90426  22.52946       12.75667      -0.5706588     1.861518  
1 1 1 22  24 1  o 3.644864  0.9371604     17.77822       11.81523  17.87684       13.30867      0.9782818E-02  1.874321  
1 1 1 22  24 2  o 5.949851  0.8048806     45.34577       12.85239  43.64253       13.26758      0.1926997      1.609761  
1 1 1 22  24 3  f 6.067291  0.9066945     50.48024       13.54808  48.08181       18.26813      0.7879122      1.813389  
1 1 1 22  24 4  o 3.076960  0.8295377     23.60878       12.10264  -3.996387      11.82083      1.778426       1.659075  
1 1 1 22  24 5  o 4.353764  0.9264332     23.86244       12.84533  31.51727       12.25666      -0.7431923     1.852866  
1 1 1 22  24 6  o 2.865151  0.8653682     12.60164       11.84071  4.715288       13.62048      0.3785949      1.730736  
1 1 1 22  24 7  o 1.982129  0.6858845     -12.29085      11.26202  -12.39053      14.55340      -0.2565885     1.371769  
1 1 1 22  24 8  o 3.038838  0.8868299     6.907293       12.11377  25.02404       13.92737      -1.049322      1.773660  
1 1 1 22  24 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  24 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  26 0  f 2.544954  0.8324712     1.154107       13.37494  7.577369       14.97352      -0.3002133     1.664942  
1 1 1 22  26 1  o 2.540414  0.8198515     -10.05152      13.84849  18.67239       15.22308      -1.111997      1.639703  
1 1 1 22  26 2  o 3.436333  0.9370075     32.21575       14.21285  11.97669       13.33716      1.279432       1.874015  
1 1 1 22  26 3  o 4.607879  1.133343      46.12288       15.75295  56.24078       25.58329      0.7986359      2.266685  
1 1 1 22  26 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  26 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  26 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 22  26 7  o 2.207031  0.7587231     4.652112       14.72082  -4.765073      15.52811      0.2072786      1.517446  
1 1 1 23  1  0  o 6.546186  0.4416664     51.05700       8.043483  35.58077       7.949410      1.199804       0.8833327 
1 1 1 23  1  1  o 15.12049  0.9646240     232.3611       29.01898  ?              ?             ?              ?         
1 1 1 23  1  2  o 28.25705  1.629283      800.0374       128.8031  911.8383       128.9738      -1.993003      3.258567  
1 1 1 23  1  3  o 21.48262  1.206243      430.9732       72.41188  528.0061       72.51357      -2.279120      2.412486  
1 1 1 23  1  4  o 14.01250  0.7967304     187.2313       31.36324  212.9273       31.17501      -0.9266860     1.593461  
1 1 1 23  1  5  o 41.28389  2.578333      1901.201       297.7350  2045.855       297.8124      -1.766176      5.156666  
1 1 1 23  1  6  o 30.59467  1.762217      946.5854       150.9297  1062.457       151.0381      -1.908136      3.524435  
1 1 1 23  1  7  o 17.94473  0.9661139     292.1974       48.42245  367.0049       48.54041      -2.102662      1.932228  
1 1 1 23  1  8  o 18.36377  1.006563      292.6348       51.35880  400.6668       51.59217      -2.970045      2.013126  
1 1 1 23  1  9  o 20.84717  1.164896      390.7085       67.61463  512.4486       67.86874      -2.947345      2.329792  
1 1 1 23  1  10 o 8.891070  0.5431809     65.13092       13.30700  95.37398       13.43555      -1.722206      1.086362  
1 1 1 23  1  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  1  12 o 4.677198  0.3601969     19.62019       4.653554  24.66808       4.681061      -0.5486589     0.7203938 
1 1 1 23  1  13 o 9.928610  0.4215059     106.7902       11.78597  92.77499       11.74630      0.7089795      0.8430117 
1 1 1 23  1  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  1  15 o 9.449450  0.4210791     91.52149       11.18553  91.04076       11.20835      0.2597297E-01  0.8421582 
1 1 1 23  1  16 o 7.089826  0.3833732     51.33952       7.626362  51.95336       7.632344      -0.4339972E-01 0.7667463 
1 1 1 23  1  17 o 1.834761  0.5480573     -1.175990      4.958618  2.517293       5.000895      -0.3454189     1.096115  
1 1 1 23  1  18 o 5.131092  0.4441980     31.41859       6.262734  24.61962       6.290495      0.6795697      0.8883960 
1 1 1 23  1  19 o 2.851001  0.6318498     8.021502       5.761314  11.44962       5.709162      -0.4511496     1.263700  
1 1 1 23  1  20 o 1.821703  0.5653256     4.405469       5.924644  -3.607316      5.944351      0.5688515      1.130651  
1 1 1 23  1  21 o 2.187909  1.028693      ?              ?         2.156063       11.51728      ?              ?         
1 1 1 23  3  0  o 13.19432  0.5108299     173.8923       18.98126  177.6420       18.99905      -0.1424200     1.021660  
1 1 1 23  3  1  o 13.17731  0.5136418     169.6387       19.05901  180.8201       19.06777      -0.4257135     1.027284  
1 1 1 23  3  2  o 24.13666  0.9317537     597.8014       63.37568  596.1898       63.36098      0.3334855E-01  1.863507  
1 1 1 23  3  3  o 25.85934  0.9981109     679.0102       72.70933  694.7020       72.73550      -0.3040938     1.996222  
1 1 1 23  3  4  o 12.60231  0.4914732     162.2335       17.44529  158.1288       17.45365      0.1634268      0.9829464 
1 1 1 23  3  5  o 32.49704  1.272444      1071.077       116.4473  1124.313       116.5022      -0.8212847     2.544888  
1 1 1 23  3  6  o 25.95193  0.9758145     673.1185       71.33698  705.7954       71.37441      -0.6312180     1.951629  
1 1 1 23  3  7  o 8.975144  0.3598969     84.88072       9.116551  77.05952       9.068262      0.4371963      0.7197939 
1 1 1 23  3  8  o 32.09281  1.237187      1074.927       111.8893  1068.521       111.8644      0.9981363E-01  2.474374  
1 1 1 23  3  9  o 16.26087  0.6286328     269.5661       28.79887  266.6396       28.80544      0.9031372E-01  1.257266  
1 1 1 23  3  10 o 15.47753  0.6500377     236.4329       26.46274  252.7606       30.60656      -0.4889379     1.300075  
1 1 1 23  3  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  3  12 o 10.58355  0.6341124     92.56790       18.61925  136.9497       18.49425      -2.127017      1.268225  
1 1 1 23  3  13 o 5.226360  0.5436852     29.51222       8.240732  27.38698       7.412462      0.1856738      1.087370  
1 1 1 23  3  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  3  15 o 3.813944  0.6828802     18.91678       7.882680  12.97817       6.945009      0.7056010      1.365760  
1 1 1 23  3  16 o 4.352647  0.6248234     11.43287       8.340076  28.56387       7.263064      -1.927806      1.249647  
1 1 1 23  3  17 o 3.300744  0.7059284     10.64791       7.923184  13.52977       6.712073      -0.3343907     1.411857  
1 1 1 23  3  18 o 3.862635  0.7162996     17.65173       8.430166  18.24081       7.528185      -0.1222240     1.432599  
1 1 1 23  3  19 o 3.173169  0.7503121     10.20446       8.704859  15.27094       7.634640      -0.5482767     1.500624  
1 1 1 23  3  20 o 3.888575  0.6553332     11.11090       9.507982  27.36144       7.074766      -1.963502      1.310666  
1 1 1 23  3  21 o 1.484853  0.5062957     -4.600255      6.346605  -6.112667      6.364623      0.6004279E-01  1.012591  
1 1 1 23  5  0  o 31.74168  1.230773      1003.180       109.9623  1090.067       110.0639      -1.372671      2.461547  
1 1 1 23  5  1  o 13.56479  0.6121207     171.2212       23.27756  200.8954       23.36501      -1.099683      1.224241  
1 1 1 23  5  2  o 11.08909  0.4386513     120.4506       13.71259  127.2426       13.68690      -0.3075003     0.8773025 
1 1 1 23  5  3  o 8.108552  0.3458287     65.33118       7.838125  67.01662       7.951111      -0.1035648     0.6916574 
1 1 1 23  5  4  o 7.788182  0.3406012     61.94283       7.437383  60.11707       7.493908      0.1180782      0.6812024 
1 1 1 23  5  5  o 20.89598  0.7972721     435.1718       46.94051  452.7823       46.93858      -0.4227351     1.594544  
1 1 1 23  5  6  o 4.638884  0.3189381     24.19499       4.022762  18.99869       4.207204      0.5719286      0.6378763 
1 1 1 23  5  7  o 3.535135  0.3671858     10.23952       3.558794  15.01190       3.505432      -0.6984844     0.7343716 
1 1 1 23  5  8  o 20.33126  0.7717120     422.2624       44.21732  419.7546       44.21240      0.6181128E-01  1.543424  
1 1 1 23  5  9  o 8.356644  0.3586021     70.39379       8.461323  70.32783       8.411021      0.3582052E-02  0.7172042 
1 1 1 23  5  10 o 9.539946  0.3946633     81.94906       10.53829  101.4725       10.60103      -1.028487      0.7893266 
1 1 1 23  5  11 f 11.50897  0.4697649     131.4645       15.18426  136.7732       15.26538      -0.2306690     0.9395299 
1 1 1 23  5  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  5  13 o 8.873478  0.4049942     80.56259       10.12085  79.28110       10.09910      0.7223094E-01  0.8099884 
1 1 1 23  5  14 o 2.832590  0.5916023     8.077683       5.086021  8.747091       5.054674      -0.9562851E-01 1.183205  
1 1 1 23  5  15 o 7.830686  0.3966614     53.89813       8.641144  71.52498       8.710285      -1.133855      0.7933228 
1 1 1 23  5  16 o 7.342729  0.3976446     44.60115       8.032277  66.93568       8.139336      -1.534033      0.7952892 
1 1 1 23  5  17 o 1.723922  0.5380287     -3.083970      5.322154  0.9108555      5.126519      -0.2734363     1.076057  
1 1 1 23  5  18 o 1.702352  0.5409964     0.2513897      5.578257  -3.217566      5.420245      0.2669443      1.081993  
1 1 1 23  5  19 o 2.693443  0.6454124     6.861755       5.973131  10.76358       5.928018      -0.4760329     1.290825  
1 1 1 23  5  20 o 2.286137  0.7384509     5.728399       14.24377  2.290680       8.272103      0.4234820      1.476902  
1 1 1 23  5  21 f 1.932737  0.6167192     -13.21054      9.294899  10.42670       8.204616      -0.9749707     1.233438  
1 1 1 23  7  0  o 22.26059  0.8496762     493.3352       53.26564  516.5757       53.31246      -0.5233094     1.699352  
1 1 1 23  7  1  o 33.28260  1.288367      1115.980       120.7346  1188.197       120.8231      -1.087727      2.576734  
1 1 1 23  7  2  o 31.45852  1.208052      992.0515       107.0002  1056.807       107.0987      -1.031745      2.416105  
1 1 1 23  7  3  o 8.705053  0.3626715     73.22443       8.844758  79.20930       8.926607      -0.3446347     0.7253430 
1 1 1 23  7  4  o 34.54418  1.350003      1226.169       131.3368  1264.656       131.4176      -0.5579267     2.700006  
1 1 1 23  7  5  o 25.62894  0.9795513     665.7222       70.73589  680.3258       70.74401      -0.2856973     1.959103  
1 1 1 23  7  6  o 9.795714  0.3938760     98.80222       10.90459  94.40543       10.82752      0.2247161      0.7877521 
1 1 1 23  7  7  o 18.12366  0.6891165     335.7394       35.19764  331.2362       35.19143      0.1245586      1.378233  
1 1 1 23  7  8  o 13.62278  0.5303703     176.7172       20.32333  198.1631       20.35280      -0.7901973     1.060741  
1 1 1 23  7  9  o 21.75014  0.8281636     475.2041       50.72203  495.6265       50.78032      -0.4703006     1.656327  
1 1 1 23  7  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  7  11 o 11.48922  0.4762461     129.6561       15.34516  138.0491       15.46154      -0.3654014     0.9524922 
1 1 1 23  7  12 o 13.58916  0.5518584     180.5887       21.06726  196.4134       21.15282      -0.5834099     1.103717  
1 1 1 23  7  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  7  14 o 4.979095  0.4322661     26.96116       5.950803  24.17840       5.953265      0.2846313      0.8645322 
1 1 1 23  7  15 o 2.067410  0.5831856     1.128793       5.183356  3.856611       5.197830      -0.2871290     1.166371  
1 1 1 23  7  16 o 2.213854  0.5462684     -4.564426      5.345922  9.920949       5.254297      -1.475069      1.092537  
1 1 1 23  7  17 o 2.071085  0.5609508     -4.520659      5.575697  8.111890       5.427715      -1.157550      1.121902  
1 1 1 23  7  18 o 1.603550  0.5231234     0.2944854      5.861026  -7.285818      5.703338      0.4647898      1.046247  
1 1 1 23  7  19 o 2.003522  0.5725387     9.141284       6.191150  -6.092161      6.071532      1.195441       1.145077  
1 1 1 23  7  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  7  21 o 1.925518  0.6081228     5.751518       6.869742  1.132133       6.813301      0.2991633      1.216246  
1 1 1 23  9  0  o 24.41358  0.9350835     606.6737       64.30888  612.2629       64.34674      -0.1144856     1.870167  
1 1 1 23  9  1  f 11.49855  0.4661297     130.3713       15.06635  136.1530       15.12113      -0.2519600     0.9322594 
1 1 1 23  9  2  f 31.15158  1.203423      987.5890       105.5942  1022.181       105.6427      -0.5564815     2.406847  
1 1 1 23  9  3  o 10.06816  0.4383792     95.84316       11.49143  109.6246       13.51455      -0.6720819     0.8767584 
1 1 1 23  9  4  o 30.32667  1.176190      901.3782       100.3445  1002.239       100.4934      -1.668050      2.352380  
1 1 1 23  9  5  o 6.650828  0.3349646     42.67398       6.258559  46.39132       6.253718      -0.2811986     0.6699293 
1 1 1 23  9  6  o 17.78267  0.6741006     319.7680       33.79522  322.4043       33.76688      -0.7457228E-01 1.348201  
1 1 1 23  9  7  o 7.253695  0.4036872     53.29657       7.012494  52.99090       10.36598      0.5704518E-01  0.8073745 
1 1 1 23  9  8  o 21.96346  0.8502824     504.8824       52.61437  486.9911       52.61180      0.4085786      1.700565  
1 1 1 23  9  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  9  10 o 4.135618  0.4505042     17.16719       5.085264  18.13652       5.113257      -0.1191700     0.9010084 
1 1 1 23  9  11 o 3.965819  0.4842355     15.65764       5.272175  17.03355       5.196321      -0.1795692     0.9684709 
1 1 1 23  9  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  9  13 o 1.712847  0.5389799     -1.874313      5.251268  -1.676192      5.264776      -0.1731793E-01 1.077960  
1 1 1 23  9  14 o 8.435823  0.4215724     77.22783       9.976502  68.82950       9.990195      0.5013750      0.8431447 
1 1 1 23  9  15 o 6.811073  0.4075480     39.78299       7.652754  56.20958       7.756590      -1.217622      0.8150959 
1 1 1 23  9  16 o 4.893531  0.4797102     22.88433       6.531902  28.05430       6.346473      -0.5533035     0.9594204 
1 1 1 23  9  17 o 1.706599  0.5485165     -3.617052      5.900012  -0.8951663     5.724410      -0.1475277     1.097033  
1 1 1 23  9  18 o 1.877181  0.5840433     -2.970280      6.413820  2.981974       5.964819      -0.3637538     1.168087  
1 1 1 23  9  19 o 2.652835  0.6823457     10.06558       6.780382  8.978629       6.480958      0.1127199      1.364691  
1 1 1 23  9  20 o 1.960433  0.6160453     0.9792593      6.941597  4.660153       6.864954      -0.2359153     1.232091  
1 1 1 23  11 0  o 30.25947  1.144943      914.3745       97.50461  981.2679       97.68362      -1.107142      2.289886  
1 1 1 23  11 1  o 6.696869  0.3606341     39.33749       6.498924  51.28859       7.018632      -0.8943685     0.7212682 
1 1 1 23  11 2  o 21.43411  0.8820534     452.5987       49.72971  491.7198       57.47485      -0.8401527     1.764107  
1 1 1 23  11 3  o 5.435889  0.3740572     21.73617       5.233224  38.80593       5.905968      -1.585365      0.7481145 
1 1 1 23  11 4  o 20.89927  0.7851454     419.1920       46.15228  471.0962       46.24919      -1.245788      1.570291  
1 1 1 23  11 5  o 22.39109  0.8619673     504.7675       54.36817  523.6185       54.38542      -0.4221057     1.723935  
1 1 1 23  11 6  o 29.92719  1.147215      951.8560       96.77027  924.4268       96.70289      0.4586924      2.294431  
1 1 1 23  11 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  11 8  o 5.908732  0.3867387     38.13272       6.294399  32.38821       6.460971      0.4946508      0.7734774 
1 1 1 23  11 9  o 14.67393  0.6883075     199.1645       28.25144  242.7205       28.40330      -1.492142      1.376615  
1 1 1 23  11 10 o 18.72334  0.7412629     335.1916       38.92492  390.3242       39.14550      -1.475366      1.482526  
1 1 1 23  11 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  11 12 o 2.022545  0.5991561     1.094689       6.003871  0.8588646      5.536004      0.9313772E-01  1.198312  
1 1 1 23  11 13 o 13.32104  0.5700706     179.1343       21.34728  191.4247       21.39222      -0.4620153     1.140141  
1 1 1 23  11 14 o 4.263685  0.5428867     21.63304       6.248395  17.15262       6.357499      0.5429832      1.085773  
1 1 1 23  11 15 o 1.796821  0.5631546     -4.933802      5.891841  1.723330       5.930809      -0.4715398     1.126309  
1 1 1 23  11 16 o 8.724531  0.4552595     79.60458       11.15072  83.45837       11.15412      -0.2219840     0.9105191 
1 1 1 23  11 17 o 7.451400  0.4658686     68.72240       9.758827  53.39111       9.573022      1.026524       0.9317372 
1 1 1 23  11 18 o 3.209867  0.6751777     19.46383       7.216172  8.210404       6.743370      1.291905       1.350355  
1 1 1 23  11 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  11 20 f 1.885831  0.6143038     4.726087       7.730000  -0.1187891     7.550801      0.2621133      1.228608  
1 1 1 23  13 0  o 13.18844  0.5199357     176.5400       19.17835  175.3905       19.46077      0.4599296E-01  1.039871  
1 1 1 23  13 1  o 9.308710  0.4262735     91.50832       10.96670  83.07818       11.35392      0.4588002      0.8525469 
1 1 1 23  13 2  o 21.56362  0.8346800     489.6414       50.71420  464.1181       50.68743      0.5935220      1.669360  
1 1 1 23  13 3  o 19.07080  0.7528261     375.4133       40.40855  368.4405       40.48160      0.1841887      1.505652  
1 1 1 23  13 4  o 21.73410  0.7985069     480.3903       48.92541  489.0255       48.90842      -0.1994076     1.597014  
1 1 1 23  13 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  13 6  o 18.52148  0.7127447     382.2958       37.17137  320.1095       37.06107      1.685345       1.425489  
1 1 1 23  13 7  o 14.26032  0.5614551     198.2804       22.47427  215.6857       22.61370      -0.6109342     1.122910  
1 1 1 23  13 8  o 4.335026  0.5246667     22.44882       6.010080  15.94818       6.413522      0.7829686      1.049333  
1 1 1 23  13 9  f 16.85715  0.6761429     287.7661       32.02264  299.5796       32.17936      -0.3488252     1.352286  
1 1 1 23  13 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  13 11 o 7.814161  0.4318810     57.69806       9.362239  67.26694       9.543806      -0.6134006     0.8637620 
1 1 1 23  13 12 o 8.887600  0.4535894     74.91345       11.32114  87.77069       11.28752      -0.7297181     0.9071789 
1 1 1 23  13 13 o 7.941203  0.4434099     72.38068       9.848678  58.40959       9.839598      0.8880165      0.8868199 
1 1 1 23  13 14 o 5.743703  0.4813922     34.50691       7.601121  35.85576       7.735437      -0.1123940     0.9627844 
1 1 1 23  13 15 o 6.385422  0.4733405     42.80036       8.452915  45.20712       8.384605      -0.1950403     0.9466809 
1 1 1 23  13 16 o 7.252455  0.4740152     54.04242       9.566184  61.79798       9.626185      -0.5358769     0.9480304 
1 1 1 23  13 17 o 5.250711  0.5759102     24.05854       8.246490  41.51741       7.997194      -1.751315      1.151820  
1 1 1 23  13 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  13 19 o 3.055758  0.7561408     15.24937       8.437930  18.48885       7.910364      -0.3976220     1.512282  
1 1 1 23  13 20 o 1.905929  0.6330318     5.102551       8.860270  3.691958       8.514278      0.6795605E-01  1.266064  
1 1 1 23  15 0  o 10.56732  0.4650388     114.6922       13.49704  111.3777       14.18739      0.1645212      0.9300776 
1 1 1 23  15 1  o 3.203061  0.6940248     12.53237       6.203747  5.646378       8.908042      0.5908992      1.388050  
1 1 1 23  15 2  o 6.016900  0.4353914     39.75801       7.260674  33.68927       7.314471      0.5125228      0.8707827 
1 1 1 23  15 3  o 19.51362  0.7808067     394.5537       42.89093  391.0577       42.94648      0.9067476E-01  1.561613  
1 1 1 23  15 4  o 3.057134  0.6658014     10.87494       6.575477  8.325245       6.115189      0.3441193      1.331603  
1 1 1 23  15 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  15 6  o 5.265342  0.4918937     30.89901       7.113979  25.98072       7.137566      0.4783641      0.9837874 
1 1 1 23  15 7  o 12.28092  0.6034083     145.1129       17.84409  170.7027       25.31092      -0.9060885     1.206817  
1 1 1 23  15 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  15 9  o 17.19587  0.7000958     307.3828       33.77599  313.6682       34.03626      -0.1767344     1.400192  
1 1 1 23  15 10 o 12.39402  0.5428706     152.7622       18.78175  166.2343       19.07210      -0.5384819     1.085741  
1 1 1 23  15 11 o 7.812862  0.4597116     50.88762       9.801727  75.98089       10.08298      -1.616985      0.9194232 
1 1 1 23  15 12 o 5.066247  0.5664552     25.91924       8.051151  29.31904       7.646371      -0.3664756     1.132910  
1 1 1 23  15 13 o 3.904745  0.6623703     22.85179       7.621649  11.82634       7.175046      1.294928       1.324741  
1 1 1 23  15 14 o 7.283967  0.4840156     59.75371       9.751393  55.22440       9.946375      0.3268036      0.9680311 
1 1 1 23  15 15 o 5.509757  0.5617616     32.86744       8.469609  36.99729       8.505597      -0.3800349     1.123523  
1 1 1 23  15 16 o 2.321439  0.6836084     2.939092       7.690564  7.127096       7.375530      -0.3077613     1.367217  
1 1 1 23  15 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  15 18 o 2.627871  0.7320964     18.98425       8.903477  6.269922       8.195026      0.9825853      1.464193  
1 1 1 23  15 19 o 1.978922  0.6518272     2.041696       9.420584  8.404345       8.685546      -0.2718305     1.303654  
1 1 1 23  17 0  o 10.94688  0.5094368     126.6940       15.28836  117.1750       16.09890      0.4490277      1.018874  
1 1 1 23  17 1  o 4.856216  0.6469201     23.81932       7.769525  26.51448       9.650591      -0.2283721     1.293840  
1 1 1 23  17 2  o 6.470108  0.4974311     41.97108       9.014029  43.97302       8.895663      -0.1591765     0.9948623 
1 1 1 23  17 3  o 8.372474  0.4717953     74.50179       10.82736  68.23200       11.33512      0.3859074      0.9435906 
1 1 1 23  17 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  17 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  17 6  o 16.72222  0.6763844     313.6829       31.90108  269.3938       31.70953      1.326263       1.352769  
1 1 1 23  17 7  o 5.167834  0.6658137     28.92917       8.032166  27.90035       12.24646      0.2462606      1.331627  
1 1 1 23  17 8  o 11.86789  0.5405141     147.5659       17.88911  145.3822       18.20835      0.1008777      1.081028  
1 1 1 23  17 9  o 10.46378  0.4985999     101.1707       14.21204  127.0395       15.05243      -1.218524      0.9971998 
1 1 1 23  17 10 o 2.819209  0.7356197     8.967688       7.402587  5.654388       8.306495      0.2571787      1.471239  
1 1 1 23  17 11 o 2.977960  0.6895102     0.5998847      7.588926  16.77440       7.772314      -1.620639      1.379020  
1 1 1 23  17 12 o 7.479762  0.5019549     63.29336       10.43737  57.43184       10.52563      0.4013881      1.003910  
1 1 1 23  17 13 o 3.461164  0.7629901     17.19281       8.444295  13.05340       8.202689      0.4463769      1.525980  
1 1 1 23  17 14 o 2.431530  0.7132787     -5.590162      9.992919  11.18309       8.366414      -0.9436381     1.426557  
1 1 1 23  17 15 o 2.183314  0.6821342     -1.516081      8.529502  6.514728       8.481090      -0.4746394     1.364268  
1 1 1 23  17 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  17 17 o 4.447930  0.7772859     41.24152       10.30589  26.01938       9.541273      1.372266       1.554572  
1 1 1 23  17 18 o 1.823725  0.5954688     18.96608       10.29609  -20.34245      9.347766      1.325447       1.190938  
1 1 1 23  19 0  f 18.00460  0.9002585     363.7838       39.04144  331.8473       55.31118      1.469781       1.800517  
1 1 1 23  19 1  f 3.130509  0.7753273     15.61858       8.744635  -3.132640      11.00151      1.324665       1.550655  
1 1 1 23  19 2  o 8.487243  0.5383944     82.96421       12.60194  65.62837       12.86167      1.041647       1.076789  
1 1 1 23  19 3  o 5.427892  0.6691304     35.61958       9.594038  26.52952       10.25400      0.8861598      1.338261  
1 1 1 23  19 4  o 6.839546  0.5675812     64.76442       10.57298  33.92391       10.18473      2.300355       1.135162  
1 1 1 23  19 5  o 5.197707  0.6592642     30.22354       9.720502  28.43883       8.989528      0.1425136      1.318528  
1 1 1 23  19 6  o 8.199319  0.5252522     80.63437       12.00978  59.80000       11.91485      1.284950       1.050504  
1 1 1 23  19 7  o 9.688073  0.5559032     96.67088       13.80722  103.2922       16.83563      -0.2266407     1.111806  
1 1 1 23  19 8  o 6.926741  0.5453280     52.97493       9.900116  49.13023       11.20293      0.3450155      1.090656  
1 1 1 23  19 9  o 7.903211  0.5395876     66.29749       11.71455  68.38025       12.11777      -0.1119902     1.079175  
1 1 1 23  19 10 o 3.964137  0.7467000     10.02120       8.528094  27.95655       9.600317      -1.855232      1.493400  
1 1 1 23  19 11 o 6.151948  0.5850087     40.22080       9.868626  45.57004       9.936484      -0.4383879     1.170017  
1 1 1 23  19 12 o 6.091543  0.6068643     40.60758       10.13412  46.54951       10.15200      -0.4975329     1.213729  
1 1 1 23  19 13 o 1.940441  0.6467335     0.9404866      9.596518  -10.29621      9.350031      0.4743173      1.293467  
1 1 1 23  19 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  19 15 f 2.133810  0.6998446     -3.509494      10.46902  8.374262       10.34360      -0.4962021     1.399689  
1 1 1 23  19 16 o 1.789866  0.6164696     -13.13244      10.87060  3.983240       10.04612      -0.4378433     1.232939  
1 1 1 23  21 0  o 10.02572  0.5649452     113.9941       15.63914  98.21893       16.08569      0.8115365      1.129890  
1 1 1 23  21 1  f 20.65938  0.9634861     513.0527       55.83186  478.8398       56.07883      0.8473625      1.926972  
1 1 1 23  21 2  o 3.353532  0.8190588     20.13214       10.27703  -0.8623009     11.49908      1.590031       1.638118  
1 1 1 23  21 3  o 2.511924  0.7833080     3.721420       10.40212  -7.693507      12.07965      0.4092388      1.566616  
1 1 1 23  21 4  o 2.684907  0.7481847     14.41927       10.23552  -9.113738      9.857790      1.574293       1.496369  
1 1 1 23  21 5  f 3.193018  0.8380982     13.63603       10.41707  7.568995       9.983676      0.5329962      1.676196  
1 1 1 23  21 6  o 6.353542  0.6710292     56.14272       11.32519  33.55584       11.64792      1.862279       1.342058  
1 1 1 23  21 7  o 4.037183  0.8450672     23.06857       10.22256  17.19692       10.72053      0.6023137      1.690134  
1 1 1 23  21 8  o 3.435719  0.8529872     15.39963       9.668797  13.89395       11.05831      0.1375663      1.705974  
1 1 1 23  21 9  o 7.903122  0.6058435     72.79497       13.23653  71.30631       13.41524      0.1119729      1.211687  
1 1 1 23  21 10 o 3.656259  0.8031165     3.004553       11.74947  30.78947       10.75072      -2.255138      1.606233  
1 1 1 23  21 11 o 3.555279  0.7928516     28.80796       10.08805  6.386549       10.86899      1.955409       1.585703  
1 1 1 23  21 12 o 2.904314  0.8064941     3.670678       10.72502  22.09640       10.80524      -1.266457      1.612988  
1 1 1 23  21 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  21 14 o 4.798615  0.9395693     42.71507       13.41817  52.13549       13.30660      -0.8751752     1.879139  
1 1 1 23  23 0  o 7.446631  0.7154128     60.50996       14.62704  68.22805       14.67567      -0.5256429     1.430826  
1 1 1 23  23 1  o 2.521193  0.7844446     -13.46459      11.89830  10.89757       12.72486      -1.196683      1.568889  
1 1 1 23  23 2  o 4.423662  0.9173652     28.60541       12.17137  22.64313       12.47925      0.5676535      1.834730  
1 1 1 23  23 3  o 3.678210  0.9708340     10.27708       12.13244  28.25229       16.18269      -1.268155      1.941668  
1 1 1 23  23 4  o 4.222718  0.9194260     32.33066       12.91060  16.36121       12.15290      1.364672       1.838852  
1 1 1 23  23 5  o 8.391185  0.6495075     91.36696       15.62144  73.38304       14.60837      0.9903653      1.299015  
1 1 1 23  23 6  o 2.848726  0.8528874     10.04305       11.55855  5.429844       12.38913      0.2374228      1.705775  
1 1 1 23  23 7  o 2.401516  0.7723114     7.484928       11.92986  -7.342677      12.01900      0.6387173      1.544623  
1 1 1 23  23 8  o 6.564030  0.8638492     45.56656       16.16311  76.11858       15.11248      -2.528729      1.727698  
1 1 1 23  23 9  o 2.645087  0.7408466     -21.15565      10.87857  29.07397       12.97412      -2.436818      1.481693  
1 1 1 23  23 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  23 11 o 2.280373  0.7409569     -14.66116      12.01990  24.29897       14.65402      -1.397501      1.481914  
1 1 1 23  25 0  o 2.945327  0.9049236     14.19257       13.58360  6.415265       14.94896      0.3552964      1.809847  
1 1 1 23  25 1  o 2.707286  0.8359714     19.79700       13.69443  -14.29772      15.24043      1.322818       1.671943  
1 1 1 23  25 2  o 2.955878  0.8819489     21.75406       13.46946  -1.375662      14.62651      1.141053       1.763898  
1 1 1 23  25 3  o 2.627699  0.8221692     -13.54452      13.81179  21.85951       14.92012      -1.450078      1.644338  
1 1 1 23  25 4  o 2.510953  0.8353373     4.002553       14.66395  -1.923171      15.99616      0.1354298      1.670675  
1 1 1 23  25 5  o 2.601601  0.8296112     -7.035703      14.64726  17.77600       13.77669      -0.9513307     1.659222  
1 1 1 23  25 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  25 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 23  25 8  o 2.321549  0.7812410     -11.91260      14.66275  21.31830       16.17760      -0.9590620     1.562482  
1 1 1 23  27 0  o 2.935705  0.9356108     29.26642       16.06586  14.56864       18.25417      0.6308770      1.871222  
1 1 1 23  27 1  o 2.750591  0.9042935     29.80153       16.40945  -3.375704      24.14561      0.9079837      1.808587  
1 1 1 23  27 2  o 4.900723  1.112845      76.42284       18.84634  48.49906       17.98731      1.736882       2.225691  
1 1 1 24  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  6  o 3.969982  0.8153425     17.65912       5.720232  17.65912       5.720232      ?              ?         
1 1 1 24  0  7  o 32.75639  1.801875      1103.025       117.2236  1103.025       117.2236      ?              ?         
1 1 1 24  0  8  o 34.71810  1.904557      1244.150       131.3292  1244.150       131.3292      ?              ?         
1 1 1 24  0  9  o 7.832073  0.4905648     62.16795       7.614368  62.16795       7.614368      ?              ?         
1 1 1 24  0  10 o 18.76871  1.032408      358.6971       38.48399  358.6971       38.48399      ?              ?         
1 1 1 24  0  11 o 14.05866  0.7912936     200.7999       22.08661  200.7999       22.08661      ?              ?         
1 1 1 24  0  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  0  13 f 13.45574  0.7867088     184.7125       21.00437  184.7125       21.00437      ?              ?         
1 1 1 24  0  14 f 10.29602  0.9063113     110.2599       18.31525  110.2599       18.31525      ?              ?         
1 1 1 24  0  15 o 4.398254  0.6588879     20.82333       5.412697  20.82333       5.412697      ?              ?         
1 1 1 24  0  16 o 1.498967  0.9055649     2.390978       4.972484  2.390978       4.972484      ?              ?         
1 1 1 24  0  17 f 7.047701  0.5565906     51.49091       7.729537  51.49091       7.729537      ?              ?         
1 1 1 24  0  18 o 1.402235  0.8855881     1.373797       5.292609  1.373797       5.292609      ?              ?         
1 1 1 24  0  19 o 1.251746  0.8322217     -0.7107990     5.575293  -0.7107990     5.575293      ?              ?         
1 1 1 24  0  20 o 1.486121  0.9432033     2.294897       6.088727  2.294897       6.088727      ?              ?         
1 1 1 24  0  21 o 2.088895  1.114475      8.688773       6.332843  8.688773       6.332843      ?              ?         
1 1 1 24  2  0  o 1.434896  0.4406225     -1.851650      3.376346  0.5095757      3.372638      -0.2397818     0.8812450 
1 1 1 24  2  1  o 24.34319  0.9438198     605.2459       64.73281  608.9923       64.73874      -0.7713022E-01 1.887640  
1 1 1 24  2  2  o 11.50306  0.4472995     124.2569       14.44165  142.0970       14.51736      -0.7783328     0.8945989 
1 1 1 24  2  3  o 30.90148  1.195909      963.1394       104.0664  1014.908       104.1352      -0.8397272     2.391819  
1 1 1 24  2  4  o 13.25563  0.5116479     166.5088       19.06371  187.5993       19.11916      -0.7984832     1.023296  
1 1 1 24  2  5  o 34.69795  1.476803      1234.493       134.8604  1308.183       155.8436      -0.7983879     2.953606  
1 1 1 24  2  6  o 31.35396  1.799890      987.2973       157.9200  1128.479       158.0648      -2.269133      3.599780  
1 1 1 24  2  7  o 30.07429  1.735881      897.1389       145.9816  1046.624       146.1683      -2.505596      3.471761  
1 1 1 24  2  8  o 23.38856  1.321042      507.5106       86.18333  639.1897       86.42845      -2.840500      2.642083  
1 1 1 24  2  9  o 20.10811  1.125080      360.1366       62.91309  481.7899       63.17428      -3.053990      2.250159  
1 1 1 24  2  10 o 10.66267  0.6371698     90.83284       18.68063  141.6410       18.75626      -2.413789      1.274340  
1 1 1 24  2  11 f 2.870783  0.6276579     6.606203       5.833735  9.803917       5.543444      -0.4080638     1.255316  
1 1 1 24  2  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  2  13 o 1.514779  0.5013979     -1.185721      7.069577  -17.27076      5.995218      0.8940298      1.002796  
1 1 1 24  2  14 o 8.322709  0.5861615     59.90428       13.77658  82.91132       13.19693      -1.422951      1.172323  
1 1 1 24  2  15 o 7.726650  0.5017568     62.93096       12.45672  61.46967       9.727568      0.1690449E-01  1.003514  
1 1 1 24  2  16 o 7.137167  0.3934702     49.96821       7.930594  55.02073       7.818042      -0.3600768     0.7869405 
1 1 1 24  2  17 o 8.637414  0.4197133     73.78968       10.15403  82.29881       10.20857      -0.4933261     0.8394267 
1 1 1 24  2  18 o 2.768684  0.5783679     14.11559       5.545791  2.627458       5.316724      1.476793       1.156736  
1 1 1 24  2  19 o 2.836608  0.5789264     1.313323       5.769655  16.91168       5.928656      -1.849585      1.157853  
1 1 1 24  2  20 o 2.318910  0.7014078     12.98849       10.81631  1.797855       6.714311      0.9000406      1.402816  
1 1 1 24  2  21 f 1.654797  0.5457764     1.100480       6.316981  -3.696189      6.369031      0.2487748      1.091553  
1 1 1 24  4  0  o 22.71246  0.8519379     494.0786       54.41913  556.7433       54.53858      -1.384022      1.703876  
1 1 1 24  4  1  o 28.56705  1.101088      825.2378       88.59387  857.4341       88.64359      -0.5648305     2.202176  
1 1 1 24  4  2  o 17.92179  0.6949417     317.3802       35.07421  333.8083       35.09398      -0.4597243     1.389883  
1 1 1 24  4  3  o 17.68510  0.6780303     308.5261       33.74714  325.0965       33.81439      -0.4695549     1.356061  
1 1 1 24  4  4  o 7.156999  0.3307640     44.18854       6.558700  58.92486       6.684209      -1.035968      0.6615281 
1 1 1 24  4  5  o 24.07270  0.9227548     578.1288       62.57141  605.9423       62.59026      -0.5794231     1.845510  
1 1 1 24  4  6  o 15.85628  0.5794498     242.2198       25.84980  265.3962       25.91685      -0.7329249     1.158900  
1 1 1 24  4  7  o 14.52228  0.5631372     212.0073       23.04234  214.3684       23.04195      -0.8154690E-01 1.126274  
1 1 1 24  4  8  o 8.188298  0.3581227     65.26528       8.218848  69.75452       8.282100      -0.2748406     0.7162454 
1 1 1 24  4  9  o 15.12048  0.5870867     223.8437       24.98802  239.5367       25.01624      -0.5205417     1.174173  
1 1 1 24  4  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  4  11 o 11.26305  0.4618291     121.3227       14.58225  135.4167       14.69054      -0.6273248     0.9236583 
1 1 1 24  4  12 o 13.77331  0.5594978     185.6764       21.64514  201.3430       21.74086      -0.5697269     1.118996  
1 1 1 24  4  13 o 4.864439  0.4548292     22.73475       5.693074  26.38374       6.583632      -0.3580086     0.9096583 
1 1 1 24  4  14 o 2.782408  0.5704173     3.909060       5.055758  11.62286       5.053881      -1.071757      1.140835  
1 1 1 24  4  15 o 5.844925  0.4309818     31.28870       6.480689  39.88533       7.597825      -0.7096168     0.8619635 
1 1 1 24  4  16 o 2.140642  0.6474216     -4.233613      7.844312  3.701704       6.701382      -0.4073879     1.294843  
1 1 1 24  4  17 o 3.538823  0.7221135     14.63563       8.447876  14.72728       7.033607      -0.4558026E-01 1.444227  
1 1 1 24  4  18 o 2.108481  0.6506137     2.782901       8.406702  -0.9903520E-01 6.475374      0.4077584      1.301227  
1 1 1 24  4  19 o 2.251247  0.6181487     -15.84587      8.783554  13.25291       7.299802      -1.621711      1.236297  
1 1 1 24  4  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  4  21 o 2.553080  0.7631640     11.20887       10.26548  12.99113       8.945293      -0.1628429     1.526328  
1 1 1 24  6  0  o 25.84055  0.9796842     665.8586       71.29089  701.6593       71.35696      -0.6943846     1.959368  
1 1 1 24  6  1  o 21.38826  0.8871768     441.4992       49.82740  496.8736       57.62738      -1.230530      1.774354  
1 1 1 24  6  2  o 14.44454  0.5612784     195.8999       22.74638  225.0385       22.88063      -1.012176      1.122557  
1 1 1 24  6  3  f 24.44167  0.9305083     604.3123       64.05933  616.9788       64.11560      -0.2594166     1.861017  
1 1 1 24  6  4  o 26.30221  1.013868      683.9490       75.06713  734.7177       75.14949      -0.9678015     2.027735  
1 1 1 24  6  5  o 9.177790  0.3963795     76.38974       10.29117  92.88966       10.13557      -0.9056739     0.7927589 
1 1 1 24  6  6  o 1.702935  0.5037694     0.1451385      4.325611  0.7703916      3.834888      0.2994363E-01  1.007539  
1 1 1 24  6  7  o 5.100679  0.3393537     25.20136       4.711620  27.49526       4.967627      -0.2236275     0.6787073 
1 1 1 24  6  8  o 30.68291  1.188575      978.0099       102.7531  992.2225       102.7537      -0.2323114     2.377151  
1 1 1 24  6  9  o 8.458569  0.3779459     70.94567       8.961904  73.43452       9.028162      -0.1471643     0.7558917 
1 1 1 24  6  10 o 4.231429  0.4108988     17.28058       4.817482  19.32326       4.746851      -0.2484717     0.8217976 
1 1 1 24  6  11 o 3.544870  0.8743413     12.22944       10.33090  11.42226       11.27332      0.1543606E-01  1.748683  
1 1 1 24  6  12 o 2.664391  0.5716414     7.644227       4.664787  6.936893       4.709899      0.1030612      1.143283  
1 1 1 24  6  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  6  14 o 5.762177  0.4104454     30.92502       6.577330  37.07357       6.581396      -0.5410771     0.8208908 
1 1 1 24  6  15 f 6.494365  0.4018408     37.27610       7.209589  49.50986       7.315741      -0.9505730     0.8036816 
1 1 1 24  6  16 o 7.962306  0.4137106     63.75873       9.244341  68.21589       9.251472      -0.2813600     0.8274212 
1 1 1 24  6  17 o 3.106588  0.5997334     7.671597       5.638553  13.96677       5.540537      -0.8629634     1.199467  
1 1 1 24  6  18 o 2.628742  0.6289225     11.03463       5.937736  5.053341       5.541005      0.7441595      1.257845  
1 1 1 24  6  19 f 1.630572  0.5353640     -4.978885      6.079865  -0.7121126     5.902271      -0.2144253     1.070728  
1 1 1 24  6  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  6  21 o 3.149401  0.6670858     8.202283       7.238689  25.11778       7.450402      -1.788171      1.334172  
1 1 1 24  8  0  o 12.12366  0.4802969     142.7230       16.37283  153.4865       16.42096      -0.4452613     0.9605938 
1 1 1 24  8  1  o 41.56173  1.649165      1766.824       192.9045  1907.551       193.0746      -1.697185      3.298330  
1 1 1 24  8  2  o 17.82469  0.6607700     326.6407       33.19604  316.7561       33.19179      0.2780509      1.321540  
1 1 1 24  8  3  o 35.38639  1.366592      1285.620       136.1949  1334.807       136.2869      -0.6961120     2.733185  
1 1 1 24  8  4  o 19.04767  0.7484710     370.6812       40.17565  367.0488       40.15400      0.9547996E-01  1.496942  
1 1 1 24  8  5  o 19.13279  0.7430670     363.7169       40.04293  380.7532       40.05602      -0.4465868     1.486134  
1 1 1 24  8  6  o 11.38188  0.4527521     128.3766       14.53030  132.9594       14.49956      -0.2022229     0.9055041 
1 1 1 24  8  7  o 16.26589  0.6167513     264.8238       28.25888  272.0935       28.27918      -0.2239659     1.233503  
1 1 1 24  8  8  o 13.73203  0.5439501     188.7281       21.01529  193.5456       21.06734      -0.1755181     1.087900  
1 1 1 24  8  9  o 12.52178  0.5088697     155.8306       17.90004  162.0945       17.98837      -0.2501343     1.017739  
1 1 1 24  8  10 o 14.18917  0.5603203     197.9228       22.36210  211.9270       22.41635      -0.4946521     1.120641  
1 1 1 24  8  11 o 7.123205  0.3811861     51.40486       7.551159  51.53257       7.696740      -0.7042950E-02 0.7623723 
1 1 1 24  8  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  8  13 o 2.478894  0.5897452     1.343585       5.330538  9.474366       5.277754      -0.9950348     1.179490  
1 1 1 24  8  14 o 8.703160  0.4290789     79.74066       10.47564  76.13828       10.51225      0.2089649      0.8581579 
1 1 1 24  8  15 o 3.874368  0.5599157     16.49045       5.951155  16.26484       5.905683      0.2699440E-01  1.119831  
1 1 1 24  8  16 o 3.249953  0.6079624     9.362865       5.750592  14.26801       5.761412      -0.6697348     1.215925  
1 1 1 24  8  17 o 1.755056  0.5499078     -4.966055      5.794160  2.328099       5.589731      -0.4822474     1.099816  
1 1 1 24  8  18 o 1.760680  0.5602950     0.5698475      6.184758  -2.058287      5.603819      0.2552393      1.120590  
1 1 1 24  8  19 o 1.748706  0.5696166     -1.883314      6.719579  -1.015283      6.328917      -0.4571746E-02 1.139233  
1 1 1 24  8  20 o 2.636156  0.6954489     11.89918       7.070459  10.18370       6.862357      0.1634910      1.390898  
1 1 1 24  10 0  f 13.26759  0.5266252     181.5983       19.67451  173.9024       19.68476      0.2910950      1.053250  
1 1 1 24  10 1  o 18.55428  0.7243980     342.6623       37.83966  356.9193       37.88548      -0.3850958     1.448796  
1 1 1 24  10 2  f 12.67427  0.5123709     164.2609       18.24497  160.1871       18.33520      0.1618975      1.024742  
1 1 1 24  10 3  o 2.239259  0.5641589     4.467326       4.301934  4.169262       4.729342      -0.9626859E-02 1.128318  
1 1 1 24  10 4  o 9.309439  0.4207193     80.42709       11.01611  94.10583       10.98644      -0.7394004     0.8414387 
1 1 1 24  10 5  o 16.61258  0.6283886     264.9488       29.37247  294.6345       29.41798      -0.8965502     1.256777  
1 1 1 24  10 6  o 10.87899  0.4448573     123.2212       13.71639  115.7994       13.53605      0.3409043      0.8897147 
1 1 1 24  10 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  10 8  o 15.62566  0.6196749     251.3859       27.25109  246.5268       27.30171      0.1565658      1.239350  
1 1 1 24  10 9  f 9.414109  0.4721804     76.33189       13.14694  102.5313       11.64328      -1.426815      0.9443609 
1 1 1 24  10 10 o 8.994757  0.4106868     77.65617       10.26641  86.37774       10.50280      -0.4842561     0.8213735 
1 1 1 24  10 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  10 12 o 4.826785  0.4852774     21.03543       6.468360  26.98406       6.350342      -0.6377263     0.9705547 
1 1 1 24  10 13 o 2.080874  0.6023507     2.427287       5.708269  1.424408       5.585790      0.1129398      1.204701  
1 1 1 24  10 14 o 3.825767  0.5644274     7.784031       6.114858  23.83322       6.254423      -1.996455      1.128855  
1 1 1 24  10 15 o 2.244418  0.6208516     0.9645442      5.879237  6.346076       5.927744      -0.5446980     1.241703  
1 1 1 24  10 16 o 4.861790  0.5055542     22.55946       6.686252  28.94652       6.735480      -0.6720911     1.011108  
1 1 1 24  10 17 o 3.426993  0.6073288     7.076143       6.511313  20.50953       6.310594      -1.675484      1.214658  
1 1 1 24  10 18 o 4.649954  0.5642177     27.03837       7.381135  25.47864       6.943163      0.1103992      1.128435  
1 1 1 24  10 19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  10 20 o 1.696054  0.5685112     1.984043       7.560151  -4.428746      7.216880      0.3092666      1.137022  
1 1 1 24  12 0  o 7.076476  0.3994966     48.24584       7.709816  53.12641       8.153251      -0.3425401     0.7989932 
1 1 1 24  12 1  f 8.064022  0.4069391     61.14379       8.969051  70.29752       9.459835      -0.5663363     0.8138781 
1 1 1 24  12 2  o 19.34330  0.7536801     384.9565       41.06947  379.3576       41.07927      0.1452746      1.507360  
1 1 1 24  12 3  o 17.96130  0.7441810     318.8943       35.11019  343.2503       40.72971      -0.6192898     1.488362  
1 1 1 24  12 4  o 10.15268  0.4524551     103.8166       12.98695  104.6598       12.86697      -0.4276696E-01 0.9049102 
1 1 1 24  12 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  12 6  o 4.933708  0.4317945     29.84872       5.949734  19.71667       5.692586      1.047507       0.8635890 
1 1 1 24  12 7  o 8.929354  0.4111611     77.23505       10.40556  83.93979       10.24053      -0.3792479     0.8223222 
1 1 1 24  12 8  o 7.013050  0.4188944     43.04275       8.036343  56.82046       8.343079      -0.9884740     0.8377888 
1 1 1 24  12 9  o 15.28236  0.6251620     227.6071       26.76947  252.4349       27.00177      -0.8119702     1.250324  
1 1 1 24  12 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  12 11 o 3.153901  0.6597323     10.04933       6.281459  11.08906       6.322038      -0.1354768     1.319465  
1 1 1 24  12 12 o 9.430872  0.4562459     90.75272       12.07993  92.72897       12.11261      -0.1044763     0.9124917 
1 1 1 24  12 13 o 3.030439  0.6683050     9.224578       6.382555  10.66170       6.335452      -0.1800666     1.336610  
1 1 1 24  12 14 o 2.056801  0.6050848     -4.222003      6.388070  5.679898       6.304163      -0.7780425     1.210170  
1 1 1 24  12 15 o 5.743666  0.4892560     40.70782       7.657567  30.20418       7.787014      0.9456108      0.9785120 
1 1 1 24  12 16 o 3.499483  0.6613114     10.80918       7.007539  18.67857       6.785937      -0.9835486     1.322623  
1 1 1 24  12 17 o 5.461220  0.5317821     36.13200       8.077873  33.90321       7.909712      0.1877648      1.063564  
1 1 1 24  12 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  12 19 o 1.974376  0.6319801     3.102925       7.803855  3.062347       7.363653      0.2427832E-01  1.263960  
1 1 1 24  12 20 f 1.736928  0.5878295     2.360920       8.548704  -1.172497      7.869226      0.1693003      1.175659  
1 1 1 24  14 0  o 6.869625  0.4824739     53.08059       8.645987  41.78024       9.852122      0.8578073      0.9649478 
1 1 1 24  14 1  o 9.070807  0.4526688     91.19029       11.22501  74.73814       11.80008      0.9213688      0.9053376 
1 1 1 24  14 2  o 1.984575  0.5972766     -0.7758257     5.940386  0.8661516      5.841287      -0.1203937     1.194553  
1 1 1 24  14 3  o 11.96436  0.5489385     137.4510       17.16817  155.3456       20.01635      -0.7168249     1.097877  
1 1 1 24  14 4  o 6.511419  0.4435627     42.55221       8.004500  43.81592       8.131895      -0.9605429E-01 0.8871254 
1 1 1 24  14 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  14 6  o 12.85712  0.5317338     176.8929       19.31004  159.8573       19.16483      0.6634657      1.063468  
1 1 1 24  14 7  o 2.149879  0.6347495     -2.925634      6.820848  3.966835       6.546283      -0.5125107     1.269499  
1 1 1 24  14 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  14 9  o 3.250312  0.6945611     10.40806       6.601704  12.02354       7.280419      -0.2163176     1.389122  
1 1 1 24  14 10 o 2.852463  0.6433541     13.46519       6.386022  0.9130182      6.847320      1.352260       1.286708  
1 1 1 24  14 11 o 2.691521  0.6864996     5.148970       6.586291  8.458855       6.899693      -0.3832133     1.372999  
1 1 1 24  14 12 f 3.590904  0.6854558     12.30787       7.299989  16.37315       7.077655      -0.5017880     1.370912  
1 1 1 24  14 13 o 3.187305  0.6766686     5.761963       7.299393  16.01733       6.853481      -1.173269      1.353337  
1 1 1 24  14 14 o 6.809917  0.4821818     48.61469       9.141655  51.69420       9.175451      -0.2265565     0.9643636 
1 1 1 24  14 15 o 5.876188  0.5311298     36.84666       8.510224  41.18712       8.719687      -0.3571782     1.062260  
1 1 1 24  14 16 o 3.717010  0.7229745     18.33792       7.914861  18.94956       7.768998      -0.8795989E-01 1.445949  
1 1 1 24  14 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  14 18 o 1.933329  0.6310222     1.865167       8.394272  1.209695       7.730689      0.7267868E-01  1.262044  
1 1 1 24  14 19 o 1.826909  0.6136357     1.335754       8.909344  1.843836       8.310864      0.3704576E-02  1.227271  
1 1 1 24  16 0  o 11.57580  0.5251477     135.9395       16.72783  137.4558       17.50490      -0.5522567E-01 1.050295  
1 1 1 24  16 1  o 14.75491  0.6188438     226.6949       25.36157  219.6284       26.06816      0.2508943      1.237688  
1 1 1 24  16 2  o 13.04378  0.5525261     183.3686       20.26389  163.8007       20.28009      0.7539688      1.105052  
1 1 1 24  16 3  o 7.882852  0.5193428     51.56346       10.48514  76.76095       12.31858      -1.582775      1.038686  
1 1 1 24  16 4  o 18.25528  0.7519339     356.6105       38.68533  337.0769       38.60598      0.5355091      1.503868  
1 1 1 24  16 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  16 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  16 7  o 24.58245  0.9930355     698.9626       68.73712  624.9900       68.63733      1.507937       1.986071  
1 1 1 24  16 8  o 20.72676  0.8561659     461.6952       49.93451  471.5916       50.00727      -0.2369664     1.712332  
1 1 1 24  16 9  o 5.927103  0.5389748     37.77778       8.373231  36.11647       9.354371      0.1807149      1.077950  
1 1 1 24  16 10 o 6.720062  0.5142919     52.20928       9.218063  42.06843       9.970748      0.8007095      1.028584  
1 1 1 24  16 11 o 6.820908  0.5052814     45.09308       9.386497  53.74490       9.775142      -0.6249753     1.010563  
1 1 1 24  16 12 o 1.986295  0.6270624     -4.707676      7.214536  1.542313       7.455386      -0.4189001     1.254125  
1 1 1 24  16 13 o 7.871994  0.5105821     55.88678       11.16068  79.56660       11.04467      -1.535877      1.021164  
1 1 1 24  16 14 o 1.820864  0.6073253     -3.391023      8.321602  -7.550900      8.034352      0.2157343      1.214651  
1 1 1 24  16 15 o 2.719563  0.7525994     10.33548       8.500632  8.958104       8.324170      0.1199646      1.505199  
1 1 1 24  16 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  16 17 o 3.398766  0.7518997     11.08754       9.691293  29.04619       8.912877      -1.765040      1.503799  
1 1 1 24  16 18 o 1.590137  0.5503942     5.800103       9.556973  -19.55388      9.133562      0.7025365      1.100788  
1 1 1 24  18 0  f 8.524826  0.5623919     90.49804       12.54913  59.02300       13.71490      1.908876       1.124784  
1 1 1 24  18 1  o 7.784841  0.5691951     67.62750       11.40701  56.43296       13.43927      0.7866917      1.138390  
1 1 1 24  18 2  o 10.09973  0.5215145     121.2615       14.92095  88.82183       14.47251      1.610812       1.043029  
1 1 1 24  18 3  o 2.227112  0.6923712     3.828113       8.319087  -14.16268      10.35161      0.6761929      1.384742  
1 1 1 24  18 4  o 4.889736  0.7068877     25.93911       9.579329  25.99091       9.319810      -0.1463630E-01 1.413775  
1 1 1 24  18 5  o 9.155046  0.5034439     83.71095       13.02563  89.61220       12.83248      -0.3294880     1.006888  
1 1 1 24  18 6  o 4.586786  0.7011622     29.33083       9.327097  16.72982       8.474374      1.321173       1.402324  
1 1 1 24  18 7  o 19.93853  0.8624470     458.6904       48.39001  429.3959       48.37584      0.7371830      1.724894  
1 1 1 24  18 8  o 3.572825  0.7599471     20.49116       8.721327  6.500411       9.284612      1.405748       1.519894  
1 1 1 24  18 9  o 2.735266  0.7372788     -1.891434      8.389614  13.72217       9.274318      -1.329439      1.474558  
1 1 1 24  18 10 o 5.830838  0.6173972     41.00165       9.358980  33.77004       10.42682      0.7162661      1.234794  
1 1 1 24  18 11 o 3.590260  0.7707286     13.28737       8.492195  18.48339       8.685300      -0.5610391     1.541457  
1 1 1 24  18 12 f 2.318817  0.7090659     3.162002       8.479184  1.958336       8.593168      0.6917798E-01  1.418132  
1 1 1 24  18 13 o 4.646146  0.7427592     23.77125       9.691594  32.58603       9.559017      -0.9380950     1.485518  
1 1 1 24  18 14 o 3.543586  0.8263821     17.32275       9.823911  22.05300       9.600572      -0.4849545     1.652764  
1 1 1 24  18 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  18 16 o 2.503511  0.7599745     18.07920       10.22097  6.343337       9.929918      0.6983855      1.519949  
1 1 1 24  20 0  o 10.11578  0.5662889     115.6181       16.04109  99.40742       16.03942      0.8082519      1.132578  
1 1 1 24  20 1  o 10.39006  0.5955731     116.5022       16.81735  111.8553       17.93207      0.2656011      1.191146  
1 1 1 24  20 2  o 4.769526  0.8271348     19.71236       10.99327  31.89779       11.45320      -1.173661      1.654270  
1 1 1 24  20 3  o 3.475508  0.8521414     17.68839       10.48977  7.258015       10.73667      0.9061194      1.704283  
1 1 1 24  20 4  o 3.336611  0.8169318     21.08938       10.98705  0.7239302      10.14836      1.724136       1.633864  
1 1 1 24  20 5  o 9.908114  0.5519769     123.8428       15.68171  85.62132       14.73790      1.908026       1.103954  
1 1 1 24  20 6  o 7.337448  0.5914223     51.21820       11.95654  65.10391       12.02026      -0.9616873     1.182845  
1 1 1 24  20 7  f 3.013062  0.8426849     5.387244       9.704509  12.40219       11.96245      -0.6477672     1.685370  
1 1 1 24  20 8  o 3.409066  0.8203205     17.42093       9.170941  9.021280       10.68865      0.7503779      1.640641  
1 1 1 24  20 9  o 7.295163  0.6368119     44.67282       11.96174  77.91479       13.13550      -2.234532      1.273624  
1 1 1 24  20 10 o 2.917115  0.8283144     3.927896       11.18078  14.27429       10.53366      -0.6938464     1.656629  
1 1 1 24  20 11 o 3.837143  0.8632125     20.05372       10.12599  23.46672       10.99571      -0.2574753     1.726425  
1 1 1 24  20 12 o 3.048616  0.7697983     24.46018       10.04311  0.5328466      10.20566      1.811283       1.539597  
1 1 1 24  20 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  20 14 o 2.279840  0.7456829     7.799235       11.51732  4.397914       11.17592      0.1495641      1.491366  
1 1 1 24  22 0  o 9.568498  0.6209364     108.0979       16.28426  93.21511       16.89159      0.8251750      1.241873  
1 1 1 24  22 1  o 3.691896  0.9470153     4.388398       11.93036  30.84214       16.12938      -1.947387      1.894031  
1 1 1 24  22 2  f 3.309366  0.9003814     13.20529       11.91588  10.47769       11.88336      0.2043998      1.800763  
1 1 1 24  22 3  o 3.342579  0.9127741     12.65204       11.90195  12.14150       12.60378      0.1569590E-01  1.825548  
1 1 1 24  22 4  o 6.691250  0.7444963     39.39387       13.90044  64.49981       13.02876      -2.019018      1.488993  
1 1 1 24  22 5  o 4.934989  0.8683884     37.14657       12.89847  26.14960       11.36878      0.9015021      1.736777  
1 1 1 24  22 6  o 6.063565  0.7638715     39.61143       12.29363  50.62802       12.88160      -0.8637421     1.527743  
1 1 1 24  22 7  o 3.813031  0.9242535     26.73264       11.77403  12.96716       14.41937      1.133419       1.848507  
1 1 1 24  22 8  o 2.576078  0.8043168     5.275758       10.76446  3.281028       12.35764      0.1612188E-01  1.608634  
1 1 1 24  22 9  o 2.286955  0.7483603     -4.915766      10.63497  5.819288       12.73559      -0.5808143     1.496721  
1 1 1 24  22 10 o 1.872025  0.6439606     1.238938       11.53980  -28.64830      12.41856      0.6847907      1.287921  
1 1 1 24  22 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  22 12 o 2.701313  0.8329797     9.296131       11.97002  21.28110       12.57494      -0.6098922     1.665959  
1 1 1 24  24 0  o 3.426604  0.8626570     32.54932       13.25374  -8.627855      14.69628      2.372555       1.725314  
1 1 1 24  24 1  o 4.034643  0.9941667     9.834429       13.82543  45.54456       17.37506      -2.269510      1.988333  
1 1 1 24  24 2  o 4.531340  1.041744      37.25204       16.04107  30.57480       14.63249      0.3897910      2.083487  
1 1 1 24  24 3  o 2.936838  0.8917841     20.24599       13.98751  -6.120659      16.03168      1.125550       1.783568  
1 1 1 24  24 4  o 2.719976  0.8666865     10.29107       14.78685  1.856737       13.54995      0.4109614      1.733373  
1 1 1 24  24 5  o 4.287034  1.006043      35.50031       15.02143  29.14976       13.53439      0.3414025      2.012086  
1 1 1 24  24 6  o 5.095774  1.047157      47.76654       16.66160  46.22598       15.42098      -0.1033846     2.094314  
1 1 1 24  24 7  f 2.750033  0.8803685     0.5063086      16.27133  18.98013       14.73903      -0.6927474     1.760737  
1 1 1 24  24 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  24 9  o 1.943935  0.6884043     -17.21535      13.02305  -5.346776      18.97742      -0.4704458     1.376809  
1 1 1 24  26 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  26 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  26 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  26 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  26 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 24  26 5  o 2.690882  0.8907568     13.78227       17.53025  20.16138       16.59475      -0.2168142     1.781514  
1 1 1 25  1  0  o 15.76822  0.8825632     300.0002       38.71550  208.7362       38.54499      2.925215       1.765126  
1 1 1 25  1  1  o 22.34788  1.411547      512.8226       62.76768  ?              ?             ?              ?         
1 1 1 25  1  2  o 23.32656  1.313495      547.3795       85.86964  588.9988       85.92923      -0.8978825     2.626990  
1 1 1 25  1  3  o 23.09557  1.261595      470.0327       81.00228  638.4409       81.33072      -3.680231      2.523189  
1 1 1 25  1  4  o 22.82788  1.284423      478.0312       81.81834  605.1743       81.97604      -2.811552      2.568845  
1 1 1 25  1  5  o 31.24662  1.823198      1000.953       159.5008  1106.119       159.5788      -1.695762      3.646395  
1 1 1 25  1  6  f 34.73533  2.071344      1266.656       201.3365  1400.301       201.4515      -1.938591      4.142688  
1 1 1 25  1  7  o 29.55600  1.724508      894.4893       142.6710  992.3005       142.7881      -1.666724      3.449016  
1 1 1 25  1  8  o 24.41715  1.390266      566.5773       94.76611  694.7646       95.01109      -2.647367      2.780531  
1 1 1 25  1  9  o 15.20060  0.8627863     209.0417       36.59233  265.7722       36.65515      -1.884789      1.725573  
1 1 1 25  1  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  1  11 o 16.71414  0.7073808     267.5800       35.81592  302.3708       31.10358      -1.114515      1.414762  
1 1 1 25  1  12 f 12.48194  0.5004072     158.0335       17.58112  159.1197       17.60697      -0.4332575E-01 1.000814  
1 1 1 25  1  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  1  14 f 6.359493  0.3884229     43.64566       6.919392  38.89157       6.900703      0.3768703      0.7768458 
1 1 1 25  1  15 o 7.397981  0.3917820     53.72394       8.105825  58.58070       8.160006      -0.3290651     0.7835640 
1 1 1 25  1  16 o 7.145357  0.3961895     49.72549       7.912562  55.93887       7.954647      -0.4367758     0.7923790 
1 1 1 25  1  17 o 4.052731  0.5139968     18.40378       5.694253  17.67992       5.655487      0.8842999E-01  1.027994  
1 1 1 25  1  18 o 2.944882  0.6065823     12.95729       5.550433  7.312080       5.449488      0.7685905      1.213165  
1 1 1 25  1  19 o 3.149553  0.6375362     11.55864       5.992857  13.74004       5.983602      -0.2921306     1.275072  
1 1 1 25  1  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  1  21 o 3.041953  0.6197487     23.57181       6.863003  4.618786       6.757970      2.045297       1.239497  
1 1 1 25  3  0  o 23.90787  0.9215788     582.5848       62.07682  586.0100       62.08868      -0.7174859E-01 1.843158  
1 1 1 25  3  1  o 19.35902  0.7413105     370.3242       40.41306  390.3924       40.44590      -0.5197886     1.482621  
1 1 1 25  3  2  o 17.75418  0.6878555     309.6710       34.38886  328.9691       34.40892      -0.5452282     1.375711  
1 1 1 25  3  3  o 16.98970  0.6451876     283.5753       30.84882  300.4646       30.91383      -0.4982456     1.290375  
1 1 1 25  3  4  o 37.12008  1.472264      1422.427       153.8973  1475.165       153.9722      -0.7118353     2.944527  
1 1 1 25  3  5  o 50.41300  2.088214      2714.902       296.2356  2887.291       296.4443      -1.712953      4.176428  
1 1 1 25  3  6  o 8.592868  0.3746228     72.52921       9.133401  76.09357       8.985972      -0.2093255     0.7492456 
1 1 1 25  3  7  o 18.80467  0.7137241     336.7194       37.72902  381.1561       37.83499      -1.185504      1.427448  
1 1 1 25  3  8  o 20.12197  0.7710872     415.9038       43.73166  410.6293       43.70946      0.1312439      1.542174  
1 1 1 25  3  9  o 7.564198  0.3564972     60.59392       7.553071  54.65577       7.602029      0.3952306      0.7129944 
1 1 1 25  3  10 o 2.122902  0.5709427     1.202382       4.549073  5.293106       5.199323      -0.5711992     1.141885  
1 1 1 25  3  11 o 33.36245  2.221430      1257.950       206.1438  1507.188       206.5773      -3.768163      4.442861  
1 1 1 25  3  12 o 4.091335  0.6135852     11.81323       7.314736  22.51846       6.825341      -1.284666      1.227170  
1 1 1 25  3  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  3  14 o 4.047431  0.6798496     15.41643       8.490897  19.41110       7.205956      -0.4891663     1.359699  
1 1 1 25  3  15 o 1.883658  0.6050634     0.3657002      7.972500  -7.879401      6.808641      0.6427704      1.210127  
1 1 1 25  3  16 o 8.074758  0.5947208     72.35376       13.77312  68.90903       13.02149      0.1778240      1.189442  
1 1 1 25  3  17 o 2.263445  0.6737623     3.167287       8.138143  1.991805       6.666991      0.2475577      1.347525  
1 1 1 25  3  18 o 2.410351  0.6950526     8.617949       8.584118  2.272326       6.794867      0.6483420      1.390105  
1 1 1 25  3  19 o 2.951450  0.7389318     6.639734       9.193579  15.55048       7.547804      -0.8458087     1.477864  
1 1 1 25  3  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  5  0  o 17.56547  0.6635067     297.3714       32.77829  326.9217       32.86850      -0.8436478     1.327013  
1 1 1 25  5  1  o 5.944397  0.3337480     33.92587       5.531508  37.29525       5.590697      -0.2849341     0.6674959 
1 1 1 25  5  2  o 18.84374  0.7329419     340.9652       38.86021  379.0148       38.90476      -1.013395      1.465884  
1 1 1 25  5  3  o 15.90174  0.6119164     246.7287       27.36637  264.4321       27.44885      -0.5580463     1.223833  
1 1 1 25  5  4  o 18.95476  0.7359622     357.2545       39.27847  372.1902       39.31940      -0.3949640     1.471924  
1 1 1 25  5  5  o 10.68731  0.4282597     113.7410       12.97018  116.3834       12.81498      -0.1250374     0.8565194 
1 1 1 25  5  6  o 3.747712  0.4454903     12.55731       4.824420  15.89880       4.334316      -0.4706123     0.8909807 
1 1 1 25  5  7  o 10.37670  0.4207239     102.4545       12.23202  114.4705       12.33915      -0.5807101     0.8414477 
1 1 1 25  5  8  o 18.75277  0.7218490     361.3051       38.16302  356.0256       38.12149      0.1407861      1.443698  
1 1 1 25  5  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  5  10 o 2.149533  0.5147604     -2.689010      4.501006  8.517165       4.534291      -1.344798      1.029521  
1 1 1 25  5  11 o 17.83878  2.284045      ?              ?         366.5704       79.62204      ?              ?         
1 1 1 25  5  12 o 5.813930  0.3815474     33.43661       6.110592  35.41546       6.294705      -0.1685184     0.7630947 
1 1 1 25  5  13 o 9.165910  0.4226132     83.11584       10.87416  88.14352       10.91196      -0.2749287     0.8452263 
1 1 1 25  5  14 o 13.50384  0.5699177     189.8942       21.67422  190.1512       21.66323      -0.9842125E-02 1.139835  
1 1 1 25  5  15 o 5.703822  0.4196403     35.06988       6.698056  32.49299       6.636013      0.2265484      0.8392807 
1 1 1 25  5  16 o 2.673044  0.6121283     9.977141       5.442193  5.125863       5.403556      0.6376974      1.224257  
1 1 1 25  5  17 o 3.843586  0.5527670     17.82452       5.858674  15.45687       5.747539      0.3011456      1.105534  
1 1 1 25  5  18 f 1.937850  0.5630682     7.167407       5.908775  -4.575382      5.550085      1.010431       1.126136  
1 1 1 25  5  19 o 3.220100  0.6131353     19.88835       6.348735  6.612144       6.197752      1.635424       1.226271  
1 1 1 25  5  20 o 2.257829  1.063066      3.182262       12.37691  ?              ?             ?              ?         
1 1 1 25  7  0  o 24.36990  0.9323779     591.4340       63.98344  622.8044       64.04187      -0.6452442     1.864756  
1 1 1 25  7  1  o 21.86678  0.8478647     450.7721       52.09617  522.7017       52.22446      -1.651124      1.695729  
1 1 1 25  7  2  o 22.53949  0.8743194     488.0638       55.41110  547.7527       55.53449      -1.328567      1.748639  
1 1 1 25  7  3  o 21.69796  0.8213317     452.2556       50.10632  506.0757       50.24828      -1.243934      1.642663  
1 1 1 25  7  4  o 10.86148  0.4491913     112.8073       13.74232  124.8096       13.71564      -0.5551918     0.8983827 
1 1 1 25  7  5  o 8.506152  0.3823459     66.11185       9.154513  79.40217       9.105973      -0.7866198     0.7646918 
1 1 1 25  7  6  o 27.18957  1.035969      771.7823       79.39388  756.9790       79.35114      0.2725402      2.071938  
1 1 1 25  7  7  o 27.88199  1.078843      791.6849       84.72324  826.0097       84.75842      -0.6170819     2.157685  
1 1 1 25  7  8  o 9.732102  0.4546556     88.99514       11.55110  103.6756       13.46385      -0.7381552     0.9093111 
1 1 1 25  7  9  o 11.72406  0.4852002     139.5812       16.00373  139.0371       16.03467      0.2359364E-01  0.9704005 
1 1 1 25  7  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  7  11 o 18.46572  0.7361708     336.0219       38.20603  370.2578       38.32529      -0.9287068     1.472342  
1 1 1 25  7  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  7  13 o 3.698662  0.5443967     8.301622       5.703490  20.28807       5.665970      -1.574969      1.088793  
1 1 1 25  7  14 o 2.061428  0.5968066     1.018409       5.636211  2.737054       5.482421      -0.1420841     1.193613  
1 1 1 25  7  15 o 6.703024  0.4166905     44.05309       7.807127  49.27849       7.813868      -0.3933036     0.8333811 
1 1 1 25  7  16 o 3.724366  0.5411261     6.446505       5.801096  24.40971       5.912118      -2.258285      1.082252  
1 1 1 25  7  17 o 3.209753  0.6041302     7.705003       5.881215  15.98155       5.800974      -1.103381      1.208260  
1 1 1 25  7  18 o 4.126051  0.5700624     25.54489       6.573750  14.69265       6.328319      1.297249       1.140125  
1 1 1 25  7  19 f 2.482412  1.124887      ?              ?         6.084900       12.04163      ?              ?         
1 1 1 25  7  20 o 1.816838  0.5812145     5.994900       6.998905  -3.652164      6.556237      0.6035842      1.162429  
1 1 1 25  9  0  o 12.87624  0.5081713     157.6679       18.36235  176.7530       18.47151      -0.7434568     1.016343  
1 1 1 25  9  1  o 40.94340  1.655476      1744.392       190.7818  1852.202       190.9141      -1.319479      3.310953  
1 1 1 25  9  2  o 11.51944  0.4787233     134.2429       15.44529  133.6527       15.61387      0.2689662E-01  0.9574467 
1 1 1 25  9  3  o 13.08311  0.5180558     171.1503       19.04469  174.7521       19.14178      -0.1373953     1.036112  
1 1 1 25  9  4  o 14.26217  0.6183065     209.7038       26.86586  203.9208       23.18130      0.1716721      1.236613  
1 1 1 25  9  5  o 21.36532  0.8260288     441.0144       49.64486  492.9089       49.72063      -1.218650      1.652058  
1 1 1 25  9  6  o 20.22266  0.7761754     431.4363       44.27058  405.3619       44.15887      0.6456663      1.552351  
1 1 1 25  9  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  9  8  o 4.767154  0.4347680     23.11411       5.681567  23.45761       5.770930      -0.3477286E-01 0.8695360 
1 1 1 25  9  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  9  10 o 12.42263  0.5140565     151.9994       17.90654  162.5320       18.04646      -0.4236802     1.028113  
1 1 1 25  9  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  9  12 o 15.12255  0.6262035     234.0922       26.63522  242.0819       26.69354      -0.2637553     1.252407  
1 1 1 25  9  13 o 2.355052  0.5827832     -3.475386      5.793346  10.41505       5.761985      -1.421460      1.165566  
1 1 1 25  9  14 o 3.555760  0.5777281     6.559864       6.113968  20.42458       6.065664      -1.768852      1.155456  
1 1 1 25  9  15 o 6.999762  0.4327354     48.40659       8.498291  54.35170       8.443255      -0.4312165     0.8654709 
1 1 1 25  9  16 o 2.096148  0.6067297     -0.4124803     5.934807  5.376138       5.923574      -0.5212710     1.213459  
1 1 1 25  9  17 o 2.497581  0.5752777     -3.927286      6.075919  14.44417       6.036326      -1.829266      1.150555  
1 1 1 25  9  18 o 1.684976  0.5535762     -2.278616      6.537125  -2.852718      6.172721      0.7776970E-01  1.107152  
1 1 1 25  9  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  9  20 o 1.856233  0.6029313     5.149920       7.604246  -0.4411705     7.016947      0.3355090      1.205863  
1 1 1 25  11 0  o 20.58646  0.8305064     432.0737       51.89154  435.8070       45.12596      -0.1630121     1.661013  
1 1 1 25  11 1  o 24.59870  0.9417866     648.6270       65.28109  597.5099       65.21066      1.042026       1.883573  
1 1 1 25  11 2  o 18.08916  0.6815708     350.1043       34.75665  315.1969       34.68000      0.9678569      1.363142  
1 1 1 25  11 3  o 18.70096  0.7227957     353.5937       38.04707  360.1819       38.12322      -0.1759190     1.445591  
1 1 1 25  11 4  o 8.301826  0.4163655     65.26183       9.751735  73.79507       9.653503      -0.5184484     0.8327309 
1 1 1 25  11 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  11 6  o 3.824909  0.5519449     11.71448       6.201866  18.00353       5.559507      -0.8297786     1.103890  
1 1 1 25  11 7  o 1.931563  0.5835321     -1.643838      5.779089  1.246660       5.610018      -0.2120173     1.167064  
1 1 1 25  11 8  o 9.632553  0.4799788     99.80654       12.15359  87.47562       13.96987      0.6708883      0.9599575 
1 1 1 25  11 9  o 4.330892  0.5435125     23.24713       6.265274  15.20367       6.592611      0.9620941      1.087025  
1 1 1 25  11 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  11 11 o 3.030704  0.6081882     2.996956       5.748981  15.71652       6.292811      -1.614367      1.216376  
1 1 1 25  11 12 o 1.711522  0.5556486     -0.9477254     6.423062  -8.029598      6.253960      0.4360255      1.111297  
1 1 1 25  11 13 o 2.219456  0.6496921     1.411685       7.308058  2.663686       6.124743      0.4495481E-01  1.299384  
1 1 1 25  11 14 o 2.552046  0.6648247     5.729869       6.459393  6.659208       6.204348      -0.8246855E-01 1.329649  
1 1 1 25  11 15 o 4.920544  0.5324666     24.73610       7.098869  28.58938       7.224078      -0.3921966     1.064933  
1 1 1 25  11 16 o 2.296854  0.6105086     11.30167       6.524247  -3.927657      6.422821      1.355877       1.221017  
1 1 1 25  11 17 o 4.679301  0.5813998     30.86128       7.492599  21.53446       7.283938      0.9956840      1.162800  
1 1 1 25  11 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  11 19 o 1.880891  0.6107388     -1.634557      7.722533  4.205669       7.345296      -0.2849753     1.221478  
1 1 1 25  13 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  13 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  13 2  o 8.808778  0.4311056     90.00212       10.65844  66.97475       10.55620      1.316819       0.8622111 
1 1 1 25  13 3  o 4.772885  0.5238215     28.19943       6.685841  18.15347       6.891261      1.093404       1.047643  
1 1 1 25  13 4  o 11.73682  0.5103956     137.5260       16.88934  142.2444       16.83001      -0.2024744     1.020791  
1 1 1 25  13 5  o 7.500102  0.4395074     51.68737       9.455279  61.96929       8.993432      -0.6997475     0.8790148 
1 1 1 25  13 6  o 11.23625  0.5239316     127.2910       17.83739  129.7781       15.51751      -0.1425306     1.047863  
1 1 1 25  13 7  o 7.283420  0.4385587     58.36917       9.074868  49.62313       8.789804      0.6013826      0.8771174 
1 1 1 25  13 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  13 9  o 9.215408  0.4723392     87.20722       11.99610  86.79564       12.47367      0.3137892E-01  0.9446784 
1 1 1 25  13 10 o 3.622795  0.5777903     2.622634       6.325194  25.21924       6.915209      -2.655283      1.155581  
1 1 1 25  13 11 o 2.781194  0.6803741     9.465695       6.431488  5.444268       6.832386      0.4279321      1.360748  
1 1 1 25  13 12 o 5.444063  0.5294325     28.42679       7.919549  34.37159       7.898907      -0.5606710     1.058865  
1 1 1 25  13 13 o 2.946141  0.7034007     11.16986       7.215309  7.808557       6.781468      0.3976032      1.406801  
1 1 1 25  13 14 o 5.671036  0.5182030     34.20058       8.136642  36.20580       8.091872      -0.1832202     1.036406  
1 1 1 25  13 15 o 2.900528  0.7069054     12.90525       7.219561  7.208601       7.156076      0.6205352      1.413811  
1 1 1 25  13 16 o 4.882878  0.5954574     30.84304       7.829543  26.56817       8.012402      0.4727247      1.190915  
1 1 1 25  13 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  13 18 o 3.384326  0.7282023     12.75257       8.413731  24.54594       7.989469      -1.310370      1.456405  
1 1 1 25  13 19 o 3.246079  0.7769368     17.48189       9.354394  26.83846       8.698674      -1.022309      1.553874  
1 1 1 25  15 0  o 8.793056  0.9463442     ?              ?         80.05145       16.38082      ?              ?         
1 1 1 25  15 1  o 12.66817  0.6746404     195.4158       23.27844  134.7477       24.08618      2.434825       1.349281  
1 1 1 25  15 2  o 15.45566  0.6243265     277.1917       27.10824  212.4985       26.96166      2.102769       1.248653  
1 1 1 25  15 3  f 10.00000  0.4864414     97.97255       13.68476  105.5649       13.65140      -0.3821969     0.9728828 
1 1 1 25  15 4  o 12.98884  0.5974915     165.6732       23.30843  179.0752       20.58158      -0.5639825     1.194983  
1 1 1 25  15 5  o 18.61252  0.7438340     354.2207       39.09356  367.1686       38.89523      -0.3529873     1.487668  
1 1 1 25  15 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  15 7  o 10.99668  0.4994146     126.4646       15.38946  121.6448       15.50913      0.2223910      0.9988292 
1 1 1 25  15 8  o 7.064403  0.4972498     49.92239       9.845529  53.31995       9.752985      -0.2456372     0.9944995 
1 1 1 25  15 9  o 5.923638  0.5400385     32.49704       8.324929  41.55087       9.326095      -0.7422166     1.080077  
1 1 1 25  15 10 o 6.392229  0.5053855     44.16047       8.579372  41.49942       9.430394      0.2442099      1.010771  
1 1 1 25  15 11 o 3.456315  0.7208982     14.69497       7.311426  12.13392       7.873610      0.3027607      1.441796  
1 1 1 25  15 12 o 3.234095  0.7323247     9.925701       7.746756  13.89072       7.566459      -0.4445301     1.464649  
1 1 1 25  15 13 o 8.284719  0.5054228     64.44400       11.68471  84.59219       11.61577      -1.236183      1.010846  
1 1 1 25  15 14 o 5.393472  0.6122248     25.95364       9.020246  41.46154       8.852256      -1.503349      1.224450  
1 1 1 25  15 15 o 2.266297  0.6840346     6.572392       7.817513  1.122448       7.936411      0.3765374      1.368069  
1 1 1 25  15 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  15 17 o 2.035140  0.6564195     3.919482       8.523474  1.903831       8.233998      0.1208026      1.312839  
1 1 1 25  15 18 o 2.081821  0.6597841     16.40769       9.441029  -3.208487      8.790565      0.9800543      1.319568  
1 1 1 25  17 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  17 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  17 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  17 3  o 5.076980  0.7043603     31.04146       9.948917  24.14481       9.540528      0.6737584      1.408721  
1 1 1 25  17 4  o 5.991404  0.6214334     31.06480       10.11217  43.89594       10.16317      -1.102617      1.242867  
1 1 1 25  17 5  o 14.37398  0.6191093     229.9888       25.25326  201.0649       24.78592      0.9991509      1.238219  
1 1 1 25  17 6  o 16.72535  0.7451066     315.1115       37.93387  286.9418       32.70707      0.6660513      1.490213  
1 1 1 25  17 7  o 11.87258  0.5446998     135.6429       18.04782  158.6825       18.27289      -0.9693369     1.089400  
1 1 1 25  17 8  o 8.232041  0.5165616     72.66238       11.83204  69.75460       11.96974      0.1831067      1.033123  
1 1 1 25  17 9  o 7.804790  0.5254835     58.29667       11.10283  71.10490       11.76463      -0.8010840     1.050967  
1 1 1 25  17 10 o 3.506099  0.7667617     8.056727       8.068530  21.03798       9.475455      -1.360883      1.533523  
1 1 1 25  17 11 o 2.975326  0.7709448     10.39632       8.194118  8.981002       8.838740      0.1109032      1.541890  
1 1 1 25  17 12 o 9.313235  0.5467308     91.49709       14.12935  102.4855       14.38130      -0.5750185     1.093462  
1 1 1 25  17 13 o 3.104285  0.7511272     5.347040       8.953994  18.63721       8.454976      -1.245471      1.502254  
1 1 1 25  17 14 f 3.239007  0.7322006     26.50293       9.382803  1.868783       9.116602      2.141248       1.464401  
1 1 1 25  17 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  17 16 o 2.527434  0.7587789     14.41436       9.552610  8.383080       9.598921      0.3950804      1.517558  
1 1 1 25  17 17 o 1.770227  0.6097974     -4.384770      10.16741  0.4506454      9.607436      -0.1174813     1.219595  
1 1 1 25  19 0  o 3.133345  0.8187851     15.51524       9.867755  -3.116975      11.88444      1.213300       1.637570  
1 1 1 25  19 1  o 7.730732  0.6604207     79.52456       12.63574  46.54169       14.65258      2.283817       1.320841  
1 1 1 25  19 2  f 8.194319  0.5829043     80.95374       13.28544  60.13349       13.16851      1.287720       1.165809  
1 1 1 25  19 3  o 7.290255  0.5908178     60.58959       11.99314  52.00362       11.87436      0.5942655      1.181636  
1 1 1 25  19 4  o 8.186304  0.5728025     63.46893       13.36551  77.58340       12.73435      -0.9008769     1.145605  
1 1 1 25  19 5  o 6.035756  0.6443712     45.20229       10.85968  33.78354       10.33540      0.9450537      1.288742  
1 1 1 25  19 6  o 13.34881  0.6530653     232.8433       26.45264  157.8868       22.43288      2.630141       1.306131  
1 1 1 25  19 7  o 7.073343  0.6542809     57.87616       13.78931  53.67118       11.95556      0.1880197      1.308562  
1 1 1 25  19 8  o 2.651707  0.7621312     -1.938455      8.948530  11.94729       10.37613      -1.094666      1.524262  
1 1 1 25  19 9  o 4.461120  0.8199835     19.04040       9.921930  31.15845       11.21811      -1.133574      1.639967  
1 1 1 25  19 10 o 5.439766  0.7864618     31.44316       12.14775  41.92087       11.46137      -1.040466      1.572924  
1 1 1 25  19 11 o 6.886168  0.6286134     60.15997       11.35313  51.79320       12.56434      0.7648197      1.257227  
1 1 1 25  19 12 o 2.319118  0.7281969     4.908684       9.462397  0.9892627      9.734488      0.2007593      1.456394  
1 1 1 25  19 13 o 2.941821  0.9438652     22.65272       15.87558  5.035014       20.90201      0.6102409      1.887730  
1 1 1 25  19 14 o 2.447330  0.8507700     4.965147       15.28006  3.173992       31.90862      -0.1517847     1.701540  
1 1 1 25  19 15 o 2.168858  0.7166641     -0.5857108     11.36855  12.22810       11.09811      -0.4923214     1.433328  
1 1 1 25  21 0  o 6.165919  0.7621793     43.27354       12.51301  44.26083       13.12770      -0.3753348E-01 1.524359  
1 1 1 25  21 1  o 3.366202  0.9459997     7.234547       13.06909  14.87652       14.14650      -0.5492664     1.891999  
1 1 1 25  21 2  o 3.178076  0.9160846     10.84744       13.88791  6.693947       12.20470      0.3573646      1.832169  
1 1 1 25  21 3  o 2.736671  0.8283208     7.597680       11.85267  -1.240837      11.42153      0.5451593      1.656642  
1 1 1 25  21 4  o 9.715319  0.6156633     113.7408       17.22060  95.15883       16.20302      0.9017816      1.231327  
1 1 1 25  21 5  o 7.094167  0.6572265     59.88332       13.24179  54.75049       12.51019      0.3116088      1.314453  
1 1 1 25  21 6  f 2.568465  0.7979763     5.453396       12.20879  -0.6379200     10.40528      0.4720561      1.595953  
1 1 1 25  21 7  o 3.865336  0.9199127     18.92797       11.68078  22.28274       12.14992      -0.2764404     1.839825  
1 1 1 25  21 8  o 5.252174  0.8366374     38.99359       11.15783  33.55387       14.28786      0.8734619      1.673275  
1 1 1 25  21 9  o 2.398787  0.7629566     -3.849498      10.19353  9.123259       12.41997      -0.7701560     1.525913  
1 1 1 25  21 10 o 2.995217  0.8650146     15.65729       11.43822  10.89558       11.97696      0.3170031      1.730029  
1 1 1 25  21 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  21 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  21 13 o 2.359130  0.7647644     14.52820       11.69421  4.260398       11.87924      0.4389114      1.529529  
1 1 1 25  23 0  o 2.597542  0.8348343     -3.865284      12.92121  5.181252       14.15213      -0.4656589     1.669669  
1 1 1 25  23 1  o 5.699106  0.9292018     68.89326       15.14904  16.27075       24.46539      3.939537       1.858404  
1 1 1 25  23 2  o 2.495974  0.8184928     -0.7852267     13.41776  -4.407809      14.23005      0.7755233E-01  1.636986  
1 1 1 25  23 3  o 10.20410  0.7324957     138.5073       20.52751  116.9263       21.01586      1.131763       1.464991  
1 1 1 25  23 4  o 6.213242  0.8785030     72.08483       15.81600  34.26567       14.51534      2.822806       1.757006  
1 1 1 25  23 5  o 3.548195  0.9568271     24.25102       14.36921  16.13951       12.51299      0.5157681      1.913654  
1 1 1 25  23 6  o 4.899839  0.9746398     34.12282       14.15372  42.77934       14.22295      -0.7408515     1.949280  
1 1 1 25  23 7  o 5.019241  0.8819941     55.46787       13.18605  23.33418       17.05225      2.959611       1.763988  
1 1 1 25  23 8  o 2.256964  0.7652760     -4.496445      13.32281  -0.6445462     14.78938      -0.1854494     1.530552  
1 1 1 25  23 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  23 10 o 1.767443  0.6294284     -19.15049      13.60232  -23.34323      15.33157      -0.3600553E-01 1.258857  
1 1 1 25  25 0  o 4.065758  1.077158      40.29641       16.54641  31.85659       17.56544      0.6506430      2.154316  
1 1 1 25  25 1  o 2.593509  0.8546041     14.30393       15.28761  -6.055254      16.78156      0.6172957      1.709208  
1 1 1 25  25 2  o 2.354546  0.7971955     13.39663       16.10695  -24.71022      17.50143      0.8762348      1.594391  
1 1 1 25  25 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  25 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  25 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 25  25 6  o 3.055078  0.9961770     29.67062       21.56556  28.98904       18.79922      -0.9734640E-01 1.992354  
1 1 1 25  25 7  o 2.232690  0.7716759     8.505449       15.51613  -6.851706      17.36360      0.2968736      1.543352  
1 1 1 26  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  6  o 22.52375  1.819853      527.6623       80.70940  527.6623       80.70940      ?              ?         
1 1 1 26  0  7  o 20.10889  1.100502      411.4294       43.95465  411.4294       43.95465      ?              ?         
1 1 1 26  0  8  o 6.800911  0.4829573     47.03372       6.491533  47.03372       6.491533      ?              ?         
1 1 1 26  0  9  o 10.34744  0.8960372     110.2376       18.21006  110.2376       18.21006      ?              ?         
1 1 1 26  0  10 o 4.923902  0.5698357     25.28435       5.416239  25.28435       5.416239      ?              ?         
1 1 1 26  0  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  0  12 o 3.047670  0.9285963     11.64034       4.941867  11.64034       4.941867      ?              ?         
1 1 1 26  0  13 o 8.615439  0.5892028     75.80615       10.04166  75.80615       10.04166      ?              ?         
1 1 1 26  0  14 o 1.875954  1.017900      5.164574       5.366225  5.164574       5.366225      ?              ?         
1 1 1 26  0  15 o 6.489591  0.5801144     43.67227       7.384430  43.67227       7.384430      ?              ?         
1 1 1 26  0  16 f 6.148154  0.5804220     39.49032       6.982165  39.49032       6.982165      ?              ?         
1 1 1 26  0  17 o 1.105885  0.7572647     -2.977871      5.323552  -2.977871      5.323552      ?              ?         
1 1 1 26  0  18 f 1.329891  0.8613792     0.5432286      5.412573  0.5432286      5.412573      ?              ?         
1 1 1 26  0  19 o 1.245925  0.8353302     -0.9395064     5.826260  -0.9395064     5.826260      ?              ?         
1 1 1 26  0  20 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  2  0  o 10.08245  0.4196910     99.91782       11.89744  104.8262       11.92874      -0.2441358     0.8393819 
1 1 1 26  2  1  o 15.66053  0.6121810     243.6907       27.00340  252.3107       27.01207      -0.2760533     1.224362  
1 1 1 26  2  2  o 35.69769  1.422304      1322.491       143.0173  1349.419       143.0235      -0.3783355     2.844608  
1 1 1 26  2  3  o 26.44457  1.017341      699.8257       75.75050  734.9628       75.83022      -0.6658106     2.034683  
1 1 1 26  2  4  o 28.75522  1.123334      838.1246       90.97282  868.2781       91.02085      -0.5255388     2.246668  
1 1 1 26  2  5  o 29.23508  1.222022      871.0236       94.07032  911.2296       108.6618      -0.5196658     2.444044  
1 1 1 26  2  6  o 26.81610  1.372773      737.6454       94.39960  787.1532       115.5496      -0.6247811     2.745546  
1 1 1 26  2  7  o 10.17951  0.5939072     100.9107       16.86640  109.6485       17.00766      -0.4310846     1.187814  
1 1 1 26  2  8  o 16.38345  0.9296925     239.3266       42.42073  314.3142       42.53236      -2.311940      1.859385  
1 1 1 26  2  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  2  10 o 31.31419  1.959081      1013.487       170.4767  1285.001       171.0314      -4.373308      3.918161  
1 1 1 26  2  11 o 13.07429  0.7863736     137.2914       28.12520  219.0604       28.37778      -3.165346      1.572747  
1 1 1 26  2  12 o 4.244689  0.6309958     14.11006       7.693846  23.15124       7.232300      -1.061556      1.261992  
1 1 1 26  2  13 o 5.187717  0.6007960     29.02972       9.092093  27.93501       8.032908      0.7208782E-01  1.201592  
1 1 1 26  2  14 o 2.551689  0.6965042     8.177457       7.940188  1.944948       6.729956      0.7072533      1.393008  
1 1 1 26  2  15 o 8.988050  0.5531273     85.97199       15.90924  85.12710       12.52826      -0.8320113E-01 1.106255  
1 1 1 26  2  16 o 3.431636  0.5936049     15.29341       5.878872  10.97501       5.602962      0.5813867      1.187210  
1 1 1 26  2  17 f 2.182748  0.5938295     1.388905       5.319191  6.575489       5.387740      -0.5676953     1.187659  
1 1 1 26  2  18 o 2.029963  0.5889506     0.5496287      5.539422  5.079817       5.546617      -0.4251980     1.177901  
1 1 1 26  2  19 o 4.302185  0.5469390     25.21502       6.534018  19.34636       6.254235      0.6584116      1.093878  
1 1 1 26  2  20 o 2.500565  0.7600004     9.979462       8.157157  8.183413       12.57821      0.9246237E-01  1.520001  
1 1 1 26  4  0  o 8.866336  0.3864448     75.07727       9.559698  83.15578       9.714122      -0.4566422     0.7728897 
1 1 1 26  4  1  o 6.410467  0.3471606     40.13632       6.184740  42.74402       6.305497      -0.2035948     0.6943213 
1 1 1 26  4  2  o 25.71613  1.003056      669.6705       72.66600  686.9099       72.67625      -0.3361606     2.006112  
1 1 1 26  4  3  f 11.10400  0.4497576     118.5336       13.99385  129.8295       14.12139      -0.5098732     0.8995153 
1 1 1 26  4  4  o 33.50256  1.418725      1130.196       124.9584  1241.771       144.4545      -1.413524      2.837449  
1 1 1 26  4  5  o 13.96147  0.5496372     181.6474       21.51778  211.8531       21.65176      -1.085813      1.099274  
1 1 1 26  4  6  o 8.237112  0.3803360     68.79162       8.930647  68.04240       8.698942      0.4387303E-01  0.7606720 
1 1 1 26  4  7  o 17.18665  0.6631373     291.6181       32.07411  308.5837       32.13546      -0.4946958     1.326275  
1 1 1 26  4  8  o 16.14278  0.6210654     264.9068       28.23708  264.8549       28.26332      0.1859775E-02  1.242131  
1 1 1 26  4  9  o 4.706507  0.7820784     23.00397       7.103456  ?              ?             ?              ?         
1 1 1 26  4  10 o 19.84499  0.7788250     393.5075       43.50364  418.9871       43.55435      -0.6435207     1.557650  
1 1 1 26  4  11 o 10.05307  0.4346322     98.95592       12.30449  105.9874       12.28440      -0.3515026     0.8692643 
1 1 1 26  4  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  4  13 o 5.182333  0.4220898     24.87797       6.035343  30.16911       6.070501      -0.5190276     0.8441796 
1 1 1 26  4  14 o 5.836844  0.4228638     28.17887       6.720759  42.00300       6.865370      -1.201987      0.8457275 
1 1 1 26  4  15 o 2.678938  0.6564523     7.062891       5.647544  7.479709       6.558530      -0.1052492     1.312905  
1 1 1 26  4  16 o 2.698520  0.7259653     10.17086       8.631401  4.214928       7.046047      0.6637930      1.451931  
1 1 1 26  4  17 o 2.694344  0.7198213     2.618680       8.815381  10.60462       7.178179      -0.6091983     1.439643  
1 1 1 26  4  18 o 2.672513  0.7228189     4.600926       8.983252  10.63146       7.105333      -0.4597267     1.445638  
1 1 1 26  4  19 o 1.884787  0.6236512     -0.7850324E-01 9.849010  -3.220494      7.052835      0.3995501      1.247302  
1 1 1 26  4  20 o 2.083749  0.6739324     7.190938       10.20627  0.6961830      7.872804      0.4298116      1.347865  
1 1 1 26  6  0  o 24.61034  0.9465830     594.3276       65.55639  644.9323       65.65846      -1.030990      1.893166  
1 1 1 26  6  1  f 5.080694  0.3864455     25.77009       5.580204  26.58648       5.357244      -0.8463642E-01 0.7728910 
1 1 1 26  6  2  o 26.91245  1.053896      737.1405       79.89347  754.2862       79.91625      -0.3193321     2.107793  
1 1 1 26  6  3  o 16.28000  0.6250600     265.1516       28.62205  271.5677       28.72309      -0.1969324     1.250120  
1 1 1 26  6  4  o 13.63734  0.5357854     187.3094       20.60545  188.5505       20.56477      -0.4592906E-01 1.071571  
1 1 1 26  6  5  o 18.71889  0.7282388     331.7142       38.29926  380.5225       38.41751      -1.308456      1.456478  
1 1 1 26  6  6  o 5.410142  0.3936126     24.01554       6.078087  34.80838       5.651115      -1.025745      0.7872251 
1 1 1 26  6  7  o 25.87092  0.9886218     683.2327       72.04502  703.7719       72.08754      -0.3976237     1.977244  
1 1 1 26  6  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  6  9  o 4.666499  0.4365557     27.56052       5.458606  16.66263       5.560673      1.207416       0.8731115 
1 1 1 26  6  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  6  11 o 1.755242  0.5427132     -2.600065      5.201288  0.3555363      5.128968      -0.2248276     1.085426  
1 1 1 26  6  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  6  13 f 2.603546  0.6231368     7.597077       5.482799  5.702464       5.480502      0.2436148      1.246274  
1 1 1 26  6  14 o 7.734849  0.4113493     62.40476       8.939147  60.94018       8.926420      0.9489173E-01  0.8226986 
1 1 1 26  6  15 o 2.277795  0.6267627     2.788694       5.803084  5.165596       5.875727      -0.2549309     1.253525  
1 1 1 26  6  16 o 6.241103  0.4365898     33.57039       7.489588  48.83566       7.531994      -1.242456      0.8731797 
1 1 1 26  6  17 o 5.166719  0.4815779     34.58166       6.793930  23.80655       6.769249      1.071465       0.9631559 
1 1 1 26  6  18 o 3.927719  0.5639094     26.91935       6.336058  10.24810       6.230501      2.036953       1.127819  
1 1 1 26  6  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  6  20 o 2.629171  0.6918746     12.72401       7.024568  10.13103       6.778014      0.2495375      1.383749  
1 1 1 26  8  0  o 28.97745  1.112571      838.0723       90.75040  899.1216       90.86347      -1.055851      2.225142  
1 1 1 26  8  1  o 14.78304  0.5796853     209.2056       24.10232  232.5393       24.14532      -0.7921374     1.159371  
1 1 1 26  8  2  o 23.73553  0.9317604     570.2466       62.26447  586.1243       62.34118      -0.3347746     1.863521  
1 1 1 26  8  3  o 12.86337  0.5412514     164.9765       18.31040  170.5836       21.21003      -0.1959138     1.082503  
1 1 1 26  8  4  o 14.87578  0.5940140     217.1556       24.86289  231.2029       24.90353      -0.4735571     1.188028  
1 1 1 26  8  5  f 16.73838  0.6591221     259.3033       30.92785  309.8341       31.10220      -1.515183      1.318244  
1 1 1 26  8  6  o 5.089189  0.4225947     21.62863       6.072468  30.54785       5.745673      -0.9053617     0.8451895 
1 1 1 26  8  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  8  8  o 17.01360  0.6654224     294.5176       31.89316  297.7349       31.89909      -0.9477441E-01 1.330845  
1 1 1 26  8  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  8  10 o 12.01798  0.5108972     144.2133       17.19885  150.4163       17.36889      -0.2566684     1.021794  
1 1 1 26  8  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  8  12 f 6.113229  0.4301218     43.10913       7.274210  33.28282       7.322834      0.8178989      0.8602437 
1 1 1 26  8  13 o 11.34428  0.4981382     123.8583       15.76767  142.7399       15.99636      -0.8305106     0.9962765 
1 1 1 26  8  14 o 2.851610  0.5979494     1.287121       6.017562  14.43228       5.866405      -1.566408      1.195899  
1 1 1 26  8  15 o 3.924492  0.5914451     18.74240       6.414808  15.59357       6.319319      0.3932525      1.182890  
1 1 1 26  8  16 o 2.810108  0.5661987     17.18103       6.060412  -2.194315      6.045791      2.131428       1.132397  
1 1 1 26  8  17 f 4.220667  0.5603091     11.47207       6.432045  30.47321       6.628314      -2.213324      1.120618  
1 1 1 26  8  18 o 2.700243  0.6658026     5.938333       6.706758  12.82891       6.395062      -0.7626745     1.331605  
1 1 1 26  8  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  10 0  o 28.36524  1.105441      847.8360       88.34016  827.3260       88.33984      0.3626774      2.210883  
1 1 1 26  10 1  o 29.47418  1.256062      871.7776       97.27544  966.9126       112.4963      -1.385952      2.512125  
1 1 1 26  10 2  o 22.23801  0.8723758     497.2632       54.59692  518.8937       54.69664      -0.4868396     1.744752  
1 1 1 26  10 3  o 6.857761  0.3931475     45.86111       7.394063  49.35653       7.729690      -0.2529306     0.7862949 
1 1 1 26  10 4  o 22.04679  0.9439108     493.6277       63.28278  510.5812       54.78104      -0.5025120     1.887822  
1 1 1 26  10 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  10 6  o 5.367138  0.4331032     24.57049       6.451998  33.73313       6.353474      -0.8747365     0.8662063 
1 1 1 26  10 7  o 2.157980  0.6051660     -1.624220      5.889274  5.522047       5.757846      -0.6653075     1.210332  
1 1 1 26  10 8  o 4.564015  0.5207557     28.59766       6.394232  14.32183       6.383138      1.611884       1.041511  
1 1 1 26  10 9  o 12.82129  0.5336509     169.0618       19.19718  166.9061       19.33639      0.8641481E-01  1.067302  
1 1 1 26  10 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  10 11 o 13.51589  0.5691463     179.7439       21.53379  198.3023       21.75224      -0.6846831     1.138293  
1 1 1 26  10 12 o 9.417948  0.4581167     86.55397       12.03097  96.30994       12.20539      -0.5165874     0.9162333 
1 1 1 26  10 13 o 3.568671  0.5945765     4.173479       6.801094  22.52322       6.534061      -2.172631      1.189153  
1 1 1 26  10 14 o 6.706917  0.4647788     33.91169       8.330033  61.75072       8.480990      -2.107614      0.9295575 
1 1 1 26  10 15 o 2.108122  0.6274953     0.9667107      6.356130  2.959464       6.419909      -0.1725267     1.254991  
1 1 1 26  10 16 o 1.673917  0.5492018     -0.2922266     6.397739  -7.680161      6.430472      0.3919846      1.098404  
1 1 1 26  10 17 o 3.034275  0.6860663     10.05065       6.764016  14.21517       6.715554      -0.5010402     1.372133  
1 1 1 26  10 18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  10 19 o 1.732771  0.5726017     -3.759442      7.428431  1.748977       6.721061      -0.2105856     1.145203  
1 1 1 26  12 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  12 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  12 2  o 13.90662  0.8384676     200.1317       32.66357  200.4596       32.66801      -0.1181372E-01 1.676935  
1 1 1 26  12 3  o 5.697657  0.4674818     35.95021       7.205692  29.89351       7.546582      0.5487339      0.9349635 
1 1 1 26  12 4  o 5.132473  0.5511232     25.82304       8.068811  28.43176       7.459411      -0.2754016     1.102246  
1 1 1 26  12 5  o 11.74917  0.5055425     125.3359       16.78016  154.5982       16.55422      -1.255919      1.011085  
1 1 1 26  12 6  f 12.53451  0.6812795     166.8128       26.57043  158.6028       21.99917      0.2531018      1.362559  
1 1 1 26  12 7  f 9.901010  0.4568883     94.23428       12.77553  104.8124       12.65322      -0.5388985     0.9137767 
1 1 1 26  12 8  o 2.973562  0.7537984     7.300436       8.238986  8.638464       7.894574      -0.1072656     1.507597  
1 1 1 26  12 9  o 3.294352  0.7777552     7.344584       7.582019  15.61383       9.916005      -0.9644371     1.555510  
1 1 1 26  12 10 o 2.478393  0.6686088     5.448435       6.408652  3.946941       6.651742      0.1269815      1.337218  
1 1 1 26  12 11 o 2.711250  0.6771953     8.526148       6.283835  5.191084       6.868171      0.3276131      1.354391  
1 1 1 26  12 12 o 3.558574  0.6518692     6.324275       7.231851  20.70632       7.142852      -1.685795      1.303738  
1 1 1 26  12 13 o 3.988958  0.6424492     13.33636       7.372898  21.82873       7.094352      -1.033558      1.284898  
1 1 1 26  12 14 o 3.271167  0.6871513     8.354124       7.372037  15.97005       6.874747      -0.9008630     1.374303  
1 1 1 26  12 15 o 4.558020  0.6096432     23.70398       7.515442  25.06584       7.626154      -0.1404827     1.219286  
1 1 1 26  12 16 o 2.761500  0.6916647     13.81077       7.111537  5.066368       7.192623      0.8998662      1.383329  
1 1 1 26  12 17 o 2.722397  1.242731      ?              ?         10.41403       15.03771      ?              ?         
1 1 1 26  12 18 o 2.039947  0.6429759     1.323348       7.799274  5.682578       7.410792      -0.2474412     1.285952  
1 1 1 26  12 19 o 1.741950  0.5849858     2.994942       8.284165  -2.162962      7.391663      0.2697130      1.169972  
1 1 1 26  14 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  14 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  14 2  o 7.694190  0.6886867     44.00380       13.94592  79.15645       14.57071      -2.335793      1.377373  
1 1 1 26  14 3  o 11.28659  0.5076193     132.5813       16.12454  126.8766       16.11120      0.2536547      1.015239  
1 1 1 26  14 4  o 10.60609  0.5474561     115.3699       17.46701  114.9545       15.35545      -0.1311022E-01 1.094912  
1 1 1 26  14 5  o 9.397731  0.4767935     102.4710       12.87451  77.81803       12.19794      1.311218       0.9535869 
1 1 1 26  14 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  14 7  o 14.54236  1.480878      349.4134       56.41826  157.0225       55.74881      6.780780       2.961756  
1 1 1 26  14 8  o 4.541929  0.6407746     17.94055       8.230943  25.48759       7.782197      -0.8514433     1.281549  
1 1 1 26  14 9  o 7.750167  0.4829416     49.91484       9.937488  74.93613       10.82110      -1.609640      0.9658832 
1 1 1 26  14 10 o 5.747381  0.5447518     29.38432       8.063460  40.84240       9.124905      -0.9742036     1.089504  
1 1 1 26  14 11 o 7.756314  0.4686684     63.11208       9.888231  63.09586       10.50613      0.2437519E-01  0.9373368 
1 1 1 26  14 12 o 2.855801  0.6459935     17.26236       7.388040  -3.825500      7.497701      1.974853       1.291987  
1 1 1 26  14 13 o 2.128068  0.6595577     1.145044       7.772165  -0.4095720     7.435404      0.1424621      1.319115  
1 1 1 26  14 14 o 3.547929  0.6279339     1.358071       8.089059  26.86079       7.575220      -2.619962      1.255868  
1 1 1 26  14 15 f 3.925813  0.7113367     14.35230       8.162364  26.09067       8.282640      -1.312575      1.422673  
1 1 1 26  14 16 o 3.532403  0.9882230     21.47184       13.26980  32.13765       16.28855      -0.4411369     1.976446  
1 1 1 26  14 17 o 1.816596  0.6088537     -0.1393543     8.448341  -3.953485      8.347071      0.1657185      1.217707  
1 1 1 26  14 18 o 4.442535  0.7756780     36.75476       9.902458  33.79767       9.481475      0.1796711      1.551356  
1 1 1 26  16 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  16 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  16 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  16 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  16 4  o 6.073267  0.6259981     37.03302       10.60315  40.47195       10.26289      -0.3009113     1.251996  
1 1 1 26  16 5  o 3.620201  0.7766922     14.51324       8.752350  13.65816       8.543339      0.9768956E-01  1.553384  
1 1 1 26  16 6  o 14.55988  0.6187974     232.3257       25.52161  210.9636       25.17313      0.7275057      1.237595  
1 1 1 26  16 7  o 9.662721  0.5078171     103.2068       13.67562  90.23781       13.84565      0.6810427      1.015634  
1 1 1 26  16 8  o 12.91279  0.5731868     177.6644       20.90254  174.0126       20.75399      0.1369267      1.146374  
1 1 1 26  16 9  o 6.893375  0.5483316     47.84292       10.30408  53.49744       10.68978      -0.3988094     1.096663  
1 1 1 26  16 10 f 3.809273  0.7474875     9.667261       7.986774  24.53440       9.449652      -1.586874      1.494975  
1 1 1 26  16 11 o 4.810532  0.6857906     20.12357       8.536243  33.40807       9.519196      -1.312594      1.371581  
1 1 1 26  16 12 o 3.717919  0.7200024     24.05241       8.322941  8.910395       8.608418      1.635644       1.440005  
1 1 1 26  16 13 o 2.923823  0.7599146     11.65256       8.225703  9.606434       8.320749      0.1953006      1.519829  
1 1 1 26  16 14 o 2.456051  0.6771861     -7.799238      8.777646  15.90084       8.477187      -1.575691      1.354372  
1 1 1 26  16 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  16 16 o 3.341433  0.8243052     19.27526       9.662967  22.72379       9.588682      -0.3353933     1.648610  
1 1 1 26  16 17 o 1.636457  0.5715072     -7.533891      9.714918  -6.390648      9.538523      -0.1792014E-01 1.143014  
1 1 1 26  18 0  o 11.95247  0.5989328     159.9095       19.48942  137.8042       20.72092      0.9679868      1.197866  
1 1 1 26  18 1  o 4.775742  0.7911205     36.86334       10.62827  9.914936       13.13239      2.415451       1.582241  
1 1 1 26  18 2  o 3.461769  0.7389442     30.19751       11.99298  -15.31477      10.43605      3.298345       1.477888  
1 1 1 26  18 3  o 2.267384  0.7078552     -18.40916      10.65908  5.726312       10.12815      -1.077366      1.415710  
1 1 1 26  18 4  o 8.545869  0.6020344     74.61929       15.36011  79.57510       13.51140      -0.3630496     1.204069  
1 1 1 26  18 5  o 8.700226  0.5575005     80.89793       14.09421  79.20831       13.10022      0.6121784E-01  1.115001  
1 1 1 26  18 6  o 3.050278  0.8157179     13.39584       10.48923  4.068662       9.393837      0.8408154      1.631436  
1 1 1 26  18 7  o 9.741217  0.5429870     103.0923       14.86955  99.18499       14.80501      0.1990632      1.085974  
1 1 1 26  18 8  o 4.644029  0.7511783     25.93830       9.401895  24.41901       9.953925      0.1939185      1.502357  
1 1 1 26  18 9  o 3.208554  0.8061740     17.45807       9.508129  4.189569       10.34338      1.103203       1.612348  
1 1 1 26  18 10 o 3.815766  0.8328931     22.37127       9.322366  12.98601       12.16035      0.9381036      1.665786  
1 1 1 26  18 11 o 2.797662  0.7986594     8.010803       9.126718  8.971570       10.46585      -0.1237117     1.597319  
1 1 1 26  18 12 o 3.534648  0.7990203     10.33045       9.385109  25.19766       9.873405      -1.402820      1.598041  
1 1 1 26  18 13 o 4.136450  0.7031882     6.487679       9.958423  41.94181       10.06752      -3.230086      1.406376  
1 1 1 26  18 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  18 15 o 1.958475  0.6643192     1.849530       10.63563  -3.180678      10.63903      0.1675705      1.328638  
1 1 1 26  20 0  o 6.868303  0.7913541     53.93740       12.78694  53.73237       18.90074      0.4341253      1.582708  
1 1 1 26  20 1  o 4.061574  0.9910293     18.81297       11.93411  20.79491       16.66762      -0.1850372     1.982059  
1 1 1 26  20 2  o 9.753363  0.6824104     137.2655       17.33939  73.20870       17.97929      3.386024       1.364821  
1 1 1 26  20 3  o 3.539085  0.8796918     5.659493       11.80082  21.13952       11.53809      -1.238191      1.759384  
1 1 1 26  20 4  o 2.950061  0.8646692     1.101235       13.21775  9.322596       11.09016      -0.3496846     1.729338  
1 1 1 26  20 5  o 3.098933  0.8530430     16.10192       12.07387  3.500251       10.37995      1.011754       1.706086  
1 1 1 26  20 6  o 4.700527  0.8697230     29.63756       12.10409  26.29215       11.31143      0.2669242      1.739446  
1 1 1 26  20 7  o 3.044337  0.8002040     21.69852       11.24033  -6.595849      11.36064      1.873262       1.600408  
1 1 1 26  20 8  o 2.643212  0.7933732     1.183906       10.04743  9.554811       11.01881      -0.5846310     1.586746  
1 1 1 26  20 9  o 2.299027  0.7422258     -1.516872      9.595735  1.088921       12.06220      -0.3181950     1.484452  
1 1 1 26  20 10 o 6.724361  0.7333844     52.19164       12.71341  65.86822       14.27864      -0.8000811     1.466769  
1 1 1 26  20 11 o 1.957164  0.6686623     -8.218275      10.33322  -6.379974      12.11521      -0.1977896     1.337325  
1 1 1 26  20 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  20 13 o 2.905769  0.8396202     11.50861       11.37126  24.23787       11.48665      -0.8183904     1.679240  
1 1 1 26  22 0  o 5.217467  0.9539078     28.02463       13.77157  45.86568       15.05206      -1.419800      1.907816  
1 1 1 26  22 1  o 2.711555  0.8794436     -9.366480      13.52406  10.82959       19.20056      -1.090805      1.758887  
1 1 1 26  22 2  o 3.295116  0.9519050     6.096891       13.91742  19.25889       14.94985      -0.8018859     1.903810  
1 1 1 26  22 3  o 4.748172  0.9848452     25.84961       14.19455  38.53621       14.49204      -1.052057      1.969690  
1 1 1 26  22 4  o 3.784206  0.9575132     13.24619       14.47583  26.56059       12.96404      -1.010306      1.915026  
1 1 1 26  22 5  o 3.350015  0.9225340     16.94623       13.05524  14.15913       12.14428      0.1945811      1.845068  
1 1 1 26  22 6  f 8.075096  0.7154934     76.27538       16.40298  86.19968       15.50852      -0.7473809     1.430987  
1 1 1 26  22 7  o 3.408510  0.9272427     7.849221       13.65198  29.25321       13.84318      -1.373629      1.854485  
1 1 1 26  22 8  o 2.672885  0.8234874     17.64460       12.35130  -4.919961      13.74765      1.008873       1.646975  
1 1 1 26  22 9  o 3.399637  1.619200      ?              ?         43.92878       30.33630      ?              ?         
1 1 1 26  22 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  22 11 o 2.505301  0.8158044     3.618410       13.19450  21.65834       14.40089      -0.6853006     1.631609  
1 1 1 26  24 0  o 2.662584  0.8767989     0.8472669      15.52575  7.411239       16.69925      -0.2624950     1.753598  
1 1 1 26  24 1  o 3.639985  1.030420      14.39757       17.19416  37.70296       17.25532      -1.260294      2.060841  
1 1 1 26  24 2  o 7.770955  0.8992779     14.44983       32.62530  195.0816       23.74886      -9.180908      1.798556  
1 1 1 26  24 3  o 2.367754  0.8093356     -8.244802      16.11068  -1.722338      16.85410      -0.1981807     1.618671  
1 1 1 26  24 4  o 3.429543  0.9773257     10.48788       17.25186  35.17272       15.46092      -1.359124      1.954651  
1 1 1 26  24 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  24 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  24 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 26  24 8  o 2.187201  0.7580158     1.498165       15.34456  -2.542715      16.55964      0.5668172E-01  1.516032  
1 1 1 26  26 0  o 2.402268  0.8301708     22.46039       18.50954  -16.19598      21.77943      0.6912857      1.660342  
1 1 1 26  26 1  o 2.802255  0.9395377     27.32168       19.42052  20.71118       20.81157      0.2126719      1.879075  
1 1 1 26  26 2  o 2.818629  0.9433729     35.27839       19.00110  15.24839       23.79639      0.6271318      1.886746  
1 1 1 27  1  0  o 26.44072  1.483049      840.3696       109.4481  631.3498       109.1059      3.990934       2.966098  
1 1 1 27  1  1  o 13.34826  0.8795530     180.5114       23.35007  ?              ?             ?              ?         
1 1 1 27  1  2  o 24.89562  1.375811      599.5787       95.78741  697.8488       96.07285      -1.986771      2.751622  
1 1 1 27  1  3  o 4.971315  0.5758634     24.65902       7.790425  26.38814       7.838060      -0.1769861     1.151727  
1 1 1 27  1  4  o 20.75590  1.182185      413.5144       68.68741  480.6578       68.68972      -1.632027      2.364369  
1 1 1 27  1  5  o 20.21548  1.149987      387.6668       65.05688  460.4063       65.03873      -1.816331      2.299973  
1 1 1 27  1  6  o 14.28140  0.8206732     194.8319       32.91897  222.4628       32.71626      -0.9783114     1.641346  
1 1 1 27  1  7  o 6.673023  0.5372567     40.58903       9.747068  50.15208       10.10040      -0.7235700     1.074513  
1 1 1 27  1  8  o 8.188634  0.5448308     59.39480       12.53534  76.49393       12.28165      -1.063111      1.089662  
1 1 1 27  1  9  o 9.386849  0.6061202     65.16184       15.35538  116.4374       15.50728      -2.773664      1.212240  
1 1 1 27  1  10 o 15.10031  0.8752768     200.0661       36.68851  275.1414       36.81236      -2.513100      1.750554  
1 1 1 27  1  11 o 5.577475  0.4477653     26.74310       7.349087  35.93613       6.474343      -0.8652811     0.8955306 
1 1 1 27  1  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  1  13 o 4.883030  0.4424046     26.93392       5.928195  22.12453       5.968317      0.5049979      0.8848092 
1 1 1 27  1  14 f 5.619267  0.4155068     33.25651       6.489336  32.04184       6.521390      0.1103591      0.8310136 
1 1 1 27  1  15 o 4.075551  0.5446796     18.10200       6.042523  17.96813       6.054978      0.1732012E-01  1.089359  
1 1 1 27  1  16 o 1.995208  0.5885694     0.3295695      5.564028  2.965331       5.574382      -0.2402819     1.177139  
1 1 1 27  1  17 o 3.118580  0.6219281     12.21320       5.751709  10.77651       5.706288      0.1952860      1.243856  
1 1 1 27  1  18 o 3.150806  0.6123452     8.128339       5.872169  16.08825       5.872602      -1.052885      1.224690  
1 1 1 27  1  19 o 2.204945  0.7236694     -5.690643      11.24223  6.490384       11.00731      -0.4823348     1.447339  
1 1 1 27  1  20 o 1.931934  0.6019406     1.334657       6.432043  4.780298       6.475901      -0.2443344     1.203881  
1 1 1 27  3  0  o 9.670265  0.4126565     93.92993       11.22582  94.51442       11.24269      -0.3022264E-01 0.8253130 
1 1 1 27  3  1  o 13.72734  0.5435376     190.6978       21.01339  189.9538       21.02558      0.2726538E-01  1.087075  
1 1 1 27  3  2  o 8.096151  0.3806331     61.10111       8.669417  70.72688       8.638103      -0.5985100     0.7612663 
1 1 1 27  3  3  o 15.92155  0.6205546     259.5097       27.79329  253.7123       27.87869      0.1832518      1.241109  
1 1 1 27  3  4  o 9.361164  0.4041459     86.45812       10.67706  90.11220       10.61917      -0.1963740     0.8082917 
1 1 1 27  3  5  o 11.14801  0.4652724     121.0122       14.52280  129.7655       14.67680      -0.3930333     0.9305449 
1 1 1 27  3  6  o 2.688515  0.5699953     5.416872       5.247125  8.606544       4.424547      -0.4099478     1.139991  
1 1 1 27  3  7  o 26.70070  1.040262      732.0726       78.24150  749.6600       78.26534      -0.3300661     2.080524  
1 1 1 27  3  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  3  9  o 14.32648  0.5711926     203.8386       23.04207  213.7233       23.05192      -0.3460834     1.142385  
1 1 1 27  3  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  3  11 o 3.261597  0.7366994     10.93233       8.022552  10.77942       7.355556      0.4736624E-01  1.473399  
1 1 1 27  3  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  3  13 o 4.727611  0.6509938     16.03866       8.922574  30.71991       8.202418      -1.575471      1.301988  
1 1 1 27  3  14 o 4.493934  0.6652489     13.67700       9.124527  29.01501       7.999820      -1.681152      1.330498  
1 1 1 27  3  15 o 5.956586  0.6357790     40.65197       11.10935  37.66761       9.772371      0.1780004      1.271558  
1 1 1 27  3  16 o 2.056659  0.6385102     5.781439       8.940915  -7.961845      7.157842      1.039989       1.277020  
1 1 1 27  3  17 o 3.172801  0.6849656     24.67616       9.146158  -1.180737      7.492841      2.459445       1.369931  
1 1 1 27  3  18 o 5.171566  0.6928834     30.70652       10.79056  36.58231       9.136459      -0.8141665     1.385767  
1 1 1 27  3  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  3  20 o 1.629956  0.5596058     -14.35350      10.44463  -2.035695      6.874223      -0.6600633E-01 1.119212  
1 1 1 27  5  0  o 22.72790  0.8783141     519.6434       56.21518  535.8655       56.26863      -0.3575316     1.756628  
1 1 1 27  5  1  o 16.13263  0.6257985     251.7111       28.39805  274.8961       28.45979      -0.7208634     1.251597  
1 1 1 27  5  2  o 19.97550  0.7798282     386.0998       43.83077  425.6334       43.88441      -0.9930558     1.559656  
1 1 1 27  5  3  o 17.22702  0.6664382     296.7393       32.31032  305.3520       32.38211      -0.2502027     1.332876  
1 1 1 27  5  4  o 25.26904  0.9728854     658.0460       69.29149  655.9759       69.25109      0.4065968E-01  1.945771  
1 1 1 27  5  5  o 10.56846  0.4467841     109.2638       13.24131  116.1424       13.33906      -0.3259866     0.8935683 
1 1 1 27  5  6  o 27.59350  1.085667      775.0536       84.37438  810.3259       84.38953      -0.6411153     2.171335  
1 1 1 27  5  7  o 6.139312  0.4078476     39.94519       6.544217  35.91438       7.543093      0.3467000      0.8156953 
1 1 1 27  5  8  o 10.03947  0.4367026     106.6168       12.33076  97.07588       12.33335      0.4774675      0.8734052 
1 1 1 27  5  9  o 9.907875  0.4336504     99.81824       12.02672  99.03547       12.15999      0.4107781E-01  0.8673007 
1 1 1 27  5  10 o 10.21146  0.4438983     109.7057       12.69787  101.7529       12.80868      0.3925720      0.8877966 
1 1 1 27  5  11 f 2.901251  0.6271980     5.495716       5.743668  11.48018       5.847892      -0.7855325     1.254396  
1 1 1 27  5  12 o 3.909515  0.5612634     11.43991       6.054904  20.42352       6.065679      -1.147047      1.122527  
1 1 1 27  5  13 o 4.611815  0.4894166     25.46059       6.107230  18.61030       6.195899      0.7694869      0.9788332 
1 1 1 27  5  14 o 3.306693  0.6185129     13.53728       5.954238  10.42191       5.841969      0.4215376      1.237026  
1 1 1 27  5  15 o 3.002525  0.6300710     5.974333       5.978734  13.53762       6.011318      -0.9711206     1.260142  
1 1 1 27  5  16 o 3.065836  0.6180588     6.022416       5.948539  15.00887       5.964861      -1.159178      1.236118  
1 1 1 27  5  17 o 2.103610  0.5851318     8.323698       5.819290  -3.019545      5.863751      1.019657       1.170264  
1 1 1 27  5  18 o 4.209057  0.5547143     11.22667       6.443835  31.89011       6.497224      -2.408435      1.109429  
1 1 1 27  5  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  7  0  o 16.48039  0.6441473     270.6847       29.86242  280.1911       29.94934      -0.2886628     1.288295  
1 1 1 27  7  1  o 12.36242  0.5035440     145.6195       17.51796  162.7420       17.51594      -0.6956528     1.007088  
1 1 1 27  7  2  o 18.65847  0.7281709     343.1574       38.23739  365.1730       38.29626      -0.5915281     1.456342  
1 1 1 27  7  3  o 3.229094  0.5816171     11.73160       5.096306  9.858163       5.668357      0.2604558      1.163234  
1 1 1 27  7  4  o 6.466740  0.4228595     35.75161       7.145116  49.38354       8.102026      -1.053416      0.8457189 
1 1 1 27  7  5  o 22.05100  0.8739350     482.7659       54.23582  517.0334       54.29829      -0.7791638     1.747870  
1 1 1 27  7  6  o 7.521437  0.4031450     57.04223       8.787127  57.40395       8.262003      -0.2971567E-01 0.8062900 
1 1 1 27  7  7  o 9.946530  0.4395615     96.62400       12.37253  103.3770       12.22798      -0.3424715     0.8791230 
1 1 1 27  7  8  o 19.89947  0.7864687     410.0569       44.09557  407.5507       44.08327      0.6299344E-01  1.572937  
1 1 1 27  7  9  o 14.26116  0.5744966     212.0241       23.04636  203.3404       23.10089      0.3062652      1.148993  
1 1 1 27  7  10 o 2.718375  0.6205291     10.04577       5.567241  4.029911       5.747357      0.7510709      1.241058  
1 1 1 27  7  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  7  12 o 13.40572  0.5625898     183.7620       21.19727  188.9984       21.27114      -0.1942805     1.125180  
1 1 1 27  7  13 o 9.590009  0.4573210     78.22533       12.18583  112.1503       12.21154      -1.783017      0.9146420 
1 1 1 27  7  14 f 6.132333  0.4426378     35.86068       7.551445  42.55819       7.547317      -0.5541893     0.8852755 
1 1 1 27  7  15 o 6.514898  0.4423581     42.58249       8.048243  47.11823       8.036860      -0.3525749     0.8847163 
1 1 1 27  7  16 o 3.056775  0.6639243     11.74642       6.285723  10.43884       6.316853      0.1673711      1.327849  
1 1 1 27  7  17 o 3.208238  0.6232332     6.918884       6.248007  18.02055       6.287319      -1.391551      1.246466  
1 1 1 27  7  18 o 2.820233  0.6459327     5.300413       6.373464  15.51891       6.401646      -1.177948      1.291865  
1 1 1 27  7  19 o 1.982741  0.6177111     1.612346       6.936368  4.462788       6.636174      -0.1759737     1.235422  
1 1 1 27  9  0  o 7.842480  0.4083999     61.55099       8.904140  62.79211       9.089069      -0.7781871E-01 0.8167998 
1 1 1 27  9  1  o 34.85205  1.385963      1262.005       135.9923  1324.284       136.0907      -0.8949800     2.771926  
1 1 1 27  9  2  o 6.351918  0.4162425     39.30400       7.245336  42.56770       7.540211      -0.2555553     0.8324850 
1 1 1 27  9  3  o 9.793998  0.4372340     92.59631       11.96023  101.1576       12.12604      -0.4376667     0.8744680 
1 1 1 27  9  4  o 11.72953  0.4996862     138.9935       16.50005  139.6946       16.50133      -0.2998597E-01 0.9993724 
1 1 1 27  9  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  9  6  o 14.86397  0.5972492     219.9980       25.03015  230.0239       24.97271      -0.3391059     1.194498  
1 1 1 27  9  7  o 12.32716  0.5053243     151.1385       17.58337  157.4998       17.49801      -0.2599350     1.010649  
1 1 1 27  9  8  o 10.58558  0.4560087     106.9387       13.53211  120.3429       13.61691      -0.6352269     0.9120173 
1 1 1 27  9  9  o 8.692633  0.4363534     76.35708       10.49233  77.47015       10.83273      -0.5939450E-01 0.8727067 
1 1 1 27  9  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  9  11 o 15.43476  0.6352158     242.4705       27.54035  255.0991       27.66879      -0.4074034     1.270432  
1 1 1 27  9  12 o 4.156470  0.5729082     7.956499       6.627549  29.55765       6.853032      -2.499913      1.145816  
1 1 1 27  9  13 o 7.792659  0.4448150     55.38572       9.632447  70.66343       9.722399      -0.9874889     0.8896301 
1 1 1 27  9  14 o 3.380103  0.6163509     19.52776       6.575842  5.518160       6.361758      1.725896       1.232702  
1 1 1 27  9  15 o 3.340911  0.6627758     10.95705       6.653090  15.10166       6.525719      -0.5312193     1.325552  
1 1 1 27  9  16 o 3.574946  0.6587163     18.11213       6.733154  12.97365       6.903673      0.6583288      1.317433  
1 1 1 27  9  17 o 3.859440  0.6508304     16.43493       7.042109  21.59172       7.056855      -0.6337674     1.301661  
1 1 1 27  9  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  9  19 o 1.716218  0.5711350     -0.7672354     7.318413  -1.380905      6.947437      0.5963394E-01  1.142270  
1 1 1 27  11 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  11 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  11 2  o 8.222724  0.5313711     73.80276       11.86931  63.22107       12.55352      0.6613004      1.062742  
1 1 1 27  11 3  o 3.540025  0.6558015     14.16859       6.479984  12.09037       6.876894      0.2620986      1.311603  
1 1 1 27  11 4  o 2.900845  0.7580069     7.838571       9.861215  6.307858       7.043939      0.3996288      1.516014  
1 1 1 27  11 5  o 6.623043  0.4907775     34.13931       9.030526  55.12362       8.676263      -1.626101      0.9815550 
1 1 1 27  11 6  o 3.259627  0.6819257     1.998091       7.481534  18.12601       7.692446      -1.752236      1.363851  
1 1 1 27  11 7  o 5.242530  0.5287772     26.49593       7.661451  30.24149       7.551729      -0.3687761     1.057554  
1 1 1 27  11 8  o 15.81766  0.9494678     290.7402       42.03972  243.5193       41.89191      1.504305       1.898936  
1 1 1 27  11 9  o 2.311221  0.6917071     1.117171       7.653797  0.5659541      7.965239      -0.1011136E-02 1.383414  
1 1 1 27  11 10 o 4.305464  0.6052163     15.67078       6.868889  23.77313       7.356622      -0.9330354     1.210433  
1 1 1 27  11 11 o 5.843237  0.4965531     24.79420       7.474315  47.14604       8.116567      -1.938845      0.9931062 
1 1 1 27  11 12 o 4.429215  0.5994024     24.37111       7.095021  17.73178       7.444359      0.7788143      1.198805  
1 1 1 27  11 13 o 3.891676  0.6598212     14.32631       7.275890  19.72601       7.181992      -0.6616028     1.319642  
1 1 1 27  11 14 o 4.642996  0.5925447     17.49487       7.729496  30.21579       7.329516      -1.428186      1.185089  
1 1 1 27  11 15 o 2.148190  0.6457210     5.446432       7.146480  -1.224865      6.987142      0.5162399      1.291442  
1 1 1 27  11 16 o 2.087536  0.6293623     7.131685       6.996412  -3.358173      7.138259      0.7309666      1.258725  
1 1 1 27  11 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  11 18 o 2.040740  0.6060812     -8.671073      7.652228  12.69028       7.416790      -1.269232      1.212162  
1 1 1 27  11 19 o 1.794131  0.5926508     -4.490517      8.009837  6.671165       7.637825      -0.4908797     1.185302  
1 1 1 27  13 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  13 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  13 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  13 3  o 2.983804  0.7315889     11.42630       7.650467  4.491069       7.900383      0.6952929      1.463178  
1 1 1 27  13 4  o 6.385253  0.5774333     32.09400       10.43180  51.02564       9.573430      -1.551909      1.154867  
1 1 1 27  13 5  o 13.58901  0.5701831     167.8422       21.63446  210.1914       21.84461      -1.563998      1.140366  
1 1 1 27  13 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  13 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  13 8  f 7.821067  0.4732651     62.59019       10.57713  63.28397       10.17157      -0.5374785E-01 0.9465303 
1 1 1 27  13 9  o 2.716575  0.6762384     -3.528075      7.335732  14.26311       7.987196      -1.673218      1.352477  
1 1 1 27  13 10 o 2.852133  0.6914067     -0.1888958     7.203070  15.01387       8.017904      -1.549629      1.382813  
1 1 1 27  13 11 o 6.443398  0.4999900     35.27131       8.447631  52.61795       9.303954      -1.334069      0.9999801 
1 1 1 27  13 12 f 4.188907  0.6527500     13.26842       7.457542  26.19966       7.898344      -1.470427      1.305500  
1 1 1 27  13 13 o 3.152317  0.6975281     18.86008       7.916818  3.355079       7.552114      1.628243       1.395056  
1 1 1 27  13 14 o 3.326678  0.7007856     6.610356       7.969513  19.73491       7.570422      -1.432363      1.401571  
1 1 1 27  13 15 o 1.950764  0.6273187     -4.751167      7.804445  2.262623       7.670622      -0.3711515     1.254637  
1 1 1 27  13 16 o 2.089904  0.6525214     7.271941       7.914824  -3.363184      8.086881      0.6248347      1.305043  
1 1 1 27  13 17 o 4.390425  0.7016190     19.27835       8.897895  38.16619       8.983467      -1.984614      1.403238  
1 1 1 27  13 18 o 2.744456  0.7614596     14.49614       8.864728  17.02022       8.504231      -0.2495604     1.522919  
1 1 1 27  15 0  o 18.08554  0.7526046     347.6339       38.00993  334.7432       38.64293      0.3708971      1.505209  
1 1 1 27  15 1  o 4.775352  1.000706      35.23056       14.86490  9.792505       17.05694      1.870130       2.001412  
1 1 1 27  15 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  15 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  15 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  15 5  o 3.625227  0.7742196     8.047612       8.975245  19.16362       9.010244      -1.157943      1.548439  
1 1 1 27  15 6  o 5.214891  0.6587104     27.92030       9.730692  30.19740       9.039165      -0.2494173     1.317421  
1 1 1 27  15 7  f 9.019689  0.4968872     82.73035       12.47050  85.88780       12.68136      -0.1706061     0.9937745 
1 1 1 27  15 8  f 14.90487  0.6338570     235.0380       26.66278  237.0323       26.53358      -0.7169762E-01 1.267714  
1 1 1 27  15 9  o 9.503823  0.5246890     86.54908       13.86533  103.4235       14.05116      -0.8885882     1.049378  
1 1 1 27  15 10 o 9.329496  0.5159426     85.47440       12.96277  99.86613       14.05100      -0.7284446     1.031885  
1 1 1 27  15 11 o 5.173116  0.6454141     30.53119       8.531754  30.07377       9.833161      0.1427942      1.290828  
1 1 1 27  15 12 o 2.500509  0.7259909     3.815879       7.996776  5.911487       8.490953      -0.2025171     1.451982  
1 1 1 27  15 13 o 2.616515  0.6856553     -4.764469      8.243299  16.01469       8.304483      -1.628315      1.371311  
1 1 1 27  15 14 o 2.449086  0.7281225     5.428056       8.968537  6.174583       8.195565      -0.1455122E-01 1.456245  
1 1 1 27  15 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  15 16 o 2.167830  0.6933275     2.733900       9.080598  6.188077       9.175006      -0.1855193     1.386655  
1 1 1 27  15 17 f 4.290153  0.8041106     27.58894       10.45371  41.96363       10.29987      -1.479019      1.608221  
1 1 1 27  15 18 o 2.163951  0.7025380     9.513270       10.12353  13.82278       9.640243      -0.2183274     1.405076  
1 1 1 27  17 0  o 12.39265  0.6005007     171.2393       20.33180  147.8963       21.48090      0.9797137      1.201001  
1 1 1 27  17 1  o 12.89451  0.7135860     160.6037       21.25101  203.0474       33.14576      -1.254553      1.427172  
1 1 1 27  17 2  o 4.899465  0.7923201     24.63402       10.55629  28.59684       10.93287      -0.3808332     1.584640  
1 1 1 27  17 3  o 7.305801  0.6068520     54.85345       12.55865  57.80449       12.04833      -0.2231003     1.213704  
1 1 1 27  17 4  o 9.122187  0.5950654     82.88221       15.88834  91.62523       14.52844      -0.5310210     1.190131  
1 1 1 27  17 5  o 12.63705  0.5966446     175.7194       21.21288  161.3491       21.16664      0.5700891      1.193289  
1 1 1 27  17 6  o 2.607190  0.7724949     -2.014927      10.31720  6.227223       9.379929      -0.4461873     1.544990  
1 1 1 27  17 7  o 6.177441  0.6362764     37.82772       10.49106  45.49430       11.03781      -0.6053104     1.272553  
1 1 1 27  17 8  o 4.167516  0.7893455     22.90470       9.447664  17.72561       9.684786      0.5597145      1.578691  
1 1 1 27  17 9  o 5.540342  0.7074351     33.45737       10.45976  37.42257       10.88785      -0.3311083     1.414870  
1 1 1 27  17 10 o 7.140064  0.6307054     58.88520       11.18095  56.63314       14.27051      0.4231722      1.261411  
1 1 1 27  17 11 o 2.795518  0.7947669     5.464952       9.144075  11.30193       10.31380      -0.4915409     1.589534  
1 1 1 27  17 12 o 2.751585  0.7468215     16.60851       9.140438  -0.8045382     9.460539      1.295915       1.493643  
1 1 1 27  17 13 o 2.321971  0.7088543     -4.737326      9.257804  12.05122       9.605051      -0.9892967     1.417709  
1 1 1 27  17 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  17 15 o 2.275651  0.7164962     15.90001       10.34833  -3.131560      10.30514      0.9300736      1.432992  
1 1 1 27  17 16 o 1.783372  0.6087544     -17.51705      10.52923  10.68465       10.60138      -0.7999653     1.217509  
1 1 1 27  19 0  f 5.100053  0.8607265     39.77264       12.11725  18.19182       14.37386      1.955278       1.721453  
1 1 1 27  19 1  o 4.176770  0.9957697     14.24907       11.56030  30.84360       17.59928      -1.328609      1.991539  
1 1 1 27  19 2  o 2.914354  0.8885006     3.917620       13.46975  1.319373       13.18994      0.1611332      1.777001  
1 1 1 27  19 3  o 3.463260  0.8797894     21.69995       12.32302  3.055414       11.49839      1.472420       1.759579  
1 1 1 27  19 4  o 3.561762  0.8723957     1.052416       13.02297  22.98243       11.43751      -1.582932      1.744791  
1 1 1 27  19 5  o 6.299434  0.7204769     46.32011       12.45649  44.09730       12.33632      0.1719002      1.440954  
1 1 1 27  19 6  o 9.404864  0.5878406     86.74059       15.52988  106.3541       15.30781      -1.069178      1.175681  
1 1 1 27  19 7  o 3.050748  0.8576042     5.737695       11.29873  12.63377       11.17509      -0.4855742     1.715208  
1 1 1 27  19 8  o 2.611449  0.7904697     2.342575       9.983782  6.253675       10.90919      -0.3075677     1.580939  
1 1 1 27  19 9  o 5.522583  0.7895905     30.97849       11.25180  47.02964       12.58507      -1.297492      1.579181  
1 1 1 27  19 10 o 2.053538  0.6914963     -9.708073      10.38825  -2.889555      11.86041      -0.3707415     1.382993  
1 1 1 27  19 11 o 2.546932  0.7869026     8.528465       10.16418  3.358016       11.66242      0.2247964      1.573805  
1 1 1 27  19 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  19 13 o 3.225728  0.9146983     14.16799       13.06595  34.63678       14.04650      -1.174195      1.829397  
1 1 1 27  19 14 o 2.009032  0.6762406     -7.262484      11.06509  10.21579       11.09076      -0.5921940     1.352481  
1 1 1 27  21 0  o 4.009648  0.9383299     42.93270       16.61312  -5.027703      14.88217      3.016813       1.876660  
1 1 1 27  21 1  f 6.082833  0.8897836     28.37727       13.82276  66.63216       16.38355      -2.841216      1.779567  
1 1 1 27  21 2  o 2.721100  0.8596681     8.884123       13.83073  -9.659302      14.63463      0.7356333      1.719336  
1 1 1 27  21 3  o 2.554510  0.8202574     5.430547       13.62519  -8.113522      12.90219      0.6306732      1.640515  
1 1 1 27  21 4  o 6.946535  0.8207928     76.79809       16.95130  44.62872       13.97381      2.039378       1.641586  
1 1 1 27  21 5  o 2.286356  0.7645500     -7.792073      13.78429  -6.543610      12.39126      0.7538974E-01  1.529100  
1 1 1 27  21 6  o 5.936762  0.8450578     44.27092       14.19698  48.73502       13.30466      -0.4993348     1.690116  
1 1 1 27  21 7  o 2.858033  0.8643925     -0.1695747     12.95204  17.15128       13.35418      -0.9253297     1.728785  
1 1 1 27  21 8  o 3.017564  0.9095536     12.36998       14.51712  13.31874       12.94764      -0.4186006E-01 1.819107  
1 1 1 27  21 9  o 4.192666  0.8981175     39.47202       12.02047  17.75502       15.78824      2.017869       1.796235  
1 1 1 27  21 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  21 11 o 2.650817  0.8206086     25.51914       13.09061  -1.976579      14.02118      1.201048       1.641217  
1 1 1 27  21 12 o 3.339869  0.9495302     26.36178       12.85364  36.46320       14.75073      -0.3714615     1.899060  
1 1 1 27  23 0  o 3.650627  0.9576710     2.479744       14.75750  41.09969       16.49990      -2.241830      1.915342  
1 1 1 27  23 1  o 2.925177  0.9257677     -3.420966      15.55120  22.94072       18.10770      -1.102919      1.851535  
1 1 1 27  23 2  o 4.024068  1.069647      25.71992       16.08271  35.04339       17.17842      -0.5322508     2.139294  
1 1 1 27  23 3  o 3.800297  1.056418      31.73985       16.47524  23.32488       17.29913      0.5447991      2.112835  
1 1 1 27  23 4  o 4.351118  1.104479      38.93503       17.30938  37.55000       17.27476      0.9083571E-01  2.208958  
1 1 1 27  23 5  o 3.257249  0.9659699     12.72269       16.29693  25.93226       14.92499      -0.7179884     1.931940  
1 1 1 27  23 6  o 4.008223  1.054435      48.50547       17.44279  24.38040       16.36174      1.404361       2.108869  
1 1 1 27  23 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  23 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  23 9  o 2.135278  0.7458852     -5.348521      13.92075  4.048778       19.06036      -0.3198186     1.491770  
1 1 1 27  25 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  25 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  25 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 27  25 3  o 2.684387  0.9157447     16.10765       19.70823  17.07237       22.15085      -0.3743784E-02 1.831489  
1 1 1 27  25 4  o 2.238976  0.7915607     -5.787952      20.07695  -4.492431      21.64493      -0.5152135E-01 1.583121  
1 1 1 27  25 5  o 2.835970  0.9360163     17.42277       19.55388  36.07003       18.56927      -0.5980523     1.872033  
1 1 1 28  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  6  o 21.02593  1.713094      461.1013       70.90241  461.1013       70.90241      ?              ?         
1 1 1 28  0  7  o 1.129711  0.7725581     -3.487940      5.500369  -3.487940      5.500369      ?              ?         
1 1 1 28  0  8  o 14.67066  0.8368815     218.8710       24.37093  218.8710       24.37093      ?              ?         
1 1 1 28  0  9  o 1.386827  0.8668827     1.143026       4.932134  1.143026       4.932134      ?              ?         
1 1 1 28  0  10 o 7.346980  0.5535069     55.12487       8.024503  55.12487       8.024503      ?              ?         
1 1 1 28  0  11 o 1.185512  0.8031861     -2.805502      5.661323  -2.805502      5.661323      ?              ?         
1 1 1 28  0  12 o 2.222479  1.099579      7.460971       5.874177  7.460971       5.874177      ?              ?         
1 1 1 28  0  13 o 0.8081071 0.5894188     -13.04973      5.664391  -13.04973      5.664391      ?              ?         
1 1 1 28  0  14 f 1.643002  0.9749151     3.243000       5.565637  3.243000       5.565637      ?              ?         
1 1 1 28  0  15 o 2.457066  1.117478      9.257970       5.944222  9.257970       5.944222      ?              ?         
1 1 1 28  0  16 o 1.219496  0.8247358     -2.274312      5.916584  -2.274312      5.916584      ?              ?         
1 1 1 28  0  17 o 4.379622  0.8157377     22.16619       6.418026  22.16619       6.418026      ?              ?         
1 1 1 28  0  18 o 1.328377  0.8727391     0.2126385      5.847360  0.2126385      5.847360      ?              ?         
1 1 1 28  0  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  0  20 o 1.123958  0.7862191     -3.734564      6.563861  -3.734564      6.563861      ?              ?         
1 1 1 28  2  0  o 13.78286  0.5498930     197.3951       21.34804  186.3842       21.33962      0.4008351      1.099786  
1 1 1 28  2  1  o 27.86595  1.089480      805.7809       85.54350  797.8569       85.52483      0.1424267      2.178960  
1 1 1 28  2  2  o 21.69014  0.8501761     478.9943       51.96126  482.0909       51.94495      -0.7175168E-01 1.700352  
1 1 1 28  2  3  o 22.11046  0.8626406     474.9665       53.63142  523.8526       53.76820      -1.108611      1.725281  
1 1 1 28  2  4  o 17.53928  0.6893404     308.8589       34.05196  316.3848       34.06942      -0.2150880     1.378681  
1 1 1 28  2  5  o 21.78181  0.8559690     486.0150       52.49128  486.7072       52.56340      -0.1518656E-01 1.711938  
1 1 1 28  2  6  o 8.621412  0.5254655     64.09844       11.69645  87.88975       13.66604      -1.368411      1.050931  
1 1 1 28  2  7  o 5.119186  0.6521196     19.38250       8.757275  34.94505       9.366764      -1.541950      1.304239  
1 1 1 28  2  8  o 9.442940  0.6018642     85.14587       15.86421  96.89771       15.89386      -0.6283354     1.203728  
1 1 1 28  2  9  o 10.85002  0.6646592     107.2792       20.12541  134.0119       20.11353      -1.246608      1.329318  
1 1 1 28  2  10 o 2.594359  0.6882322     -0.8151774     7.237064  9.817698       7.519279      -1.017315      1.376464  
1 1 1 28  2  11 o 7.406454  1.296127      ?              ?         59.57711       18.50043      ?              ?         
1 1 1 28  2  12 o 9.627007  0.6632715     75.82278       17.65710  117.9565       17.32624      -2.238290      1.326543  
1 1 1 28  2  13 o 2.786168  0.7411224     6.214253       8.338137  6.911227       7.580450      -0.1307273E-02 1.482245  
1 1 1 28  2  14 o 6.640668  0.6024362     42.54264       11.52352  51.09266       10.56939      -0.7054200     1.204872  
1 1 1 28  2  15 o 5.397511  0.6067838     33.98561       10.69474  31.12997       7.886548      0.8966369E-01  1.213568  
1 1 1 28  2  16 o 1.695738  0.5545654     -9.690471      7.155661  -0.5136322     5.943710      -0.2963602     1.109131  
1 1 1 28  2  17 o 8.539381  0.4499077     79.98804       10.84117  79.46339       10.73656      0.2311932E-01  0.8998154 
1 1 1 28  2  18 o 2.841659  0.5963498     2.033979       5.985367  17.35228       6.149386      -1.775112      1.192700  
1 1 1 28  2  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  2  20 o 4.016356  0.6326073     19.06486       7.329033  28.00437       7.014263      -1.148760      1.265215  
1 1 1 28  4  0  o 20.14828  0.7673259     383.3214       43.41457  442.2592       43.59832      -1.467342      1.534652  
1 1 1 28  4  1  o 15.07568  0.6011353     225.0402       25.50705  235.1152       25.54155      -0.3350480     1.202271  
1 1 1 28  4  2  o 24.75533  0.9751647     622.2442       68.00074  638.3232       68.00992      -0.3257200     1.950329  
1 1 1 28  4  3  o 24.07264  0.9129259     606.6705       61.92452  582.3020       61.91911      0.5076779      1.825852  
1 1 1 28  4  4  o 10.22507  0.4397411     103.1433       12.74497  107.7943       12.56745      -0.2297414     0.8794822 
1 1 1 28  4  5  o 7.508425  0.3896695     53.65379       8.065676  60.22808       8.358143      -0.4377025     0.7793390 
1 1 1 28  4  6  o 19.43349  0.7519135     384.1648       41.22851  388.4773       41.11528      -0.1125282     1.503827  
1 1 1 28  4  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  4  8  o 9.507997  0.4221867     93.09408       11.25593  89.80493       11.33442      0.1745031      0.8443733 
1 1 1 28  4  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  4  10 o 6.329977  0.4052030     36.66971       7.072113  44.73442       7.237934      -0.6415080     0.8104060 
1 1 1 28  4  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  4  12 o 6.422031  0.4321725     34.38050       7.619559  50.11634       7.713866      -1.242685      0.8643451 
1 1 1 28  4  13 o 2.216012  0.6100225     6.766418       5.931110  -0.9246256     5.805699      0.7746863      1.220045  
1 1 1 28  4  14 o 6.718113  0.4290335     41.45560       7.973813  52.16476       8.089168      -0.8028827     0.8580669 
1 1 1 28  4  15 o 5.421962  0.5042410     25.85930       6.976688  37.61065       8.030609      -1.047829      1.008482  
1 1 1 28  4  16 o 3.191598  0.7788120     10.13918       9.674214  13.61209       7.908118      -0.3227256     1.557624  
1 1 1 28  4  17 o 5.524262  0.7007836     27.88353       11.32045  46.55414       10.01712      -1.879687      1.401567  
1 1 1 28  4  18 o 2.399875  0.7175600     2.902038       9.780989  7.716300       7.619852      -0.2248497     1.435120  
1 1 1 28  4  19 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  6  0  o 12.95542  0.5234487     168.8694       19.03382  170.5501       19.16876      -0.6405932E-01 1.046897  
1 1 1 28  6  1  o 15.73773  0.6617429     237.5656       31.60097  262.6128       27.41677      -0.8387405     1.323486  
1 1 1 28  6  2  o 11.12692  0.4758515     120.6426       14.88295  129.3631       14.91634      -0.3932748     0.9517030 
1 1 1 28  6  3  o 19.73274  0.7707413     386.4723       42.76967  408.6400       42.90678      -0.5622697     1.541483  
1 1 1 28  6  4  f 17.26157  0.6762099     303.0963       32.91993  303.6396       32.85134      -0.1644467E-01 1.352420  
1 1 1 28  6  5  o 14.15146  0.5790486     193.0110       23.04507  213.1659       23.07702      -0.7149076     1.158097  
1 1 1 28  6  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  6  7  o 23.32041  0.9161484     564.3867       60.20853  566.7695       60.17454      -0.5177840E-01 1.832297  
1 1 1 28  6  8  o 3.246196  0.6854371     15.94223       7.301303  4.858969       7.139639      1.282481       1.370874  
1 1 1 28  6  9  o 17.66344  0.6929170     313.2940       34.44891  330.0505       34.49847      -0.4751646     1.385834  
1 1 1 28  6  10 o 7.432982  0.4219019     54.75612       8.724046  57.82517       8.863271      -0.2056074     0.8438038 
1 1 1 28  6  11 o 8.157624  0.4264570     61.34360       9.546108  74.51313       9.950719      -0.8057217     0.8529140 
1 1 1 28  6  12 o 2.472578  0.6499746     6.050306       6.076774  4.228462       6.098287      0.1980228      1.299949  
1 1 1 28  6  13 o 6.278713  0.4421946     36.47688       7.709143  45.09067       7.728819      -0.6954755     0.8843893 
1 1 1 28  6  14 o 2.170758  0.6242096     0.9710749      6.101323  4.199781       6.044604      -0.2914509     1.248419  
1 1 1 28  6  15 o 2.110749  0.5958999     -4.212141      6.141789  7.638424       6.121209      -1.012723      1.191800  
1 1 1 28  6  16 o 4.716800  0.5322029     25.64071       6.874532  24.48097       6.845906      0.1232728      1.064406  
1 1 1 28  6  17 o 3.714218  0.6344195     14.98233       6.667023  19.21737       6.593866      -0.5470855     1.268839  
1 1 1 28  6  18 o 1.878797  0.6117174     -0.2851132     7.592503  -1.391641      7.419528      0.7510019E-01  1.223435  
1 1 1 28  6  19 o 2.088186  0.6306638     3.320752       6.675498  6.503634       6.613899      -0.2435424     1.261328  
1 1 1 28  8  0  o 7.646517  0.4117078     60.08838       8.661465  58.07261       9.021839      0.1362817      0.8234156 
1 1 1 28  8  1  o 3.641117  0.6282681     16.12211       6.512168  11.55999       6.383965      0.5897614      1.256536  
1 1 1 28  8  2  o 2.933695  0.6554972     6.167204       6.029817  10.93454       6.340437      -0.6178941     1.310994  
1 1 1 28  8  3  o 11.88541  0.4890809     134.5178       16.21133  151.1725       16.49946      -0.7011188     0.9781619 
1 1 1 28  8  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  8  5  f 6.336226  0.4533001     33.86095       7.964613  47.44340       7.909793      -1.092184      0.9066002 
1 1 1 28  8  6  o 11.41321  0.5029994     118.4564       16.16381  145.4872       16.05297      -1.193120      1.005999  
1 1 1 28  8  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  8  8  o 20.11699  0.7540765     378.4876       42.47915  459.5817       42.79992      -2.019284      1.508153  
1 1 1 28  8  9  o 4.444072  0.5491565     17.89986       6.568718  23.20367       6.701297      -0.6077295     1.098313  
1 1 1 28  8  10 o 16.62725  1.028057      360.2163       66.48347  277.1976       38.40726      1.460699       2.056114  
1 1 1 28  8  11 o 11.76198  0.5146189     130.9278       16.85037  154.3527       17.16051      -0.9942476     1.029238  
1 1 1 28  8  12 o 4.312219  0.5869164     19.60817       6.796979  20.55053       7.002554      -0.1016972     1.173833  
1 1 1 28  8  13 o 8.602798  0.4532134     82.68912       10.85195  71.22826       11.00855      0.6769851      0.9064268 
1 1 1 28  8  14 o 4.703006  0.5591714     24.59814       7.271250  24.03519       7.080977      0.4889305E-01  1.118343  
1 1 1 28  8  15 o 1.910459  0.5729156     6.534982       6.591278  -9.456000      6.428773      1.092349       1.145831  
1 1 1 28  8  16 f 6.077786  0.4889450     42.85536       8.280313  39.65694       8.219104      0.2616430      0.9778900 
1 1 1 28  8  17 o 1.599003  0.5385963     -5.077482      6.693129  -5.678827      6.744381      0.2000453E-01  1.077193  
1 1 1 28  8  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  10 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  10 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  10 2  o 14.21617  0.5966001     207.5426       23.80588  204.0196       23.95538      0.1259996      1.193200  
1 1 1 28  10 3  o 21.13568  0.8179746     459.6176       48.67417  462.5084       48.75086      -0.6752193E-01 1.635949  
1 1 1 28  10 4  o 17.31032  0.7988151     274.4913       38.63354  343.8941       38.87485      -2.015027      1.597630  
1 1 1 28  10 5  o 7.192557  0.6222129     50.87255       14.58678  54.85904       10.95078      -0.3613256     1.244426  
1 1 1 28  10 6  o 7.055326  0.4568001     47.56748       9.088186  53.64196       8.919963      -0.4379517     0.9136002 
1 1 1 28  10 7  f 13.66401  0.5573439     191.0463       21.55961  190.9381       21.33928      0.7329056E-03  1.114688  
1 1 1 28  10 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  10 9  o 3.768074  0.6720706     16.26496       7.079270  14.25548       7.275269      0.2493792      1.344141  
1 1 1 28  10 10 o 9.301368  0.4651261     80.41296       11.90977  97.39348       12.35124      -0.9093079     0.9302522 
1 1 1 28  10 11 o 2.566988  0.6649125     10.03612       6.654150  -0.4007493     7.146924      0.9661531      1.329825  
1 1 1 28  10 12 o 9.248180  0.4644957     77.96275       11.81855  100.3719       12.22279      -1.207361      0.9289913 
1 1 1 28  10 13 o 2.455230  0.6785926     2.239246       7.017755  7.161717       6.910725      -0.4488297     1.357185  
1 1 1 28  10 14 o 3.960415  0.6611451     23.35872       7.598608  13.01112       7.272450      1.211335       1.322290  
1 1 1 28  10 15 o 2.409829  0.6774217     4.864801       6.990591  5.958366       6.841799      -0.9013484E-01 1.354843  
1 1 1 28  10 16 o 1.975239  0.6169894     -4.004035      7.052322  4.955069       7.174986      -0.5868596     1.233979  
1 1 1 28  10 17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  10 18 o 1.721910  0.5749838     -1.624314      7.332895  -2.257338      7.348690      0.2738698E-01  1.149968  
1 1 1 28  12 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  12 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  12 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  12 3  o 7.121920  0.5095469     64.75569       9.724008  38.95172       10.00849      1.854538       1.019094  
1 1 1 28  12 4  o 13.66977  0.6985341     204.7122       22.95486  175.4440       32.37429      1.262953       1.397068  
1 1 1 28  12 5  o 5.791324  0.5872855     33.56530       9.603307  36.08677       9.097623      -0.2363105     1.174571  
1 1 1 28  12 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  12 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  12 8  o 6.338765  0.5389450     31.54055       9.256106  51.69529       9.271634      -1.632684      1.077890  
1 1 1 28  12 9  o 2.285979  0.6887757     0.1300514      7.428287  1.468880       8.279967      -0.2076974     1.377551  
1 1 1 28  12 10 o 2.423224  0.6582792     -7.011950      7.304690  11.56280       8.090992      -1.541832      1.316558  
1 1 1 28  12 11 o 5.557312  0.5545615     26.11562       7.955896  40.10291       8.817623      -1.250122      1.109123  
1 1 1 28  12 12 o 4.714229  0.6087277     16.41590       7.562523  32.77069       8.050130      -1.734647      1.217455  
1 1 1 28  12 13 o 3.400381  0.7245423     9.410327       7.742333  17.87903       7.841213      -0.9545240     1.449085  
1 1 1 28  12 14 o 2.451798  0.7044379     6.623512       7.941569  4.031396       7.407213      0.2529095      1.408876  
1 1 1 28  12 15 f 2.108677  0.6663942     2.531911       8.739006  -0.3902242     7.604730      0.2752613      1.332788  
1 1 1 28  12 16 o 2.946253  0.6903937     2.128411       7.887985  21.29498       8.069922      -1.787987      1.380787  
1 1 1 28  12 17 o 2.191726  0.6775125     3.368871       7.948199  7.538116       8.102842      -0.2758085     1.355025  
1 1 1 28  12 18 o 1.633905  0.5610377     -0.2352146     8.280624  -7.755596      8.145762      0.2651489      1.122075  
1 1 1 28  14 0  o 26.99200  1.095717      753.2758       83.03597  827.8012       83.44012      -1.375021      2.191434  
1 1 1 28  14 1  o 16.00720  0.6653076     270.9575       29.79858  258.7579       30.17081      0.3894317      1.330615  
1 1 1 28  14 2  o 10.78890  1.205411      89.99030       35.44236  168.0155       34.39398      -3.771272      2.410822  
1 1 1 28  14 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  14 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  14 5  o 12.74198  0.5775074     152.3783       20.68664  182.6386       20.62242      -1.196534      1.155015  
1 1 1 28  14 6  o 7.497936  0.5265437     67.05642       11.25703  49.42661       10.64372      1.176757       1.053087  
1 1 1 28  14 7  o 15.25447  0.6907476     228.0373       31.75814  262.1825       27.73101      -1.257635      1.381495  
1 1 1 28  14 8  o 3.449007  0.7965389     13.45043       8.949306  12.21630       8.934177      0.1283384      1.593078  
1 1 1 28  14 9  o 6.538345  0.6021358     48.07017       10.27750  43.16547       11.54085      0.4447164      1.204272  
1 1 1 28  14 10 o 3.374188  0.7629994     7.373156       8.023051  18.51913       9.119987      -1.182549      1.525999  
1 1 1 28  14 11 o 4.951977  0.6557927     37.09628       8.444674  17.32694       9.667900      2.066922       1.311585  
1 1 1 28  14 12 o 2.896956  0.6875861     17.11615       7.710277  -1.989574      8.412632      1.683959       1.375172  
1 1 1 28  14 13 o 2.897686  0.7153425     0.5816098      8.334438  17.68085       8.311416      -1.531184      1.430685  
1 1 1 28  14 14 o 2.421843  0.7166528     9.791855       8.723730  1.177171       8.316078      0.6376448      1.433306  
1 1 1 28  14 15 o 2.571836  0.7473137     5.417613       9.211540  11.64455       8.655242      -0.4482287     1.494627  
1 1 1 28  14 16 o 5.556479  0.8334443     41.97193       12.73239  58.43367       12.89723      -1.422238      1.666889  
1 1 1 28  14 17 o 3.535593  0.8228410     27.04537       9.414034  24.03246       9.803201      0.3838017      1.645682  
1 1 1 28  16 0  o 3.526079  0.8671878     5.274953       10.68573  19.12248       11.58124      -1.225231      1.734376  
1 1 1 28  16 1  o 7.446830  0.6473643     66.36411       12.27832  48.44613       14.31468      1.310922       1.294729  
1 1 1 28  16 2  o 12.09162  0.5890135     160.0103       19.98927  144.1746       20.01702      0.6595322      1.178027  
1 1 1 28  16 3  o 3.279333  0.7663172     23.33886       10.92700  -8.761435      10.38240      2.447340       1.532634  
1 1 1 28  16 4  o 10.92103  0.6752201     127.8483       17.96956  124.8267       24.98549      0.3908979      1.350440  
1 1 1 28  16 5  o 7.397650  0.5958086     47.82138       12.03854  67.47195       12.19625      -1.351633      1.191617  
1 1 1 28  16 6  o 11.50038  0.5707864     124.4154       18.65627  153.6672       18.11134      -1.302019      1.141573  
1 1 1 28  16 7  o 6.705848  0.6330180     54.33668       12.24363  43.47737       11.12957      0.7695407      1.266036  
1 1 1 28  16 8  f 5.077438  0.7323061     43.78339       10.11651  13.71689       11.73725      2.828883       1.464612  
1 1 1 28  16 9  o 2.503088  0.7584069     7.643859       9.715561  -6.678976      10.80673      0.7236816      1.516814  
1 1 1 28  16 10 o 6.922215  0.6339981     55.88807       10.92600  51.75169       13.76947      0.5391837      1.267996  
1 1 1 28  16 11 o 2.512575  0.7501062     6.856695       8.564027  0.5006145      10.24222      0.2903338      1.500212  
1 1 1 28  16 12 o 1.687387  0.5725132     -23.10230      8.748714  -0.3738765     9.437410      -0.8138434     1.145026  
1 1 1 28  16 13 f 3.571292  0.6624761     -3.455451      9.268501  34.54407       9.479157      -3.216636      1.324952  
1 1 1 28  16 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  16 15 o 2.737162  0.7990465     13.35271       10.31537  14.57520       9.808535      -0.1073975     1.598093  
1 1 1 28  16 16 o 3.350813  0.8552611     19.76793       11.10909  34.39680       11.07138      -1.180870      1.710522  
1 1 1 28  18 0  f 5.083923  0.9046332     27.16416       11.91023  34.33937       14.29747      -0.5510719     1.809266  
1 1 1 28  18 1  o 3.336967  0.9111795     13.12513       11.55308  5.840604       13.44272      0.4024599      1.822359  
1 1 1 28  18 2  o 2.714555  0.8311639     2.899685       11.77751  -0.6126111     11.79029      0.1940537      1.662328  
1 1 1 28  18 3  f 5.322021  0.8102354     49.29986       12.94274  16.29848       11.96540      2.876218       1.620471  
1 1 1 28  18 4  o 3.306155  0.9268224     1.930790       11.94651  19.16961       15.42720      -1.298657      1.853645  
1 1 1 28  18 5  o 5.911033  0.7688346     44.62612       12.49352  35.23821       12.22828      0.7920858      1.537669  
1 1 1 28  18 6  o 9.805138  0.5911500     110.4157       16.75680  99.56246       15.73347      0.5009302      1.182300  
1 1 1 28  18 7  o 3.341591  0.8805566     4.637943       12.62165  18.37388       11.19268      -0.9643914     1.761113  
1 1 1 28  18 8  o 4.182566  0.8554429     28.77063       10.56622  13.84898       12.91017      1.422865       1.710886  
1 1 1 28  18 9  o 2.078637  0.6915138     -13.86141      10.56891  0.1659051      11.11837      -0.5862691     1.383028  
1 1 1 28  18 10 o 3.764415  0.8779016     13.98381       10.46951  27.70656       11.91887      -1.155659      1.755803  
1 1 1 28  18 11 o 4.077523  0.8816729     25.15437       10.25577  25.93387       12.37226      0.1617795      1.763346  
1 1 1 28  18 12 o 3.615502  0.8963851     22.62864       10.72337  22.72739       12.12156      0.1290710      1.792770  
1 1 1 28  18 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  18 14 o 2.504336  0.7650163     21.66848       11.08904  1.959404       10.89343      1.046013       1.530033  
1 1 1 28  20 0  o 3.377929  0.9582254     15.30294       12.96236  5.918078       15.99158      0.4398330      1.916451  
1 1 1 28  20 1  o 2.801925  0.8682950     -7.619838      13.10095  11.87308       15.04330      -1.057236      1.736590  
1 1 1 28  20 2  f 8.573690  0.7469276     94.20351       17.20920  75.25218       18.05871      1.204061       1.493855  
1 1 1 28  20 3  f 3.245980  0.9356613     12.88069       14.04556  8.535284       13.11992      0.3061553      1.871323  
1 1 1 28  20 4  o 3.501935  0.9635964     2.289823       15.18878  25.23672       14.83833      -1.369797      1.927193  
1 1 1 28  20 5  o 6.855480  0.7957775     46.56004       15.20235  67.37500       14.47720      -1.647222      1.591555  
1 1 1 28  20 6  o 3.477884  0.9304972     15.65612       13.11658  16.86864       12.07661      -0.9473530E-01 1.860994  
1 1 1 28  20 7  o 2.838328  0.8762088     13.76859       14.50854  1.098475       12.73032      0.7069710      1.752418  
1 1 1 28  20 8  o 4.153618  0.9453034     29.83128       12.50046  24.14493       13.00377      0.5409488      1.890607  
1 1 1 28  20 9  o 4.723382  0.8561161     17.93674       11.72595  51.53321       13.46273      -2.721835      1.712232  
1 1 1 28  20 10 o 2.709627  0.8514025     10.83655       12.25661  9.163908       14.09913      0.5796545E-01  1.702805  
1 1 1 28  20 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  20 12 o 2.851603  0.8681661     24.29204       12.41966  13.30999       14.30747      0.6533850      1.736332  
1 1 1 28  22 0  o 3.020880  0.9346818     12.22548       14.68905  6.118220       15.98278      0.2458230      1.869364  
1 1 1 28  22 1  o 5.858460  1.048640      56.27124       16.70287  49.54797       18.74066      0.8288221      2.097280  
1 1 1 28  22 2  o 4.730025  1.101970      46.95752       17.07478  30.37078       19.18464      1.340655       2.203940  
1 1 1 28  22 3  o 8.387338  0.8370159     105.1511       19.55998  83.44958       18.82753      1.214305       1.674032  
1 1 1 28  22 4  o 4.982409  1.130075      51.76478       18.93122  40.69654       17.29659      0.5882763      2.260151  
1 1 1 28  22 5  o 3.806233  0.9986107     16.20343       16.44350  35.24088       14.73370      -1.314310      1.997221  
1 1 1 28  22 6  o 2.656786  0.8597564     0.4406270      15.74026  11.13954       13.95333      -0.3555612     1.719513  
1 1 1 28  22 7  o 3.980845  1.039896      22.96786       19.60944  46.09769       16.07915      -1.645650      2.079793  
1 1 1 28  22 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  22 9  o 2.675194  0.8657074     11.97561       13.53616  17.81092       16.03416      -0.1916695     1.731415  
1 1 1 28  24 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  24 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  24 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  24 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  24 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 28  24 5  o 2.674770  0.8981910     23.86176       19.66610  9.503886       17.22823      0.3734923      1.796382  
1 1 1 28  24 6  o 2.487390  0.8421876     33.93198       19.35998  -6.266943      17.17839      0.9881138      1.684375  
1 1 1 29  1  0  o 25.87268  1.488104      788.4872       107.6663  634.0626       107.4255      3.011721       2.976207  
1 1 1 29  1  1  f 14.04946  0.9417027     200.6722       26.30800  ?              ?             ?              ?         
1 1 1 29  1  2  o 25.07751  1.407998      616.6976       98.67646  715.2929       99.05826      -1.976891      2.815995  
1 1 1 29  1  3  o 3.064236  0.7541425     3.297418       8.400423  12.75366       8.380653      -0.9224189     1.508285  
1 1 1 29  1  4  o 30.99729  1.852910      944.1496       160.0057  1186.269       160.3693      -3.942700      3.705820  
1 1 1 29  1  5  o 6.793586  0.5579867     38.73477       10.52706  54.86320       10.30101      -1.219665      1.115973  
1 1 1 29  1  6  o 7.150467  0.8895577     53.96469       17.54703  54.13949       17.13051      -0.2167884E-01 1.779115  
1 1 1 29  1  7  o 3.240161  0.7314172     17.81927       8.526797  -0.5771018     8.925889      1.707183       1.462834  
1 1 1 29  1  8  o 3.086166  0.7556548     9.609966       8.117917  8.236134       7.971545      0.1536294      1.511310  
1 1 1 29  1  9  o 11.44422  0.7011610     122.1485       22.42818  147.8301       22.38674      -1.135356      1.402322  
1 1 1 29  1  10 o 2.701864  0.7338652     5.005826       7.893667  5.612073       7.870755      -0.5337524E-01 1.467730  
1 1 1 29  1  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  1  12 o 2.447034  0.6508794     4.117487       6.088415  5.565756       6.175328      -0.1652298     1.301759  
1 1 1 29  1  13 o 2.395385  0.6446452     4.224357       6.118068  4.972104       5.980541      -0.6519227E-01 1.289290  
1 1 1 29  1  14 o 2.101707  0.6070436     3.797272       5.741848  0.5773678      5.818403      0.2914119      1.214087  
1 1 1 29  1  15 o 3.134648  0.6421583     8.974400       6.130198  13.18607       6.073176      -0.5523382     1.284317  
1 1 1 29  1  16 o 7.684865  0.4485456     62.62925       9.625091  64.74748       9.698634      -0.1341803     0.8970913 
1 1 1 29  1  17 o 2.881682  0.6686020     12.16928       6.406917  8.614992       6.298941      0.4304124      1.337204  
1 1 1 29  1  18 o 1.863270  0.5839231     3.323869       6.224173  -1.666411      6.228213      0.3447992      1.167846  
1 1 1 29  1  19 o 4.183532  0.6270387     26.96668       7.199007  20.84470       7.246147      0.7369209      1.254077  
1 1 1 29  3  0  f 17.04623  0.6670297     283.9131       31.99126  305.8974       32.04935      -0.6467354     1.334059  
1 1 1 29  3  1  o 27.50646  1.086634      789.6333       84.21374  779.3780       84.19122      0.1867425      2.173268  
1 1 1 29  3  2  o 15.29191  0.6134301     238.8292       26.44939  235.5128       26.39618      0.1083542      1.226860  
1 1 1 29  3  3  o 21.69467  0.8492669     466.2502       51.81583  498.1730       51.96370      -0.7368013     1.698534  
1 1 1 29  3  4  o 26.80848  1.061232      731.5143       80.12034  762.7343       80.14745      -0.5839060     2.122464  
1 1 1 29  3  5  o 3.410889  0.5787385     14.59136       5.441952  9.183911       5.817633      0.7415344      1.157477  
1 1 1 29  3  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  3  7  o 5.701378  0.4555970     33.57693       7.509276  32.88534       6.958624      0.5174222E-01  0.9111941 
1 1 1 29  3  8  o 11.18701  0.4757394     126.7749       15.01395  127.2481       14.95335      -0.2190327E-01 0.9514789 
1 1 1 29  3  9  o 13.05310  0.5389560     177.1695       19.83205  170.4642       19.78542      0.2571560      1.077912  
1 1 1 29  3  10 o 2.484931  0.6302246     2.108083       5.736187  8.330614       5.982280      -0.7354206     1.260449  
1 1 1 29  3  11 o 4.002052  0.6908896     23.00296       7.732941  9.515676       8.913311      1.483404       1.381779  
1 1 1 29  3  12 o 9.810792  0.6769703     82.02237       18.36882  121.1994       18.19284      -2.038394      1.353941  
1 1 1 29  3  13 o 6.056193  0.6741967     29.25848       11.70887  48.77586       10.47678      -1.727062      1.348393  
1 1 1 29  3  14 o 3.865935  0.7734522     15.47055       9.603921  18.64250       8.373148      -0.3675528     1.546904  
1 1 1 29  3  15 o 2.504842  0.7040815     -4.870987      9.253561  10.10865       7.666428      -0.9465160     1.408163  
1 1 1 29  3  16 o 6.859991  0.6636333     67.75928       13.28498  43.16935       11.53311      1.664369       1.327267  
1 1 1 29  3  17 o 3.212392  0.7997379     21.45510       10.50492  8.909199       8.270266      1.102285       1.599476  
1 1 1 29  3  18 o 1.887935  0.6305947     -14.54675      10.80809  1.855768       8.205935      -0.3701324     1.261189  
1 1 1 29  3  19 o 2.076050  0.6767656     7.688662       10.81100  0.7801751E-01  8.008769      0.4807625      1.353531  
1 1 1 29  5  0  f 7.684121  0.4182099     61.75259       8.874205  57.43483       9.163102      0.2858510      0.8364198 
1 1 1 29  5  1  o 14.97421  0.5935491     212.1752       24.92719  242.0155       25.08968      -0.9994206     1.187098  
1 1 1 29  5  2  f 30.30634  1.210481      920.3929       103.2141  1006.328       103.3309      -1.421844      2.420961  
1 1 1 29  5  3  o 6.922572  0.4319121     53.83488       8.206351  42.75541       8.470452      0.8140594      0.8638242 
1 1 1 29  5  4  o 5.992488  0.4324333     35.00060       7.362007  37.84691       7.089394      -0.2445088     0.8648666 
1 1 1 29  5  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  5  6  o 12.90841  0.5453078     165.9664       19.85556  172.5445       19.77630      -0.2566274     1.090616  
1 1 1 29  5  7  o 6.455215  0.4449250     36.31167       8.113284  47.94181       7.830368      -0.9206766     0.8898499 
1 1 1 29  5  8  o 6.272335  0.6230761     43.57000       10.20384  37.28045       11.34898      0.5433918      1.246152  
1 1 1 29  5  9  o 5.489654  0.4597011     31.54102       6.960953  30.33530       7.035713      0.1132007      0.9194021 
1 1 1 29  5  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  5  11 o 8.686297  0.4357036     67.31929       10.45898  86.95266       10.71790      -1.134092      0.8714072 
1 1 1 29  5  12 o 3.668844  0.6025385     22.67814       6.648745  5.390538       6.864966      2.061003       1.205077  
1 1 1 29  5  13 o 4.962410  0.5255190     18.78911       6.974924  33.21316       7.059027      -1.498541      1.051038  
1 1 1 29  5  14 o 7.794094  0.4418806     54.63320       9.550987  72.57602       9.647374      -1.159603      0.8837613 
1 1 1 29  5  15 o 2.027721  0.6121056     2.590573       6.325130  -0.1876118     6.163590      0.2431270      1.224211  
1 1 1 29  5  16 o 2.557632  0.6688307     4.118950       6.572295  9.988214       6.630025      -0.6134346     1.337661  
1 1 1 29  5  17 o 1.889981  0.5642140     8.178963       6.575273  -10.08176      6.482622      1.187433       1.128428  
1 1 1 29  5  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  5  19 o 2.211273  0.6272885     13.23312       6.939968  -0.5268198     6.783343      1.101888       1.254577  
1 1 1 29  7  0  o 12.27753  0.5163963     151.2568       17.76492  154.1052       17.93789      -0.1148800     1.032793  
1 1 1 29  7  1  o 9.539742  0.4468993     94.92890       12.00922  89.05817       11.96296      0.3087957      0.8937985 
1 1 1 29  7  2  o 9.724316  0.4667917     82.55717       12.66247  108.6637       12.72347      -1.352404      0.9335833 
1 1 1 29  7  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  7  4  o 11.13640  1.431896      131.0041       31.15516  ?              ?             ?              ?         
1 1 1 29  7  5  o 22.01402  0.9576024     486.7325       64.03275  520.1328       55.48463      -0.9049509     1.915205  
1 1 1 29  7  6  o 5.126015  0.5072625     27.65984       7.414081  26.59854       6.917517      0.9407941E-01  1.014525  
1 1 1 29  7  7  o 19.42966  1.015152      373.5890       42.59820  475.4344       85.92221      -1.530191      2.030303  
1 1 1 29  7  8  o 8.067159  0.4658431     63.79811       9.820055  69.61569       11.41231      -0.3373617     0.9316861 
1 1 1 29  7  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  7  10 o 11.04781  0.4986590     127.5469       15.41093  122.9494       15.58768      0.2123829      0.9973180 
1 1 1 29  7  11 o 10.13839  0.4787008     105.5553       13.51897  106.3931       13.78153      -0.3543347E-01 0.9574017 
1 1 1 29  7  12 o 5.462088  0.5112864     28.44717       7.574875  34.29315       7.785721      -0.5385283     1.022573  
1 1 1 29  7  13 o 2.102319  0.6310593     -0.9891481     6.585654  2.910742       6.629436      -0.3133881     1.262119  
1 1 1 29  7  14 o 3.062925  0.6398310     3.064028       6.759258  16.64818       6.593104      -1.558661      1.279662  
1 1 1 29  7  15 o 2.915422  0.6884475     10.45021       6.693331  9.471125       6.642186      0.1160253      1.376895  
1 1 1 29  7  16 o 3.642547  0.6764352     16.25435       7.121480  17.24614       7.004385      -0.1339384     1.352870  
1 1 1 29  7  17 o 2.019366  0.6246275     2.485326       6.771065  1.759285       6.794324      0.4928911E-01  1.249255  
1 1 1 29  7  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  9  0  o 10.93139  0.4866309     111.9028       14.69399  130.2637       15.20585      -0.8388788     0.9732618 
1 1 1 29  9  1  o 6.287157  0.5023106     37.80273       8.853928  42.76509       8.673152      -0.4043221     1.004621  
1 1 1 29  9  2  o 22.13177  0.8920310     504.9953       55.54945  511.3121       55.66518      -0.1414523     1.784062  
1 1 1 29  9  3  o 12.70000  0.5333409     158.6514       18.91069  169.1213       19.22257      -0.4103785     1.066682  
1 1 1 29  9  4  o 5.912578  0.5288402     41.56102       9.252598  30.67553       8.012291      0.9119732      1.057680  
1 1 1 29  9  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  9  6  o 4.991681  0.5666753     25.27592       7.901155  26.59510       7.568734      -0.1443715     1.133351  
1 1 1 29  9  7  o 3.326316  0.7069556     5.990558       7.753529  15.86959       7.430925      -1.097201      1.413911  
1 1 1 29  9  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  9  9  o 6.619339  0.4738870     46.91017       8.643237  43.18304       8.847218      0.2898619      0.9477741 
1 1 1 29  9  10 o 6.696911  0.4804824     45.01297       8.720486  48.02347       9.246008      -0.2127211     0.9609648 
1 1 1 29  9  11 o 3.862497  0.6554357     19.20237       6.973309  12.92466       7.420470      0.7744948      1.310871  
1 1 1 29  9  12 o 6.812004  0.4632336     49.81040       8.684547  47.37429       8.945991      0.1906949      0.9264672 
1 1 1 29  9  13 o 3.856506  0.6328099     8.418644       7.099077  24.84338       7.329875      -1.923985      1.265620  
1 1 1 29  9  14 o 2.331680  0.6753091     3.326794       7.216559  4.223656       6.986460      -0.5410515E-01 1.350618  
1 1 1 29  9  15 o 2.682219  0.6920239     4.303205       7.305822  11.55438       6.962067      -0.7156621     1.384048  
1 1 1 29  9  16 o 3.404090  0.7086702     12.34586       7.451334  18.68097       7.414719      -0.7476335     1.417340  
1 1 1 29  9  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  9  18 o 2.539515  0.6529159     19.03878       7.554331  -0.7339277     7.538145      1.638787       1.305832  
1 1 1 29  11 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  11 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  11 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  11 3  o 8.809981  0.4809783     83.37445       11.75184  74.33900       12.01209      0.5206851      0.9619567 
1 1 1 29  11 4  o 6.889244  0.5288743     48.97540       9.455698  48.55823       10.99576      0.6140350E-01  1.057749  
1 1 1 29  11 5  o 12.78979  0.5740855     165.7440       20.75024  169.7350       20.56906      -0.1595836     1.148171  
1 1 1 29  11 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  11 7  o 6.358787  1.374368      45.05818       16.96807  ?              ?             ?              ?         
1 1 1 29  11 8  o 9.266707  0.4853024     86.36789       12.67454  90.22790       12.58011      -0.2115429     0.9706048 
1 1 1 29  11 9  o 5.720049  0.5780727     34.59105       8.729727  34.71141       9.493994      0.1843471E-01  1.156145  
1 1 1 29  11 10 o 3.886506  0.7192661     17.64359       7.756618  15.95155       8.311118      0.2083944      1.438532  
1 1 1 29  11 11 o 3.081563  0.7185536     13.70747       7.228606  5.333723       8.155909      0.8451412      1.437107  
1 1 1 29  11 12 o 7.814268  0.4766298     70.57954       10.20304  58.26559       10.60357      0.8164882      0.9532596 
1 1 1 29  11 13 o 7.787213  0.4926932     56.03586       10.54558  74.86592       10.78360      -1.210343      0.9853864 
1 1 1 29  11 14 o 5.626361  0.5701284     36.48156       8.888386  36.18092       8.741283      0.1309840E-01  1.140257  
1 1 1 29  11 15 f 3.819970  0.6780963     9.156610       8.315525  28.11161       8.016096      -2.075980      1.356193  
1 1 1 29  11 16 o 2.297604  0.7167934     -1.888587      9.735305  9.730049       9.388087      -0.6252739     1.433587  
1 1 1 29  11 17 o 1.657399  0.5666735     -3.942582      8.093903  -7.361774      8.114504      0.1195340      1.133347  
1 1 1 29  13 0  o 3.343262  0.8527997     6.611022       9.923778  13.93056       11.06491      -0.7122653     1.705599  
1 1 1 29  13 1  o 4.565836  0.7435436     31.19020       9.612183  11.73604       10.42902      1.948552       1.487087  
1 1 1 29  13 2  o 20.00554  0.8367425     440.4773       47.09185  401.6250       47.11161      0.9758646      1.673485  
1 1 1 29  13 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  13 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  13 5  o 14.75440  0.6553375     219.4175       27.30042  233.8895       27.10052      -0.4973147     1.310675  
1 1 1 29  13 6  o 13.19219  0.5919830     171.3864       22.10019  189.6872       21.81624      -0.7041854     1.183966  
1 1 1 29  13 7  o 13.97101  0.6110467     202.2594       24.05988  206.6750       23.99358      -0.1605088     1.222093  
1 1 1 29  13 8  o 7.080277  0.5416952     57.39631       10.71328  47.65199       10.56900      0.6941257      1.083390  
1 1 1 29  13 9  o 2.880824  0.7610575     10.90931       8.772938  4.300630       8.258814      0.6398789      1.522115  
1 1 1 29  13 10 o 2.708547  0.7571666     4.437072       8.119994  7.502061       9.151326      -0.3397092     1.514333  
1 1 1 29  13 11 o 5.115690  0.6538349     36.96854       8.688681  20.82103       9.760040      1.677436       1.307670  
1 1 1 29  13 12 o 2.049391  0.6503396     -3.727482      7.486920  1.418273       8.397123      -0.4122102     1.300679  
1 1 1 29  13 13 o 2.443151  0.7172601     2.592784       8.115975  7.012756       8.341373      -0.3501526     1.434520  
1 1 1 29  13 14 o 2.856047  0.7623203     14.38031       8.770606  7.012755       8.479338      0.6552194      1.524641  
1 1 1 29  13 15 o 1.971860  0.6395761     -8.438204      8.888890  5.428566       8.455599      -0.6214578     1.279152  
1 1 1 29  13 16 o 2.344430  0.7779220     10.03162       11.95297  -2.626496      15.56656      0.3287075      1.555844  
1 1 1 29  13 17 o 2.102993  0.6738404     -0.1744860     9.009025  11.92693       9.139818      -0.6157353     1.347681  
1 1 1 29  15 0  o 4.300379  0.8749641     26.38252       11.19347  12.18231       12.55357      1.278696       1.749928  
1 1 1 29  15 1  o 9.508271  0.5757497     88.05434       14.84940  100.1581       15.81590      -0.6171895     1.151499  
1 1 1 29  15 2  o 19.64251  0.8479210     428.1733       46.84554  402.9796       46.88787      0.6454632      1.695842  
1 1 1 29  15 3  o 2.600115  0.7744926     7.370188       10.26033  -6.160491      10.38181      0.8235127      1.548985  
1 1 1 29  15 4  o 20.68367  0.9794840     505.1834       53.19423  445.2622       61.11446      1.808673       1.958968  
1 1 1 29  15 5  o 9.280633  0.5587066     89.97999       14.59864  90.56167       14.45516      -0.3603647E-01 1.117413  
1 1 1 29  15 6  o 11.08997  0.5642328     132.2382       17.91630  126.8343       17.25677      0.2228031      1.128466  
1 1 1 29  15 7  o 5.027328  0.7525923     30.80496       10.33439  26.04262       10.42305      0.4763051      1.505185  
1 1 1 29  15 8  o 3.437939  0.8082064     6.645785       9.513602  19.22919       9.863465      -1.195857      1.616413  
1 1 1 29  15 9  o 5.426486  0.6898406     29.89013       10.35794  36.47257       10.04332      -0.6431017     1.379681  
1 1 1 29  15 10 f 2.666128  0.7459690     -8.389519      9.105048  17.28061       11.29402      -1.823686      1.491938  
1 1 1 29  15 11 o 2.002646  0.6567356     0.7207364      8.451810  -13.55529      10.29985      0.3989398      1.313471  
1 1 1 29  15 12 o 2.865233  0.7784717     11.38815       8.650567  8.240532       9.244750      0.2566718      1.556943  
1 1 1 29  15 13 o 3.017089  0.7906736     7.371233       9.201692  18.44464       9.587759      -0.9444756     1.581347  
1 1 1 29  15 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  15 15 o 4.758528  0.8325891     38.25872       11.43793  37.69216       10.88427      -0.8272508E-01 1.665178  
1 1 1 29  15 16 o 2.259625  0.7273620     8.126922       10.38498  9.860661       10.07380      -0.8526241E-01 1.454724  
1 1 1 29  17 0  o 6.145618  0.8318027     32.19374       12.51972  54.22468       15.37141      -1.660149      1.663605  
1 1 1 29  17 1  o 3.133219  0.8886714     -1.355789      11.65878  15.89524       14.04507      -1.273282      1.777343  
1 1 1 29  17 2  o 9.622108  0.6135877     108.1181       16.42140  88.78165       16.50861      1.020815       1.227175  
1 1 1 29  17 3  o 3.215227  0.8988219     9.196267       12.42406  8.180349       11.78509      0.1124391      1.797644  
1 1 1 29  17 4  o 4.804074  0.9181802     33.37979       12.89279  20.91063       13.26549      1.134173       1.836360  
1 1 1 29  17 5  o 7.941706  0.6435412     59.24981       14.29209  77.47578       13.89718      -1.195094      1.287082  
1 1 1 29  17 6  o 5.146028  0.7623245     53.28052       12.51506  10.44141       11.04864      3.706399       1.524649  
1 1 1 29  17 7  o 2.490587  0.7572163     10.89263       11.41219  -12.93821      10.94230      1.267746       1.514433  
1 1 1 29  17 8  o 4.676001  0.8255344     28.09819       10.54603  26.30520       11.31821      0.2380828      1.651069  
1 1 1 29  17 9  o 3.473750  0.8400670     7.341272       10.76530  22.65650       10.61660      -1.315966      1.680134  
1 1 1 29  17 10 f 5.856928  0.7515575     42.20218       11.46156  44.68599       12.60973      -0.6892102E-01 1.503115  
1 1 1 29  17 11 o 2.649484  0.7994787     7.736555       9.587925  6.258102       11.87618      -0.7601896E-03 1.598957  
1 1 1 29  17 12 f 5.077177  0.8202236     35.63610       11.02291  40.29326       12.06696      -0.2515907     1.640447  
1 1 1 29  17 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  17 14 o 2.087492  0.6925721     -4.672987      10.64674  9.285122       10.80213      -0.5451247     1.385144  
1 1 1 29  19 0  o 6.163583  0.8747971     66.18012       14.44639  24.59194       16.97260      3.348156       1.749594  
1 1 1 29  19 1  o 8.271074  0.7557871     86.01949       15.99672  68.81705       18.55522      1.269673       1.511574  
1 1 1 29  19 2  o 4.444499  0.8966425     41.55369       13.83951  3.364453       15.06707      2.843863       1.793285  
1 1 1 29  19 3  o 5.999681  0.8935007     41.28033       15.34017  47.38941       14.21193      -0.6077303     1.787001  
1 1 1 29  19 4  o 3.265983  0.9376723     8.419259       13.64305  13.09992       13.54889      -0.2879978     1.875345  
1 1 1 29  19 5  o 2.699136  0.8332422     11.51646       13.35914  -6.692901      12.33897      0.9747688      1.666484  
1 1 1 29  19 6  o 5.761864  0.8493868     46.85149       13.90514  38.35416       12.88712      0.6217201      1.698774  
1 1 1 29  19 7  o 3.531576  0.9097700     29.11350       13.56146  4.745702       12.77116      1.705056       1.819540  
1 1 1 29  19 8  o 2.852344  0.8529080     2.712233       11.69447  15.23826       12.78883      -0.7644524     1.705816  
1 1 1 29  19 9  o 2.896044  0.7899197     23.66968       11.23219  -9.437968      12.53903      1.845712       1.579839  
1 1 1 29  19 10 o 3.104769  0.8791686     5.862314       11.91642  27.73299       13.57797      -1.332390      1.758337  
1 1 1 29  19 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  19 12 o 1.920232  0.6651340     0.7967265      11.68410  -17.80334      13.51706      0.3445587      1.330268  
1 1 1 29  21 0  o 3.584459  0.9256142     34.58754       14.50008  -24.31091      21.71271      2.371698       1.851228  
1 1 1 29  21 1  o 8.116572  0.8788228     99.92876       18.46695  70.84824       20.28946      2.106840       1.757646  
1 1 1 29  21 2  o 5.319724  1.100795      48.82920       17.37913  41.71651       18.17759      0.6419820      2.201590  
1 1 1 29  21 3  f 3.431488  0.9974762     24.16880       16.48192  10.78274       15.25491      0.7427411      1.994952  
1 1 1 29  21 4  o 10.43891  0.8071802     131.1138       25.43933  151.6281       21.42343      -1.590790      1.614360  
1 1 1 29  21 5  o 3.047440  0.9214329     0.8489428      16.04400  20.87470       14.35127      -0.9257465     1.842866  
1 1 1 29  21 6  o 2.998931  0.8821573     29.16326       15.33329  -3.370536      13.41652      1.656736       1.764315  
1 1 1 29  21 7  o 5.674717  1.027625      57.75121       16.92620  53.90279       16.21765      0.1624426      2.055249  
1 1 1 29  21 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  21 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  21 10 o 2.690294  0.8579105     18.31674       12.54391  12.39087       16.45385      0.3277980      1.715821  
1 1 1 29  23 0  o 5.384631  1.188878      63.60629       19.18705  62.77783       21.64387      0.5602142      2.377756  
1 1 1 29  23 1  o 2.874359  0.9293455     -15.80365      19.47837  38.82678       20.99031      -1.571727      1.858691  
1 1 1 29  23 2  o 3.314003  1.037629      35.18120       19.48573  16.36157       20.37232      0.7477151      2.075258  
1 1 1 29  23 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  23 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  23 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 29  23 6  o 2.410791  0.8517191     0.1041434      33.00688  0.2641241      18.65279      0.1704114      1.703438  
1 1 1 29  23 7  o 3.368285  1.029692      50.23801       18.86569  29.06639       18.42295      0.8741789      2.059385  
1 1 1 30  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  6  f 6.670496  1.044933      48.09373       12.92005  48.09373       12.92005      ?              ?         
1 1 1 30  0  7  o 2.037960  1.128388      5.819519       6.737848  5.819519       6.737848      ?              ?         
1 1 1 30  0  8  o 2.898868  1.168617      11.82190       6.604142  11.82190       6.604142      ?              ?         
1 1 1 30  0  9  o 1.263915  0.8465480     -2.134190      5.956999  -2.134190      5.956999      ?              ?         
1 1 1 30  0  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  11 o 1.781268  1.051807      3.794413       6.421493  3.794413       6.421493      ?              ?         
1 1 1 30  0  12 o 1.238437  0.8444509     -3.580347      6.469023  -3.580347      6.469023      ?              ?         
1 1 1 30  0  13 o 9.196005  0.6575520     87.38604       11.94884  87.38604       11.94884      ?              ?         
1 1 1 30  0  14 f 4.690718  0.7926573     24.45831       6.798795  24.45831       6.798795      ?              ?         
1 1 1 30  0  15 o 14.80042  0.9192145     235.5989       26.96626  235.5989       26.96626      ?              ?         
1 1 1 30  0  16 o 0.9418293 0.6790845     -10.70681      6.445780  -10.70681      6.445780      ?              ?         
1 1 1 30  0  17 o 1.769625  1.054130      4.864222       6.553756  4.864222       6.553756      ?              ?         
1 1 1 30  0  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  0  19 o 1.319417  0.8870761     0.4043368E-01  6.655103  0.4043368E-01  6.655103      ?              ?         
1 1 1 30  2  0  o 40.11065  1.652065      1728.122       186.5573  1777.458       186.6403      -0.6155888     3.304130  
1 1 1 30  2  1  o 17.01076  0.6793822     289.3763       32.54953  299.5999       32.55228      -0.3015004     1.358764  
1 1 1 30  2  2  o 11.29933  0.4861647     117.8605       15.47467  139.8580       15.39136      -0.9798084     0.9723295 
1 1 1 30  2  3  o 25.90019  1.019641      656.6271       74.22744  735.2480       74.43282      -1.521439      2.039281  
1 1 1 30  2  4  o 14.74296  0.6024197     216.9192       25.01627  224.8899       25.00453      -0.2714069     1.204839  
1 1 1 30  2  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  2  6  f 7.882660  0.5492399     55.30241       11.31852  72.22223       12.82959      -1.062148      1.098480  
1 1 1 30  2  7  o 14.25946  0.8546348     200.1543       34.29031  222.7882       33.92900      -0.8074560     1.709270  
1 1 1 30  2  8  o 8.539292  0.6247254     65.96468       14.74155  83.80637       14.85843      -1.059534      1.249451  
1 1 1 30  2  9  o 16.96983  1.013944      277.6498       47.92733  338.9670       48.17968      -1.819474      2.027889  
1 1 1 30  2  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  2  11 o 2.817222  0.7674726     6.351735       8.609458  5.782399       8.667053      0.4444705E-01  1.534945  
1 1 1 30  2  12 o 2.383892  0.7053107     -10.94456      9.601171  8.054283       8.747155      -1.059084      1.410621  
1 1 1 30  2  13 f 2.292415  0.7079191     5.083100       10.13502  -6.245920      8.391262      0.8799449      1.415838  
1 1 1 30  2  14 o 3.438609  0.7532157     4.518978       9.842855  19.63857       8.340812      -1.421721      1.506431  
1 1 1 30  2  15 o 4.162056  0.7801887     20.16389       10.48093  22.17794       8.641772      -0.3252089     1.560377  
1 1 1 30  2  16 f 2.412797  0.6548908     -1.929663      7.844683  10.18674       6.428727      -0.9240616     1.309782  
1 1 1 30  2  17 o 3.985148  0.6429257     21.82828       7.093072  18.46278       7.106686      0.4125131      1.285851  
1 1 1 30  2  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  2  19 o 2.892456  0.6278006     2.922457       6.887104  22.29891       6.999518      -1.975520      1.255601  
1 1 1 30  4  0  o 17.97907  0.7087746     327.3751       35.86718  332.0685       35.93194      -0.1302840     1.417549  
1 1 1 30  4  1  o 23.28693  0.9236676     553.8904       60.58006  565.5137       60.60219      -0.2501076     1.847335  
1 1 1 30  4  2  o 18.38758  0.7367775     333.8990       38.15058  356.8341       38.14351      -0.6260957     1.473555  
1 1 1 30  4  3  o 9.271880  0.4543534     88.00729       11.62730  85.95131       12.06664      0.1157441      0.9087068 
1 1 1 30  4  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  4  5  o 4.595766  0.5589002     24.09616       6.835109  19.32278       7.178100      0.5416433      1.117800  
1 1 1 30  4  6  o 11.35919  0.4975563     131.8458       15.94623  130.1629       15.86812      0.7350851E-01  0.9951127 
1 1 1 30  4  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  4  8  o 12.96726  0.5407900     169.8038       19.70004  173.5734       19.79125      -0.1446033     1.081580  
1 1 1 30  4  9  f 5.037821  0.5358060     19.56196       7.258165  32.71093       7.328272      -1.347071      1.071612  
1 1 1 30  4  10 o 5.135182  0.5111737     27.57333       7.274170  27.34947       7.165624      0.1896186E-01  1.022347  
1 1 1 30  4  11 o 3.994228  0.6150585     19.42125       6.698535  14.53770       6.877931      0.6080447      1.230117  
1 1 1 30  4  12 o 3.845646  0.6487486     17.26915       6.922305  15.16193       7.012879      0.2644739      1.297497  
1 1 1 30  4  13 o 7.350368  0.4471717     55.95781       9.252094  56.91007       9.160637      -0.6858781E-01 0.8943434 
1 1 1 30  4  14 o 3.021753  0.6590631     14.89000       6.633777  4.760583       6.660227      1.189123       1.318126  
1 1 1 30  4  15 o 3.964505  0.6558993     14.45399       6.861320  22.73932       7.682797      -0.9413933     1.311799  
1 1 1 30  4  16 f 2.094716  0.6813664     -0.3845977     10.54751  -2.978037      8.211884      0.3506024      1.362733  
1 1 1 30  4  17 o 2.051641  0.6757876     0.4961985      10.83970  -2.966300      8.470726      0.3444155      1.351575  
1 1 1 30  4  18 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  4  19 o 2.235748  0.7206855     13.22578       11.70928  4.408113       8.762493      0.4323083      1.441371  
1 1 1 30  6  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  6  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  6  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  6  3  o 8.086041  0.6605926     81.94849       12.21974  49.51121       16.60871      2.157466       1.321185  
1 1 1 30  6  4  o 5.445336  0.5186489     23.64560       7.864713  36.48721       7.491510      -1.226348      1.037298  
1 1 1 30  6  5  o 7.047722  0.4597025     40.20815       8.797439  60.94039       9.088964      -1.488470      0.9194050 
1 1 1 30  6  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  6  7  o 9.458608  0.4631021     83.40684       12.37902  98.06783       12.20234      -0.7831412     0.9262041 
1 1 1 30  6  8  o 4.898928  0.5882573     25.02948       8.094419  25.34138       7.647458      -0.4583207E-01 1.176515  
1 1 1 30  6  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  6  10 o 5.677537  0.4872006     33.95334       7.672052  32.92795       7.653752      0.9124951E-01  0.9744012 
1 1 1 30  6  11 o 5.838643  0.4981772     42.08487       7.833800  28.40178       8.063881      1.211727       0.9963543 
1 1 1 30  6  12 o 4.155078  0.6197164     20.56972       6.801667  16.80424       7.425922      0.4775479      1.239433  
1 1 1 30  6  13 o 4.442042  0.6023355     20.54903       7.232654  23.05110       7.345985      -0.2788178     1.204671  
1 1 1 30  6  14 o 3.295263  0.6895644     14.16288       6.910161  11.12374       6.922504      0.3741902      1.379129  
1 1 1 30  6  15 o 3.127871  0.6790651     7.422729       6.817470  15.90450       6.932220      -1.001574      1.358130  
1 1 1 30  6  16 o 3.318866  0.6800022     8.164090       7.228258  19.78955       7.235632      -1.344080      1.360004  
1 1 1 30  6  17 o 2.048641  0.6335039     4.957710       7.141578  0.9946635E-01  6.997287      0.3455868      1.267008  
1 1 1 30  6  18 o 2.970068  0.7316996     14.59081       7.581275  14.19359       7.502199      0.3457654E-01  1.463399  
1 1 1 30  8  0  o 11.14117  0.5060061     129.6613       15.69974  122.0751       16.01672      0.3455701      1.012012  
1 1 1 30  8  1  o 13.65577  0.5726259     175.7182       21.94430  203.3042       22.02672      -1.014304      1.145252  
1 1 1 30  8  2  o 10.60176  0.4963276     108.8302       14.72825  119.2318       14.85023      -0.4917721     0.9926552 
1 1 1 30  8  3  o 2.942818  0.7381299     5.123321       7.679096  10.27756       7.954072      -0.5489169     1.476260  
1 1 1 30  8  4  o 4.118030  0.9748214     18.37830       15.55476  16.01115       11.73969      0.3512560      1.949643  
1 1 1 30  8  5  o 7.720069  0.5846591     58.66179       15.82741  62.57961       10.71882      -0.3635833     1.169318  
1 1 1 30  8  6  o 7.000004  0.4928127     42.54750       9.443564  57.46741       9.679425      -1.078231      0.9856254 
1 1 1 30  8  7  o 11.75421  0.5149465     137.8620       17.14985  144.3882       16.91714      -0.2824030     1.029893  
1 1 1 30  8  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  8  9  o 12.29021  0.5322203     133.5795       18.18380  177.9548       18.41653      -1.812182      1.064441  
1 1 1 30  8  10 o 10.63115  0.4957898     114.3119       14.73181  119.4273       14.91395      -0.2372009     0.9915796 
1 1 1 30  8  11 o 7.505111  0.4666300     53.11879       9.614282  63.95498       9.947071      -0.7186938     0.9332600 
1 1 1 30  8  12 o 7.321480  0.4730167     59.50420       9.371592  52.62559       10.00454      0.5010750      0.9460334 
1 1 1 30  8  13 o 5.750743  0.5285944     30.77901       8.270864  40.46358       8.404897      -0.8553196     1.057189  
1 1 1 30  8  14 o 2.450832  0.6641198     -1.146119      7.126766  10.80601       7.158173      -1.061249      1.328240  
1 1 1 30  8  15 o 2.072789  0.6438830     2.508271       7.556801  -0.3808169     7.060142      0.2458510      1.287766  
1 1 1 30  8  16 f 2.797703  0.6941465     3.799052       7.565281  16.04572       7.426003      -1.199126      1.388293  
1 1 1 30  8  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  8  18 o 1.738811  0.5785482     3.273762       7.551756  -5.872902      7.519119      0.4172304      1.157096  
1 1 1 30  10 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  10 1  o 6.523586  1.800767      47.82409       24.26424  ?              ?             ?              ?         
1 1 1 30  10 2  f 15.01113  0.6463900     230.9643       27.18325  231.7819       27.44699      -0.2343423E-01 1.292780  
1 1 1 30  10 3  o 8.669290  0.5216430     82.67269       11.81726  69.36789       13.62113      0.8081874      1.043286  
1 1 1 30  10 4  o 2.541591  0.6903110     10.77858       7.855433  -10.01078      9.161603      1.339698       1.380622  
1 1 1 30  10 5  o 8.824537  0.5136951     78.31942       12.86618  81.12930       12.55210      -0.1658172     1.027390  
1 1 1 30  10 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  10 7  o 2.381632  0.7147551     3.474349       8.435239  -2.483290      8.595033      0.3911733      1.429510  
1 1 1 30  10 8  o 3.921456  0.7475947     16.90071       8.543432  16.75714       8.416807      0.1547373E-01  1.495189  
1 1 1 30  10 9  o 2.814017  0.7443255     9.064184       7.748877  3.871580       8.562863      0.4103842      1.488651  
1 1 1 30  10 10 o 2.676908  0.7339156     6.914732       7.592602  4.055958       8.429611      0.1778444      1.467831  
1 1 1 30  10 11 o 5.722516  0.5390110     34.64192       8.350787  35.60576       8.672541      -0.6977321E-01 1.078022  
1 1 1 30  10 12 o 4.213562  0.6752277     12.54692       7.649843  28.20822       8.518699      -1.720831      1.350455  
1 1 1 30  10 13 o 8.305134  0.4821852     61.04869       10.82033  88.17630       11.42161      -1.614870      0.9643704 
1 1 1 30  10 14 o 4.084208  0.6771238     29.78155       8.316172  11.05041       8.143359      2.047226       1.354248  
1 1 1 30  10 15 o 2.381489  0.6261740     16.66202       8.097430  -11.13513      7.514118      1.971002       1.252348  
1 1 1 30  10 16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  10 17 o 2.412684  0.7038142     13.81065       8.251698  3.648516       8.186763      0.7513524      1.407628  
1 1 1 30  12 0  o 4.047594  0.8491959     17.74634       9.804608  17.17881       11.19856      0.3315943E-01  1.698392  
1 1 1 30  12 1  o 8.238165  0.5594755     62.38053       12.83527  76.86353       12.82512      -0.8914195     1.118951  
1 1 1 30  12 2  o 9.688870  0.8202381     111.3839       21.61272  85.87462       22.18142      1.363596       1.640476  
1 1 1 30  12 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  12 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  12 5  o 5.628085  0.7026671     29.34804       11.11563  37.49646       10.47958      -0.7647426     1.405334  
1 1 1 30  12 6  o 10.95147  0.5337350     115.7756       16.56845  131.4645       16.25838      -0.7282709     1.067470  
1 1 1 30  12 7  o 3.176809  0.7781309     4.482514       8.960680  14.69626       8.917634      -0.9677590     1.556262  
1 1 1 30  12 8  o 4.274092  0.7580617     25.56763       9.448333  14.78299       9.209279      1.147896       1.516123  
1 1 1 30  12 9  o 3.893981  0.7420930     10.32012       9.027283  22.72288       8.594608      -1.338128      1.484186  
1 1 1 30  12 10 o 5.439233  0.6636053     28.83987       8.906810  37.93523       10.93009      -0.7242660     1.327211  
1 1 1 30  12 11 o 8.581128  0.5152500     74.76215       11.93253  83.82884       12.86197      -0.4832796     1.030500  
1 1 1 30  12 12 o 5.530402  0.6253003     23.44017       8.751785  46.78154       9.805405      -2.082819      1.250601  
1 1 1 30  12 13 o 4.802867  0.6657979     28.58448       8.472289  27.13988       9.011640      0.2114582      1.331596  
1 1 1 30  12 14 o 1.870418  0.6229575     -4.138033      8.531536  -4.913932      8.500142      0.3674593E-01  1.245915  
1 1 1 30  12 15 o 2.101389  0.6765488     1.435237       9.193398  1.035070       8.505299      0.6955224E-01  1.353098  
1 1 1 30  12 16 o 3.376289  0.7861524     13.09937       9.616096  26.29156       9.210226      -1.290426      1.572305  
1 1 1 30  12 17 o 2.272294  0.6855413     18.06709       9.058184  -1.492776      9.053437      1.134504       1.371083  
1 1 1 30  14 0  o 4.961237  0.8505747     33.46403       11.62421  19.07522       12.93196      1.350211       1.701149  
1 1 1 30  14 1  o 11.23498  0.5847375     135.8424       18.11082  125.7414       18.78972      0.4688371      1.169475  
1 1 1 30  14 2  o 14.71127  0.6690404     216.1144       27.35727  237.8546       27.99020      -0.7257634     1.338081  
1 1 1 30  14 3  o 20.09626  0.8312036     447.2356       47.02002  422.5300       47.02988      0.6174228      1.662407  
1 1 1 30  14 4  o 9.041194  0.5724113     81.58846       14.58058  89.02579       14.36540      -0.4215735     1.144823  
1 1 1 30  14 5  o 8.540579  0.5836970     66.11749       13.94745  86.47887       13.72968      -1.218385      1.167394  
1 1 1 30  14 6  o 17.42039  0.7345413     335.4570       36.19176  321.7191       35.85397      0.3821923      1.469083  
1 1 1 30  14 7  o 3.247677  0.7999911     3.126603       9.933710  17.02090       9.547116      -1.202968      1.599982  
1 1 1 30  14 8  o 2.515038  0.7594876     1.879216       9.390479  1.885167       9.728244      -0.3527246E-01 1.518975  
1 1 1 30  14 9  o 3.266323  0.8075637     17.10112       9.721276  6.104626       9.517779      1.007499       1.615127  
1 1 1 30  14 10 o 6.342297  0.6758200     43.33974       10.86914  49.81556       12.84307      -0.3589879     1.351640  
1 1 1 30  14 11 o 3.325729  0.7780229     20.23657       8.905288  4.434793       10.32722      1.396004       1.556046  
1 1 1 30  14 12 o 2.762684  0.7820421     8.598407       8.640685  8.275840       10.02254      -0.2516104E-01 1.564084  
1 1 1 30  14 13 o 2.973767  0.7775195     5.931008       8.779658  18.91706       9.629036      -1.111400      1.555039  
1 1 1 30  14 14 o 2.340251  1.154314      ?              ?         -8.625450      19.40880      ?              ?         
1 1 1 30  14 15 o 3.111921  0.7371742     0.1107628      10.34908  30.04054       9.796120      -2.247949      1.474348  
1 1 1 30  14 16 o 1.989398  0.6644521     8.924445       10.26277  -3.277949      9.883023      0.4812741      1.328904  
1 1 1 30  16 0  o 5.679832  0.8784615     43.38666       13.24731  28.46927       15.00139      1.351236       1.756923  
1 1 1 30  16 1  o 9.516028  0.6755967     116.9535       16.54725  76.06559       18.46395      2.277241       1.351193  
1 1 1 30  16 2  o 3.892822  0.8844934     5.773726       11.93890  26.52549       12.23923      -1.747099      1.768987  
1 1 1 30  16 3  o 8.164549  0.6374398     75.63840       14.50071  67.60707       14.40897      0.4951255      1.274880  
1 1 1 30  16 4  o 5.597463  0.8139161     47.45122       13.04850  23.88452       12.19509      2.040131       1.627832  
1 1 1 30  16 5  f 3.699250  0.8776937     6.237037       11.80644  23.18742       11.55013      -1.408306      1.755387  
1 1 1 30  16 6  o 2.757940  0.8159715     -1.640885      11.64556  8.262880       10.41474      -0.5095990     1.631943  
1 1 1 30  16 7  o 3.386168  0.8580471     4.165925       11.70089  19.57752       10.86452      -1.189896      1.716094  
1 1 1 30  16 8  o 4.400273  0.7981402     11.51288       10.42604  35.95102       11.24621      -2.297776      1.596280  
1 1 1 30  16 9  f 4.909556  0.8107170     23.83423       11.39509  36.19525       11.12508      -1.220881      1.621434  
1 1 1 30  16 10 f 3.957268  0.8986781     20.91580       10.54028  23.65784       12.46181      -0.1326132     1.797356  
1 1 1 30  16 11 o 7.224905  0.6528960     60.93010       12.12050  68.30601       14.18877      -0.2500990     1.305792  
1 1 1 30  16 12 o 2.856838  0.8202146     13.97333       9.694415  8.394827       11.73222      0.3766206      1.640429  
1 1 1 30  16 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  16 14 o 3.019880  0.7986546     29.06660       10.73710  5.727824       10.98867      1.649003       1.597309  
1 1 1 30  18 0  o 7.735523  0.7640495     71.41492       15.16955  64.39624       17.57600      0.6417299      1.528099  
1 1 1 30  18 1  f 5.076118  0.9627483     44.46063       14.25087  15.67091       18.33180      2.281631       1.925497  
1 1 1 30  18 2  o 6.114052  0.8599376     34.82645       14.57000  53.54036       14.35378      -1.556747      1.719875  
1 1 1 30  18 3  f 3.581619  0.9771696     17.18992       14.31931  11.75244       13.84808      0.3829560      1.954339  
1 1 1 30  18 4  o 8.081861  0.7893395     97.62323       16.67814  54.60016       17.24152      2.798719       1.578679  
1 1 1 30  18 5  o 3.304677  0.9303107     12.22108       13.28785  11.51027       12.80947      0.6331047E-01  1.860621  
1 1 1 30  18 6  o 8.582427  0.6543643     76.69877       15.79702  91.78240       15.35899      -0.9320667     1.308729  
1 1 1 30  18 7  f 3.813909  0.9496208     15.73793       13.54687  24.62095       12.59590      -0.7227757     1.899242  
1 1 1 30  18 8  o 2.814204  0.8472202     11.36478       11.60723  2.872758       12.58131      0.4415599      1.694440  
1 1 1 30  18 9  o 3.335554  0.8897031     20.02805       11.27711  12.72383       12.20234      0.5761113      1.779406  
1 1 1 30  18 10 o 3.617975  0.9516565     23.98965       12.06015  22.15183       14.59313      0.3060955      1.903313  
1 1 1 30  18 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  18 12 o 3.077625  1.040474      56.10181       24.33734  14.73111       39.17662      1.022114       2.080948  
1 1 1 30  20 0  o 10.61183  0.8113980     162.0539       21.93526  114.5936       24.79548      2.616006       1.622796  
1 1 1 30  20 1  o 7.340531  0.9194077     74.87975       17.39316  66.64777       19.72912      0.8830688      1.838815  
1 1 1 30  20 2  o 7.062140  1.030453      72.97141       20.31190  69.25098       19.50601      0.1471562      2.060905  
1 1 1 30  20 3  o 8.548545  0.8144773     94.36976       19.74797  92.36875       18.68234      -0.1512401E-01 1.628955  
1 1 1 30  20 4  o 3.617413  1.004919      30.01975       16.01081  9.225448       16.06157      1.218118       2.009839  
1 1 1 30  20 5  o 3.026341  0.9223800     1.022516       15.75471  18.24767       14.47854      -0.7875849     1.844760  
1 1 1 30  20 6  o 2.030475  0.7054608     -12.68111      13.88209  -19.62800      14.25722      0.1282897      1.410922  
1 1 1 30  20 7  o 2.162206  0.7451569     -20.01553      15.54575  -3.514097      14.40456      -0.3200777     1.490314  
1 1 1 30  20 8  o 2.098555  0.7246413     -22.07138      14.41773  1.381408       14.77848      -0.5779228     1.449283  
1 1 1 30  20 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  20 10 o 1.909333  0.6725564     -12.40848      13.49634  -14.88240      15.52622      -0.6157077E-01 1.345113  
1 1 1 30  22 0  o 6.624369  1.291405      103.0934       25.84994  83.47496       24.31940      0.9243768      2.582809  
1 1 1 30  22 1  o 2.985085  0.9732533     5.178108       17.91990  22.74677       20.71094      -0.5965806     1.946507  
1 1 1 30  22 2  o 4.754597  1.141312      28.34106       19.82073  75.35550       21.65326      -2.561629      2.282624  
1 1 1 30  22 3  o 2.753713  0.9014316     -5.053730      18.69830  18.66870       16.55510      -0.7105722     1.802863  
1 1 1 30  22 4  o 2.486920  0.8513088     -10.21346      21.16463  4.507356       16.75633      -0.1874843     1.702618  
1 1 1 30  22 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  22 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 30  22 7  o 2.294898  0.7951399     6.237526       17.84533  -5.370597      17.07627      0.2637468      1.590280  
1 1 1 30  24 1  o 2.935733  1.000935      18.41048       21.69995  63.99864       28.53861      -0.7110245     2.001871  
1 1 1 30  24 2  o 2.729729  0.9407445     20.03737       22.97691  31.50983       24.00937      -0.2015733     1.881489  
1 1 1 31  1  0  o 17.15132  1.004710      352.1181       48.00219  259.4693       47.88136      2.731421       2.009419  
1 1 1 31  1  1  o 17.74049  0.9991170     321.4243       35.30636  ?              ?             ?              ?         
1 1 1 31  1  2  o 11.89993  1.087371      169.4144       36.11535  128.7588       34.92202      1.725134       2.174743  
1 1 1 31  1  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  1  4  o 10.06188  0.7385076     75.14252       20.45409  133.9087       19.46859      -3.003330      1.477015  
1 1 1 31  1  5  o 2.863765  0.7770270     1.098827       9.339109  9.388155       8.919302      -0.6451750     1.554054  
1 1 1 31  1  6  o 22.89297  1.394333      516.1414       89.07042  634.8242       89.06550      -2.622372      2.788666  
1 1 1 31  1  7  o 7.608529  0.6881465     63.96074       14.92966  56.77433       14.01117      0.4598353      1.376293  
1 1 1 31  1  8  o 2.734488  0.8041404     5.807250       9.749724  -3.187522      11.42896      0.3905745      1.608281  
1 1 1 31  1  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  1  10 o 4.900579  0.7513712     31.18549       10.31577  20.49475       10.03510      1.067479       1.502742  
1 1 1 31  1  11 o 5.706426  0.5291638     43.52911       8.911301  25.29321       7.539576      1.588814       1.058328  
1 1 1 31  1  12 o 2.673682  0.6806882     1.842108       6.948536  10.71571       7.002849      -0.9108034     1.361376  
1 1 1 31  1  13 o 9.524977  0.4738510     90.10825       12.65026  100.2209       12.69405      -0.5325125     0.9477020 
1 1 1 31  1  14 f 6.232301  0.4753532     37.35390       8.323911  45.27907       8.113406      -0.6588567     0.9507064 
1 1 1 31  1  15 o 5.588550  0.5022956     42.14340       7.592196  26.21700       7.596599      1.467776       1.004591  
1 1 1 31  1  16 o 3.424363  0.6773967     19.20664       7.084169  10.30538       7.087913      1.071880       1.354793  
1 1 1 31  1  17 o 2.000125  0.6220297     4.287994       6.991503  -0.5652065     6.820332      0.3455782      1.244059  
1 1 1 31  1  18 o 2.309903  1.096765      3.600687       13.70332  ?              ?             ?              ?         
1 1 1 31  1  19 o 2.230360  0.6667639     6.512178       7.275828  9.742552       7.298112      -0.2461302     1.333528  
1 1 1 31  3  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  3  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  3  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  3  3  o 22.31054  1.821147      ?              ?         534.3132       80.55483      ?              ?         
1 1 1 31  3  4  o 8.178702  0.4587017     69.19962       10.57380  66.61683       10.47224      0.1577230      0.9174035 
1 1 1 31  3  5  o 11.52627  0.4945967     128.0551       16.08974  141.2651       15.98448      -0.5769778     0.9891934 
1 1 1 31  3  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  3  7  o 5.275024  0.5746168     29.80283       8.838815  28.32379       7.847052      0.1166691      1.149234  
1 1 1 31  3  8  o 13.06437  0.5548830     166.8390       20.34440  182.5302       20.44773      -0.6015810     1.109766  
1 1 1 31  3  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  3  10 o 10.54847  0.4829557     124.4882       14.31345  103.6560       14.28195      0.9932513      0.9659113 
1 1 1 31  3  11 o 4.836044  0.6947545     13.23424       8.679307  38.75816       10.15862      -2.530146      1.389509  
1 1 1 31  3  12 o 4.130287  0.8429170     20.60591       10.69758  18.76311       10.10478      0.1779739      1.685834  
1 1 1 31  3  13 o 3.760993  0.8134623     8.666631       10.71496  22.42868       9.656210      -1.300169      1.626925  
1 1 1 31  3  14 o 2.531224  0.7671152     2.232960       10.96707  3.171664       8.863579      0.1274224      1.534230  
1 1 1 31  3  15 o 1.874373  0.6211461     1.534678       10.36382  -14.44360      8.165401      0.9036621      1.242292  
1 1 1 31  3  16 o 5.611969  0.7529841     56.79175       12.70190  26.77287       10.38753      2.365282       1.505968  
1 1 1 31  3  17 o 2.305356  0.7166328     15.16733       11.52123  -4.948301      8.831635      1.190672       1.433266  
1 1 1 31  3  18 o 3.476270  0.8573716     17.75531       12.72475  28.78434       10.28135      -1.162642      1.714743  
1 1 1 31  5  0  o 6.073991  0.7093364     56.70968       12.07797  21.67969       10.92205      2.924801       1.418673  
1 1 1 31  5  1  o 3.604939  0.6990765     17.88037       7.620056  8.752989       7.541715      1.072432       1.398153  
1 1 1 31  5  2  o 17.16771  0.6982825     269.4799       33.57026  333.3299       33.74189      -1.867697      1.396565  
1 1 1 31  5  3  o 20.99087  0.8357394     445.8284       49.30081  465.1886       49.51939      -0.4595604     1.671479  
1 1 1 31  5  4  o 10.76180  0.5243475     110.9942       15.01021  125.4990       16.80628      -0.6547253     1.048695  
1 1 1 31  5  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  5  6  o 3.087687  0.6784120     0.1216515      7.398820  16.88157       7.680128      -1.761791      1.356824  
1 1 1 31  5  7  o 11.68934  0.5224339     144.8479       17.38622  134.2853       16.97215      0.4476626      1.044868  
1 1 1 31  5  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  5  9  o 10.02818  0.4851750     85.53796       13.45049  120.9028       13.65859      -1.773991      0.9703501 
1 1 1 31  5  10 o 7.326032  0.4660477     44.89220       9.349941  65.70924       9.540333      -1.436264      0.9320953 
1 1 1 31  5  11 o 3.614561  0.6935816     13.09826       7.058020  15.83495       7.507384      -0.3299791     1.387163  
1 1 1 31  5  12 o 4.272934  0.6359348     17.29329       7.292826  22.92304       7.601795      -0.6418445     1.271870  
1 1 1 31  5  13 o 7.434688  0.4735313     56.87025       9.766663  60.35117       9.930065      -0.2285997     0.9470626 
1 1 1 31  5  14 f 2.562154  0.6775008     10.35239       6.979837  2.029280       6.975443      0.8115982      1.355002  
1 1 1 31  5  15 o 4.837058  0.5938999     29.39211       7.937100  25.13240       7.701225      0.4259962      1.187800  
1 1 1 31  5  16 o 4.698525  0.6032586     26.64699       7.816244  27.37690       7.631696      -0.1040608     1.206517  
1 1 1 31  5  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  5  18 o 2.383650  0.6951926     6.887595       7.633451  10.55772       7.662898      -0.2923401     1.390385  
1 1 1 31  7  0  o 4.273343  0.7065845     11.42416       8.268639  26.99027       9.043644      -1.701588      1.413169  
1 1 1 31  7  1  o 10.04202  0.5007295     96.95283       14.17071  107.7107       14.06704      -0.5403562     1.001459  
1 1 1 31  7  2  o 3.410070  0.7630859     12.92574       8.371945  10.73457       8.149278      0.2503933      1.526172  
1 1 1 31  7  3  o 3.205581  0.9112619     8.868072       12.73660  1.794884       12.84291      0.4525651      1.822524  
1 1 1 31  7  4  o 8.146338  0.8453363     85.24866       23.44750  59.97035       15.77917      1.368582       1.690673  
1 1 1 31  7  5  f 16.14524  0.6753980     254.3639       30.62086  282.1258       30.73768      -0.8617997     1.350796  
1 1 1 31  7  6  o 14.85813  0.6345760     211.6355       26.46650  242.3727       26.55068      -1.038306      1.269152  
1 1 1 31  7  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  7  8  o 13.78852  0.5805383     200.3461       22.62982  192.3732       22.44083      0.2863700      1.161077  
1 1 1 31  7  9  o 1.766196  0.5866989     -10.32204      7.471299  -4.620809      7.623607      -0.2890648     1.173398  
1 1 1 31  7  10 o 11.39011  0.5179455     123.5471       16.47977  145.7266       16.65114      -0.9748250     1.035891  
1 1 1 31  7  11 o 5.581096  0.5513524     26.20484       8.143728  39.86116       8.584216      -1.239450      1.102705  
1 1 1 31  7  12 o 5.765007  0.5322071     32.51842       8.239769  38.82347       8.662412      -0.5358902     1.064414  
1 1 1 31  7  13 o 3.340689  0.7308512     14.40593       7.513900  11.66223       7.797815      0.3178828      1.461702  
1 1 1 31  7  14 o 2.395923  0.6730634     0.2973873      7.167135  8.946874       7.224649      -0.7512453     1.346127  
1 1 1 31  7  15 o 3.253251  0.6784572     22.36542       7.913857  4.007914       7.406935      1.933343       1.356914  
1 1 1 31  7  16 o 2.878545  0.7241583     13.99264       7.611785  9.146947       7.419855      0.4970750      1.448317  
1 1 1 31  7  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  9  0  o 4.979659  0.7345025     25.60654       9.533977  27.38836       10.55649      -0.1548560     1.469005  
1 1 1 31  9  1  o 15.09135  0.6421399     237.2762       27.27198  230.3302       27.28870      0.2312608      1.284280  
1 1 1 31  9  2  o 18.12923  0.7556797     322.9320       38.40611  357.6721       38.68608      -0.9575581     1.511359  
1 1 1 31  9  3  o 7.359449  0.5351060     56.30361       10.54770  54.86787       11.46615      0.1162240      1.070212  
1 1 1 31  9  4  o 3.788986  0.7376043     22.41713       8.521384  4.966152       9.760318      1.718549       1.475209  
1 1 1 31  9  5  o 6.033475  0.6773121     39.70821       12.47021  37.53822       10.22522      0.1159784      1.354624  
1 1 1 31  9  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  9  7  o 3.010415  0.7453991     3.062648       8.463225  12.83301       8.085504      -0.9181194     1.490798  
1 1 1 31  9  8  f 2.431635  0.7303483     -0.4944611     8.915507  2.387590       8.661145      -0.1663555     1.460697  
1 1 1 31  9  9  o 3.391996  0.7070357     1.118110       8.707720  20.63977       8.218216      -1.915519      1.414071  
1 1 1 31  9  10 o 3.649129  0.7282858     18.41287       7.991069  10.92071       8.051353      0.8559284      1.456572  
1 1 1 31  9  11 o 5.961390  0.5615281     33.71307       8.864326  42.90627       9.532279      -0.7527149     1.123056  
1 1 1 31  9  12 o 1.669357  0.5663198     -8.437631      7.371964  -10.32196      8.088337      -0.3062469E-01 1.132640  
1 1 1 31  9  13 o 7.549418  0.5001285     52.44308       10.08929  72.06287       10.89195      -1.262221      1.000257  
1 1 1 31  9  14 o 4.832574  0.6357263     17.61699       8.316792  38.22865       8.521876      -2.122957      1.271453  
1 1 1 31  9  15 o 2.003505  0.6304849     6.827629       8.164227  -7.191401      7.717492      0.8347953      1.260970  
1 1 1 31  9  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  9  17 o 2.493694  0.7283375     11.47909       8.274227  8.953141       8.490474      0.1969208      1.456675  
1 1 1 31  11 0  o 15.24437  0.7037720     231.7534       32.07001  249.0337       28.55906      -0.6410732     1.407544  
1 1 1 31  11 1  o 6.613246  0.7114033     49.66192       14.33992  43.68081       11.78068      0.3843920      1.422807  
1 1 1 31  11 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  11 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  11 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  11 5  o 6.165705  0.6656499     34.77652       11.45220  44.84763       10.96716      -0.8588955     1.331300  
1 1 1 31  11 6  o 6.582971  0.6201354     44.66423       11.54062  46.72659       10.99157      -0.1785002     1.240271  
1 1 1 31  11 7  o 8.283464  0.5244009     66.60094       12.30879  75.70638       11.97476      -0.5652961     1.048802  
1 1 1 31  11 8  o 7.389943  0.5610569     54.98999       11.72075  60.02665       11.35322      -0.3592364     1.122114  
1 1 1 31  11 9  o 5.082070  0.6735798     16.71594       9.701190  39.66515       9.222672      -2.275800      1.347160  
1 1 1 31  11 10 o 8.209638  0.5095366     65.82764       11.49075  77.18930       11.88963      -0.6810091     1.019073  
1 1 1 31  11 11 o 4.174469  0.7543215     15.28557       8.581889  26.29744       9.563181      -1.147519      1.508643  
1 1 1 31  11 12 o 6.530204  0.5517034     43.06755       9.590402  51.96048       10.35720      -0.6339801     1.103407  
1 1 1 31  11 13 o 2.964855  0.7253659     16.56149       7.871666  3.099914       8.673624      1.240087       1.450732  
1 1 1 31  11 14 o 2.528328  0.7243054     11.66413       8.432770  1.827250       8.528248      0.7460183      1.448611  
1 1 1 31  11 15 o 3.009488  0.9791404     17.92237       18.93655  18.81418       19.41613      -0.2433871E-01 1.958281  
1 1 1 31  11 16 o 2.266055  0.6983257     -0.2721260     9.159422  12.11674       8.818324      -0.7200159     1.396651  
1 1 1 31  13 0  o 6.810896  0.7438657     37.56909       12.70026  62.28217       14.78272      -1.789227      1.487731  
1 1 1 31  13 1  o 14.57610  0.6424012     223.1795       26.13329  220.4000       26.57680      0.1065947      1.284802  
1 1 1 31  13 2  f 11.56602  0.6000693     131.4483       19.31360  146.9208       19.63579      -0.6652417     1.200139  
1 1 1 31  13 3  o 2.503122  0.7572037     8.302172       11.19916  -12.51977      10.50181      1.211748       1.514407  
1 1 1 31  13 4  o 20.37570  0.8567118     454.5915       49.15901  449.5607       49.14022      0.1232039      1.713424  
1 1 1 31  13 5  o 9.718937  0.5959730     84.60862       16.43505  113.0435       15.76592      -1.505448      1.191946  
1 1 1 31  13 6  o 3.450049  0.7770271     -4.394244      10.47903  24.75295       10.70743      -2.359705      1.554054  
1 1 1 31  13 7  o 5.428047  0.7109752     30.18545       10.60860  34.98182       10.41747      -0.4606037     1.421950  
1 1 1 31  13 8  o 5.409785  0.7266526     28.68349       10.69515  36.91881       10.72388      -0.7725163     1.453305  
1 1 1 31  13 9  o 7.469666  0.5721048     51.78913       11.96672  68.46365       11.64281      -1.157609      1.144210  
1 1 1 31  13 10 o 8.686141  0.6085886     65.62855       15.23443  100.7070       13.43657      -2.188158      1.217177  
1 1 1 31  13 11 o 2.521249  0.7456172     -1.572328      8.761967  10.67165       10.14979      -0.9274642     1.491234  
1 1 1 31  13 12 o 2.560736  0.7606085     5.008177       8.554061  6.679109       10.21392      -0.2107960     1.521217  
1 1 1 31  13 13 o 3.568249  0.8046216     14.99086       8.812863  22.39986       9.705165      -0.6880355     1.609243  
1 1 1 31  13 14 o 3.315415  1.497914      ?              ?         28.81603       21.16493      ?              ?         
1 1 1 31  13 15 o 2.878900  0.8319335     13.15441       10.33111  19.38267       11.27847      -0.3779639     1.663867  
1 1 1 31  13 16 o 2.253412  0.7176148     3.281302       10.22776  13.58946       9.739833      -0.5167689     1.435230  
1 1 1 31  15 0  o 11.50326  0.6405008     120.9347       19.63829  161.3489       21.56662      -1.701074      1.281002  
1 1 1 31  15 1  o 7.401829  0.7179903     61.35172       14.11445  57.68956       15.20047      0.3041201      1.435981  
1 1 1 31  15 2  o 11.55863  0.6309349     134.0864       20.15697  150.3888       20.74035      -0.6884255     1.261870  
1 1 1 31  15 3  o 10.06590  0.6034521     118.3588       17.26778  96.94654       16.67392      1.051187       1.206904  
1 1 1 31  15 4  o 8.246878  0.6411563     76.37298       15.14548  70.78728       14.29341      0.3037137      1.282313  
1 1 1 31  15 5  o 3.133563  0.8411075     -6.259959      12.24487  18.85415       11.76819      -1.614141      1.682215  
1 1 1 31  15 6  o 3.287983  0.7840919     26.60828       11.93281  -13.13168      11.54013      2.646281       1.568184  
1 1 1 31  15 7  o 3.779141  0.8916585     7.820850       13.98940  22.56765       10.77367      -1.124077      1.783317  
1 1 1 31  15 8  o 3.502855  0.8524206     5.861927       10.90694  22.72018       11.19275      -1.418618      1.704841  
1 1 1 31  15 9  o 2.849157  0.8238701     10.54082       10.84030  4.380772       10.47582      0.4447991      1.647740  
1 1 1 31  15 10 o 2.533035  0.7793839     3.718006       10.40423  3.505620       10.47022      0.7743824E-02  1.558768  
1 1 1 31  15 11 o 2.563675  0.7865713     5.840383       9.774682  4.507675       11.53548      -0.1627687E-01 1.573143  
1 1 1 31  15 12 f 1.790834  0.6184559     -4.923602      9.677778  -22.06279      11.69267      0.2701854      1.236912  
1 1 1 31  15 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  15 14 o 2.226341  0.7255106     4.828692       10.41331  4.963381       10.76601      -0.1609672E-01 1.451021  
1 1 1 31  17 0  o 3.786913  1.006601      13.64195       12.91514  20.24911       16.84174      -0.5458729     2.013203  
1 1 1 31  17 1  o 5.238408  1.008656      37.85555       14.41853  30.54710       17.28137      0.7423948      2.017311  
1 1 1 31  17 2  o 3.617876  0.9740371     13.61870       13.75798  15.26660       13.85928      -0.1191630     1.948074  
1 1 1 31  17 3  o 9.602012  0.6679311     104.8433       18.73302  100.9907       17.17767      0.1056287      1.335862  
1 1 1 31  17 4  o 7.025570  0.7887617     53.51520       15.80491  61.36748       14.55182      -0.6794549     1.577523  
1 1 1 31  17 5  o 3.776334  0.8330894     -8.359562      13.46036  34.99058       12.97456      -2.916975      1.666179  
1 1 1 31  17 6  o 9.164516  0.6612235     94.88973       16.95158  97.71745       16.84362      -0.1647656     1.322447  
1 1 1 31  17 7  o 1.838781  0.6419274     -35.81322      13.26343  -10.65832      11.81571      -0.4060881     1.283855  
1 1 1 31  17 8  o 2.157078  0.7265269     -9.017398      12.05965  -7.208976      12.38318      -0.8842375E-01 1.453054  
1 1 1 31  17 9  f 3.890821  0.8408546     35.01394       11.74725  7.229909       12.10509      2.282845       1.681709  
1 1 1 31  17 10 o 2.936422  0.8654758     9.604404       11.72624  15.15970       12.27353      -0.3466517     1.730952  
1 1 1 31  17 11 o 2.398586  0.7858655     12.87351       13.46149  -7.788359      13.42464      0.7567562      1.571731  
1 1 1 31  17 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  19 0  o 4.054312  1.064068      30.22399       15.41690  14.07077       20.01536      1.015644       2.128136  
1 1 1 31  19 1  o 7.993928  0.8989474     93.49818       18.23012  67.75658       21.14296      2.018796       1.797895  
1 1 1 31  19 2  o 8.527646  0.8308177     82.30767       18.69743  100.3048       20.24180      -0.9014676     1.661635  
1 1 1 31  19 3  o 3.373595  1.012645      12.44737       19.13481  14.11438       15.09986      0.2296013E-02  2.025290  
1 1 1 31  19 4  o 5.329727  1.036901      53.16867       17.19233  32.74454       15.67902      1.466898       2.073802  
1 1 1 31  19 5  o 4.203416  1.053288      29.78922       16.22250  28.18193       15.16548      0.4883237E-01  2.106575  
1 1 1 31  19 6  o 3.224591  0.9506119     16.16944       14.53105  13.46727       14.29489      0.1539478      1.901224  
1 1 1 31  19 7  o 2.390777  0.7876893     -18.15958      15.27720  9.645787       13.34602      -0.7910413     1.575379  
1 1 1 31  19 8  o 2.138212  0.7259521     -29.99936      14.63453  8.299060       14.54520      -0.9565965     1.451904  
1 1 1 31  19 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  19 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  21 0  o 3.020167  0.9867042     8.352692       17.13954  15.40074       22.98337      -0.3015006     1.973408  
1 1 1 31  21 1  o 3.179145  1.014230      10.91532       17.87144  22.63635       21.01654      -0.4339068     2.028460  
1 1 1 31  21 2  o 3.314230  1.049260      27.32680       20.72855  14.06833       20.14860      0.4825903      2.098521  
1 1 1 31  21 3  f 4.424710  1.132828      29.60348       20.88630  55.92141       19.20465      -1.693804      2.265655  
1 1 1 31  21 4  o 2.564290  0.8702165     -4.360425      18.36861  4.478260       18.24514      -0.2196016     1.740433  
1 1 1 31  21 5  o 2.930782  0.9467111     26.94946       19.22699  5.269255       16.68145      0.7648399      1.893422  
1 1 1 31  21 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  21 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 31  21 8  o 2.637670  0.8840817     13.54785       17.70828  17.31872       17.64154      -0.1081250     1.768163  
1 1 1 31  23 2  o 2.994113  1.018924      11.80872       26.80023  62.00228       27.14095      -0.9754274     2.037849  
1 1 1 31  23 3  o 2.331502  0.8257821     -22.58241      21.84196  23.05829       24.80674      -0.6712405     1.651564  
1 1 1 31  23 4  o 2.380435  0.8355734     -4.899487      24.88629  11.20138       19.62028      -0.1945517     1.671147  
1 1 1 32  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  6  o 3.409228  1.629738      17.65595       12.74953  17.65595       12.74953      ?              ?         
1 1 1 32  0  7  o 13.34602  0.8126736     181.9977       21.50573  181.9977       21.50573      ?              ?         
1 1 1 32  0  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  9  o 12.62641  0.7834543     163.4746       19.60790  163.4746       19.60790      ?              ?         
1 1 1 32  0  10 o 12.65790  0.7742811     164.7220       19.43172  164.7220       19.43172      ?              ?         
1 1 1 32  0  11 o 1.059553  0.7539674     -9.374805      6.933454  -9.374805      6.933454      ?              ?         
1 1 1 32  0  12 o 4.267633  1.059251      21.96643       7.824132  21.96643       7.824132      ?              ?         
1 1 1 32  0  13 o 4.530573  0.9812220     24.11184       7.795958  24.11184       7.795958      ?              ?         
1 1 1 32  0  14 o 8.164144  0.6695166     70.32793       10.75720  70.32793       10.75720      ?              ?         
1 1 1 32  0  15 o 1.494859  0.9664745     0.9860173      6.772435  0.9860173      6.772435      ?              ?         
1 1 1 32  0  16 o 1.436039  0.9451138     0.3601542      6.903105  0.3601542      6.903105      ?              ?         
1 1 1 32  0  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  0  18 o 1.354359  0.9201158     -0.6075423     7.534330  -0.6075423     7.534330      ?              ?         
1 1 1 32  2  0  o 15.88717  0.6533254     260.9810       29.20388  254.5594       29.25440      0.2034091      1.306651  
1 1 1 32  2  1  o 17.54653  0.7067967     300.4994       34.86541  329.7227       34.95292      -0.8350990     1.413593  
1 1 1 32  2  2  o 11.73796  0.5224029     142.9215       17.37321  137.0069       17.13481      0.2503906      1.044806  
1 1 1 32  2  3  f 11.26215  0.5187297     135.1309       16.45565  122.4340       16.38625      0.5658911      1.037459  
1 1 1 32  2  4  o 5.985507  0.5412443     36.72675       9.139526  37.06850       8.778296      -0.3663910E-01 1.082489  
1 1 1 32  2  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  2  6  o 8.429113  0.6092503     56.13113       13.08629  91.70629       15.26450      -2.099713      1.218501  
1 1 1 32  2  7  o 5.690310  0.8185075     49.32898       13.53976  20.37122       12.38251      2.483064       1.637015  
1 1 1 32  2  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  2  9  o 4.431193  0.8157835     32.83446       11.35316  8.442144       11.34460      2.257507       1.631567  
1 1 1 32  2  10 o 10.10690  0.7087936     103.2922       19.95043  114.4088       19.99500      -0.5549629     1.417587  
1 1 1 32  2  11 o 4.284571  0.7540657     5.579583       10.30180  34.05162       10.48820      -2.690234      1.508131  
1 1 1 32  2  12 o 4.840868  0.7949753     21.49928       10.92326  31.88056       10.70857      -1.037035      1.589951  
1 1 1 32  2  13 o 6.564450  0.7591637     31.55369       13.74305  67.45338       12.89941      -2.862689      1.518327  
1 1 1 32  2  14 o 2.863433  0.7895495     -3.055094      11.61024  14.43893       9.356705      -1.056637      1.579099  
1 1 1 32  2  15 o 5.435044  0.7801890     26.08243       13.83960  48.53398       10.92979      -2.303681      1.560378  
1 1 1 32  2  16 o 2.236386  0.6386181     13.87532       8.463411  -6.964485      7.039523      1.542960       1.277236  
1 1 1 32  2  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  2  18 o 2.188293  0.6645632     9.973851       7.615545  2.680724       7.642067      0.5069127      1.329126  
1 1 1 32  4  0  o 12.26564  0.5406033     146.9923       18.53848  158.8617       18.76710      -0.4834257     1.081207  
1 1 1 32  4  1  o 10.76982  0.5026253     122.1604       15.25544  113.3105       15.17997      0.4120893      1.005251  
1 1 1 32  4  2  o 13.44046  0.5745829     165.9778       21.73841  201.4514       21.62828      -1.328937      1.149166  
1 1 1 32  4  3  o 13.12471  0.5675873     165.9029       20.67702  185.1924       21.23069      -0.7313041     1.135175  
1 1 1 32  4  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  4  5  o 2.705853  0.7043073     -0.4793947     7.782875  10.59408       7.564910      -1.004361      1.408615  
1 1 1 32  4  6  o 8.719777  0.4920613     83.66163       12.01206  71.24845       12.01055      0.7181805      0.9841227 
1 1 1 32  4  7  o 8.838963  0.8853551     85.24200       26.58180  83.19524       18.61910      -0.1384155     1.770710  
1 1 1 32  4  8  o 6.426282  1.697218      ?              ?         47.98429       22.13375      ?              ?         
1 1 1 32  4  9  o 4.145731  0.6730232     25.58227       8.027439  10.68902       8.124869      1.674139       1.346046  
1 1 1 32  4  10 o 2.278936  0.6785585     1.788369       7.392846  0.8928949      7.514376      0.5285081E-01  1.357117  
1 1 1 32  4  11 o 6.536709  0.4904573     36.59969       8.885970  52.41679       8.763567      -1.239560      0.9809145 
1 1 1 32  4  12 o 2.678697  0.7120669     7.517460       7.199787  5.574890       7.501594      0.1680897      1.424134  
1 1 1 32  4  13 o 4.877059  0.6106795     17.69316       7.901586  35.35159       8.248248      -1.824767      1.221359  
1 1 1 32  4  14 o 3.539672  0.7214929     15.08919       7.429839  15.71086       7.818384      -0.5518109E-01 1.442986  
1 1 1 32  4  15 o 5.940257  0.5663309     40.42465       8.781285  41.83296       9.860711      -0.4801644E-02 1.132662  
1 1 1 32  4  16 o 3.194712  0.7127211     27.38827       9.409554  -1.144995      9.101973      2.382045       1.425442  
1 1 1 32  4  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  4  18 f 3.517752  0.9178239     33.17369       13.89664  27.30791       10.82650      -0.8919087E-01 1.835648  
1 1 1 32  6  0  o 2.992378  0.8792368     -7.389973      13.00334  9.927285       13.14254      -1.003090      1.758474  
1 1 1 32  6  1  o 6.092475  1.666188      41.08926       20.88318  ?              ?             ?              ?         
1 1 1 32  6  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  6  3  o 6.632748  0.5708693     39.15166       9.885542  51.79277       11.02838      -0.9461312     1.141739  
1 1 1 32  6  4  o 9.722241  0.5389478     95.79307       15.79837  97.38257       13.80391      -0.1133969     1.077896  
1 1 1 32  6  5  o 10.69603  0.5149245     106.1595       15.62917  126.7714       15.27523      -0.9762561     1.029849  
1 1 1 32  6  6  o 12.71375  0.8442035     172.7822       30.09653  169.5641       29.90659      0.1229368      1.688407  
1 1 1 32  6  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  6  8  o 11.88563  0.5468374     143.9821       18.42474  147.7974       18.14274      -0.1673319     1.093675  
1 1 1 32  6  9  o 5.761389  0.5663940     33.72448       8.859365  36.32191       9.095345      -0.2215098     1.132788  
1 1 1 32  6  10 o 6.700713  0.5084536     50.20403       9.383933  43.54389       9.550642      0.5106671      1.016907  
1 1 1 32  6  11 o 3.346637  0.7137664     6.923274       7.532234  17.49991       7.842358      -1.192713      1.427533  
1 1 1 32  6  12 o 8.224906  0.4889259     59.74757       10.94414  83.89004       11.40762      -1.463282      0.9778518 
1 1 1 32  6  13 o 5.646303  0.5685871     22.75717       8.091849  48.73771       8.926687      -2.309949      1.137174  
1 1 1 32  6  14 o 2.476966  0.6724144     -1.533685      7.425668  11.89256       7.458400      -1.146834      1.344829  
1 1 1 32  6  15 o 2.277963  0.6805976     4.824568       7.690718  3.377526       7.397602      0.1303347      1.361195  
1 1 1 32  6  16 o 3.603437  0.7389002     16.17563       8.051558  21.35043       8.056635      -0.5904818     1.477800  
1 1 1 32  6  17 o 1.903211  0.6241910     -4.914639      8.332913  4.619246       8.225220      -0.4433668     1.248382  
1 1 1 32  8  0  o 10.46208  0.5354044     111.5785       15.44106  112.1944       16.04861      -0.2058131E-01 1.070809  
1 1 1 32  8  1  o 7.679809  0.5601442     62.60773       12.02934  58.70005       11.94595      0.2558609      1.120288  
1 1 1 32  8  2  o 6.184348  0.6227181     49.39464       10.75017  29.96771       10.09633      1.602315       1.245436  
1 1 1 32  8  3  o 9.214938  0.5297769     72.76421       13.17426  101.4068       14.02775      -1.555392      1.059554  
1 1 1 32  8  4  f 9.455912  0.5483796     80.03535       13.59552  104.4213       15.46420      -1.265144      1.096759  
1 1 1 32  8  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  8  6  o 3.647898  0.8385940     16.37386       9.315310  9.794243       11.24854      0.5384802      1.677188  
1 1 1 32  8  7  o 4.609800  0.7043400     19.62325       8.962047  26.02322       8.927729      -0.6878290     1.408680  
1 1 1 32  8  8  o 4.054460  0.7863693     20.70314       9.558311  15.73635       9.089717      0.5315033      1.572739  
1 1 1 32  8  9  f 4.842946  0.6781266     19.80846       9.416181  30.37849       8.741458      -1.126435      1.356253  
1 1 1 32  8  10 o 13.37640  0.5927588     188.0219       22.27627  193.3421       22.34766      -0.1968537     1.185518  
1 1 1 32  8  11 o 2.641881  0.7354636     3.819631       7.923743  7.565137       8.335644      -0.3572121     1.470927  
1 1 1 32  8  12 o 5.116405  0.6238149     23.59223       8.362774  35.14510       8.950091      -1.115230      1.247630  
1 1 1 32  8  13 o 3.407485  0.7439970     16.47572       7.671402  11.79918       8.462043      0.5390351      1.487994  
1 1 1 32  8  14 f 3.559879  0.7329180     21.15255       8.077303  11.50770       8.233211      1.079410       1.465836  
1 1 1 32  8  15 f 2.689919  0.7398835     8.701470       8.138425  10.26668       8.058778      -0.1381291     1.479767  
1 1 1 32  8  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  8  17 o 2.002443  0.6513256     1.785424       8.483913  3.869297       8.490599      -0.1045669     1.302651  
1 1 1 32  10 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  10 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  10 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  10 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  10 4  f 5.248134  0.7288266     36.58916       10.43821  21.61055       10.60323      1.443029       1.457653  
1 1 1 32  10 5  o 9.683252  0.6076120     74.66892       15.30168  122.4302       17.21362      -2.447265      1.215224  
1 1 1 32  10 6  f 4.099055  0.8010889     26.65319       10.42536  9.515103       9.956109      1.704163       1.602178  
1 1 1 32  10 7  o 7.687979  0.5509145     57.95219       11.85272  65.57973       11.73992      -0.5063045     1.101829  
1 1 1 32  10 8  o 6.399943  0.6236767     44.54908       11.19554  43.57612       10.79455      0.5945643E-01  1.247353  
1 1 1 32  10 9  o 6.561209  0.5809973     52.88277       10.75178  39.25339       10.19413      1.035471       1.161995  
1 1 1 32  10 10 o 2.294450  0.7057731     -2.777576      8.498890  3.377975       8.892592      -0.4350013     1.411546  
1 1 1 32  10 11 o 2.487281  0.7383021     -1.788912      8.343908  9.001406       10.19766      -0.9008762     1.476604  
1 1 1 32  10 12 o 6.464830  0.5689368     40.71147       9.761415  53.14228       10.49336      -0.9216143     1.137874  
1 1 1 32  10 13 o 2.447214  0.7267866     5.462381       8.085898  3.965212       9.023537      0.4357438E-01  1.453573  
1 1 1 32  10 14 o 2.456476  0.7204964     7.733921       7.980467  4.599666       8.589841      0.2078182      1.440993  
1 1 1 32  10 15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  10 16 o 1.825786  0.6129763     -9.655092      9.265772  3.524575       8.631834      -0.4562801     1.225953  
1 1 1 32  12 0  o 17.84123  0.7577360     305.1834       37.40689  369.0818       38.54080      -1.768124      1.515472  
1 1 1 32  12 1  o 5.546036  0.8218631     41.98368       12.70784  24.63469       12.52285      1.544610       1.643726  
1 1 1 32  12 2  o 6.802518  0.6895859     58.12651       12.52728  39.07896       12.98448      1.464233       1.379172  
1 1 1 32  12 3  o 6.776962  0.6840954     47.49830       12.42890  50.76906       13.06623      -0.2224201     1.368191  
1 1 1 32  12 4  o 13.73760  0.6118814     211.1690       23.60782  183.7364       23.63202      1.004890       1.223763  
1 1 1 32  12 5  f 7.996907  0.6340389     63.56917       14.36622  71.85147       13.79016      -0.5483884     1.268078  
1 1 1 32  12 6  o 7.699728  0.6202151     62.43644       13.50638  64.22889       13.03479      -0.1374502     1.240430  
1 1 1 32  12 7  o 8.619683  0.5638848     70.06892       13.66161  86.92096       13.41546      -1.001075      1.127770  
1 1 1 32  12 8  o 6.424319  0.6646625     33.16084       11.40729  57.20750       11.56396      -1.925341      1.329325  
1 1 1 32  12 9  o 12.24486  0.5885385     172.9969       20.36048  152.7356       20.11231      0.8191009      1.177077  
1 1 1 32  12 10 f 4.205872  0.8084132     33.43769       11.42216  11.00021       9.733762      2.110948       1.616826  
1 1 1 32  12 11 o 3.648095  0.8544971     16.35177       9.270263  18.98280       11.56440      -0.1790176     1.708994  
1 1 1 32  12 12 o 2.916715  0.7492068     -2.012361      8.898742  21.58370       10.19618      -1.869831      1.498414  
1 1 1 32  12 13 f 2.223856  0.7003794     -3.184271      8.683226  7.789536       9.894712      -0.6931962     1.400759  
1 1 1 32  12 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  12 15 o 3.029603  0.8124495     23.70803       10.22313  11.22558       9.973661      0.9724035      1.624899  
1 1 1 32  14 0  o 13.55384  0.6819465     198.2202       25.19313  194.9553       26.82411      0.1819113      1.363893  
1 1 1 32  14 1  o 6.268804  0.8256880     53.63027       13.72469  32.61002       14.76619      1.755684       1.651376  
1 1 1 32  14 2  o 11.59205  0.6311457     147.0159       20.33962  138.8243       20.71903      0.3697951      1.262291  
1 1 1 32  14 3  o 8.870796  0.6489856     64.66164       15.37296  104.5711       16.10095      -2.261811      1.297971  
1 1 1 32  14 4  o 6.600954  0.7853389     50.54585       15.41365  47.94966       13.16005      0.6811418E-01  1.570678  
1 1 1 32  14 5  o 3.809553  0.9114239     24.47856       12.62844  7.932898       12.10010      1.369019       1.822848  
1 1 1 32  14 6  o 3.168799  0.8507358     -3.146700      12.02582  18.79266       11.78177      -1.479042      1.701472  
1 1 1 32  14 7  o 6.205147  0.7137716     43.46098       12.61030  44.30468       11.64840      -0.1400200     1.427543  
1 1 1 32  14 8  o 6.745715  0.6787827     50.44740       12.50102  53.58618       12.66097      -0.2250855     1.357565  
1 1 1 32  14 9  o 3.461499  0.8712162     10.33360       11.06508  19.51739       10.98701      -0.7770177     1.742432  
1 1 1 32  14 10 f 2.281304  0.7331632     4.283248       10.79131  -7.129014      10.51067      0.5595380      1.466326  
1 1 1 32  14 11 o 1.879418  0.6462684     -6.776659      9.827596  -21.26884      12.74054      0.1150523      1.292537  
1 1 1 32  14 12 o 4.857025  0.8255116     33.97437       10.43981  34.87759       12.30650      0.2263130      1.651023  
1 1 1 32  14 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  14 14 o 1.953964  0.6624776     -4.656409      10.24609  0.7384087      10.83544      -0.2161778     1.324955  
1 1 1 32  16 0  o 4.706709  1.068499      19.86183       14.74789  39.07089       18.32858      -1.382004      2.136999  
1 1 1 32  16 1  o 6.529747  0.8900831     73.93590       15.32680  26.61493       17.90164      3.631235       1.780166  
1 1 1 32  16 2  f 6.198021  0.8610470     60.64714       14.86901  29.73092       14.68383      2.472116       1.722094  
1 1 1 32  16 3  o 5.081889  0.9732928     32.97452       14.14923  32.35017       14.53218      0.7663835E-01  1.946586  
1 1 1 32  16 4  o 9.388033  0.6747581     101.4772       18.14704  96.39798       17.21936      0.2126865      1.349516  
1 1 1 32  16 5  o 2.493195  0.8029534     -17.44396      13.81193  6.135456       13.27633      -0.8706329     1.605907  
1 1 1 32  16 6  o 5.921594  0.8813567     47.49767       14.47503  40.98587       14.11183      0.5118745      1.762713  
1 1 1 32  16 7  o 3.984489  0.9655239     24.63122       13.71041  19.85008       12.58590      0.3539862      1.931048  
1 1 1 32  16 8  o 5.313466  0.8849420     34.30219       12.88149  41.99231       13.32232      -0.6412224     1.769884  
1 1 1 32  16 9  o 2.973164  0.7991595     24.47057       11.72451  -8.168271      11.89762      1.960091       1.598319  
1 1 1 32  16 10 o 3.337663  0.8564963     3.497582       11.98916  29.87956       12.33754      -1.842640      1.712993  
1 1 1 32  16 11 o 2.167490  0.7285735     -12.94443      11.83564  8.365534       14.02550      -0.8085444     1.457147  
1 1 1 32  16 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  18 0  o 11.22449  0.7920212     124.5460       22.91498  181.4662       26.44258      -2.230059      1.584042  
1 1 1 32  18 1  o 2.730539  0.8987311     0.1643618      15.57048  -10.43425      18.73666      0.1330854      1.797462  
1 1 1 32  18 2  o 4.097365  1.050182      27.36868       15.87710  21.17725       15.63538      0.4307778      2.100363  
1 1 1 32  18 3  o 3.775018  0.9791097     -5.929592      18.16716  36.83158       16.19606      -2.265494      1.958219  
1 1 1 32  18 4  o 2.753253  0.8816193     -8.592461      16.08344  9.336909       14.69033      -0.6155218     1.763239  
1 1 1 32  18 5  o 4.248301  1.048565      37.24977       16.01353  20.04692       16.44214      1.227474       2.097130  
1 1 1 32  18 6  o 3.184475  0.9360157     5.405451       14.65645  20.88426       14.38195      -0.8477277     1.872031  
1 1 1 32  18 7  o 3.900821  1.020899      33.40072       15.92425  20.94714       14.38070      0.7682859      2.041798  
1 1 1 32  18 8  o 4.236189  1.026376      26.43751       15.91804  40.38008       15.02390      -1.117738      2.052752  
1 1 1 32  18 9  o 2.112568  0.7198012     -17.60660      12.93588  5.637894       14.02496      -0.7133470     1.439602  
1 1 1 32  18 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  20 0  o 2.966097  0.9768336     2.249413       17.22788  16.04256       23.29596      -0.5548504     1.953667  
1 1 1 32  20 1  o 4.107065  1.145978      34.27060       18.15022  34.69098       21.77942      0.2020245      2.291955  
1 1 1 32  20 2  o 7.400148  1.045108      109.3496       21.11057  64.96133       22.41102      3.194032       2.090216  
1 1 1 32  20 3  o 2.694663  0.8871051     23.07362       19.35611  -20.93867      18.28521      1.269693       1.774210  
1 1 1 32  20 4  o 3.413327  1.027617      16.74715       18.58875  27.78522       17.07081      -0.5568599     2.055234  
1 1 1 32  20 5  o 4.064197  1.084572      54.77822       19.18928  20.48197       18.88670      1.866181       2.169144  
1 1 1 32  20 6  o 2.921474  0.9489863     -7.017092      22.36655  30.38696       18.41934      -1.060060      1.897973  
1 1 1 32  20 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  20 8  o 2.534268  1.246148      7.995928       22.04375  ?              ?             ?              ?         
1 1 1 32  22 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  22 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  22 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  22 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 32  22 4  o 2.514942  0.8754957     12.95247       22.52923  4.095074       21.37843      0.1641409      1.750991  
1 1 1 32  22 5  o 2.391824  0.8385816     25.85223       22.42034  -13.26917      21.35435      0.6451289      1.677163  
1 1 1 33  1  0  o 13.34904  0.8551148     222.3268       31.54309  148.6839       31.43305      2.798388       1.710230  
1 1 1 33  1  1  o 3.400584  1.145146      11.28310       9.216473  ?              ?             ?              ?         
1 1 1 33  1  2  o 14.98224  1.399094      319.2438       56.44699  177.0830       55.63840      4.869449       2.798189  
1 1 1 33  1  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  1  4  o 5.915227  0.8356310     15.88225       15.66483  56.48267       13.17035      -3.251300      1.671262  
1 1 1 33  1  5  o 3.311594  0.8524902     -3.937132      12.42316  17.31851       11.04717      -1.424528      1.704980  
1 1 1 33  1  6  o 2.447217  0.7703523     -9.782869      11.17431  1.387084       10.97474      -0.5382167     1.540705  
1 1 1 33  1  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  1  8  o 3.535137  0.9064037     -1.951942      13.51125  20.52026       12.62388      -1.515675      1.812807  
1 1 1 33  1  9  o 5.620215  0.8128394     19.04291       12.74413  50.33428       13.04365      -2.693762      1.625679  
1 1 1 33  1  10 o 3.434175  0.8688133     4.569563       11.09657  18.28733       11.43514      -1.136729      1.737627  
1 1 1 33  1  11 o 3.455082  0.7824733     9.587217       10.72264  14.99782       7.761846      -0.4538680     1.564947  
1 1 1 33  1  12 o 4.344711  0.6477966     16.73140       7.712191  25.23682       7.805571      -0.9673821     1.295593  
1 1 1 33  1  13 o 3.494272  0.7055978     7.088582       7.889688  20.92807       7.935321      -1.526131      1.411196  
1 1 1 33  1  14 o 3.575620  0.6937615     22.55363       7.826134  8.186465       7.820647      1.606926       1.387523  
1 1 1 33  1  15 o 3.028730  0.7270370     8.390344       7.596154  15.48475       7.701900      -0.7522935     1.454074  
1 1 1 33  1  16 o 1.813629  0.5931765     -4.843516      7.242583  1.125736       7.314672      -0.3181656     1.186353  
1 1 1 33  1  17 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  1  18 o 2.533803  0.7002630     4.078860       8.230715  19.30952       8.227903      -1.187647      1.400526  
1 1 1 33  3  0  o 3.841652  1.554821      8.161209       18.53705  ?              ?             ?              ?         
1 1 1 33  3  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  3  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  3  3  o 13.82438  0.5989540     190.5337       23.02099  200.7760       23.59192      -0.3638290     1.197908  
1 1 1 33  3  4  o 12.96649  0.5892195     171.4424       21.59974  173.0947       21.39137      -0.6710824E-01 1.178439  
1 1 1 33  3  5  o 11.03430  0.5184734     119.1212       16.14583  129.3556       16.01576      -0.4682505     1.036947  
1 1 1 33  3  6  o 6.400893  1.078788      16.35016       22.44378  71.11152       20.81140      -3.630192      2.157576  
1 1 1 33  3  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  3  8  o 3.946203  0.7026632     3.609535       9.239429  27.68795       8.848390      -2.412880      1.405326  
1 1 1 33  3  9  o 2.344139  0.6931802     6.116694       8.177661  -4.572371      8.182688      0.7583576      1.386360  
1 1 1 33  3  10 o 2.420236  0.7013397     6.027607       7.751096  -1.053625      8.035933      0.5204036      1.402679  
1 1 1 33  3  11 o 6.962657  0.6500185     45.15627       11.31111  61.79869       13.74617      -1.086547      1.300037  
1 1 1 33  3  12 o 5.230006  0.8052654     33.56315       11.52701  31.18214       11.62850      0.2322196      1.610531  
1 1 1 33  3  13 o 2.074375  0.6897273     -18.44690      11.45610  -0.4625033     10.42685      -0.5450416     1.379455  
1 1 1 33  3  14 o 4.851546  0.8476054     44.92379       12.96351  18.80100       11.30783      2.245325       1.695211  
1 1 1 33  3  15 o 2.450496  0.7635947     -5.616736      12.66895  8.760454       9.623309      -0.5198544     1.527189  
1 1 1 33  3  16 o 2.530938  0.7825789     4.366623       12.41599  9.226861       9.583242      -0.1816998     1.565158  
1 1 1 33  3  17 o 2.268197  0.7374343     -3.287912      13.37954  9.608435       9.947810      -0.4040991     1.474869  
1 1 1 33  5  0  o 2.781971  0.7968559     3.173756       9.349870  4.423211       10.18373      -0.1835556     1.593712  
1 1 1 33  5  1  o 13.60554  0.5976499     199.7037       22.87442  178.8256       22.85370      0.7708938      1.195300  
1 1 1 33  5  2  f 3.984416  0.7505062     26.87999       9.793484  5.615492       9.210989      2.156457       1.501012  
1 1 1 33  5  3  o 2.920712  0.7645885     -3.376447      9.018573  14.63500       9.981865      -1.535352      1.529177  
1 1 1 33  5  4  o 4.504379  0.7634494     16.28403       9.874720  26.49791       9.669028      -1.067050      1.526899  
1 1 1 33  5  5  o 9.509813  0.6182995     88.26009       16.44796  98.59302       16.40320      -0.5499437     1.236599  
1 1 1 33  5  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  5  7  o 8.011701  0.5390425     63.04968       12.40508  69.33145       11.73538      -0.4129391     1.078085  
1 1 1 33  5  8  o 3.373104  0.7842824     17.70280       9.359494  5.007075       9.026527      1.248576       1.568565  
1 1 1 33  5  9  o 2.508960  0.6776857     -10.96682      8.528052  12.64806       8.495171      -1.659882      1.355371  
1 1 1 33  5  10 o 2.439853  0.7043315     7.532320       8.067545  -2.694266      8.233019      0.7566749      1.408663  
1 1 1 33  5  11 o 9.035058  0.4860255     91.17828       12.40807  80.70318       12.21638      0.5762001      0.9720509 
1 1 1 33  5  12 o 5.165477  0.6158451     26.11350       8.456377  33.37081       8.844153      -0.6929860     1.231690  
1 1 1 33  5  13 o 5.674018  0.5692619     37.11433       8.611565  35.12886       9.165071      0.2245629      1.138524  
1 1 1 33  5  14 o 3.095383  0.7512635     8.729191       7.842172  15.88871       8.384744      -0.7318159     1.502527  
1 1 1 33  5  15 o 4.276474  0.7073281     24.84116       8.416744  23.62934       8.390290      0.1329408      1.414656  
1 1 1 33  5  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  5  17 o 3.324061  0.7689127     15.96084       8.584253  22.60369       8.460231      -0.7102003     1.537825  
1 1 1 33  7  0  o 16.00484  0.6724351     252.4086       30.10469  276.1588       30.46322      -0.7389354     1.344870  
1 1 1 33  7  1  o 3.254074  0.8475416     12.81511       10.62956  5.073088       10.33061      0.6717821      1.695083  
1 1 1 33  7  2  o 5.526959  0.7040260     28.53557       10.78884  35.60057       10.42287      -0.6646218     1.408052  
1 1 1 33  7  3  o 14.28160  0.6287085     213.2498       24.97277  207.3537       25.57415      0.2181014      1.257417  
1 1 1 33  7  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  7  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  7  6  o 3.241009  0.8220685     9.152973       9.556053  10.62063       9.611279      -0.1385026     1.644137  
1 1 1 33  7  7  o 10.94082  0.5505472     109.6311       16.80154  138.2816       16.91553      -1.317297      1.101094  
1 1 1 33  7  8  o 4.745394  0.7535970     26.89305       10.00072  23.04824       9.740149      0.3868336      1.507194  
1 1 1 33  7  9  o 5.868516  0.6260213     28.21287       10.27834  44.82026       9.644755      -1.495975      1.252043  
1 1 1 33  7  10 o 11.67227  0.5549566     143.8231       18.09066  146.0490       18.34102      -0.8551099E-01 1.109913  
1 1 1 33  7  11 o 4.020380  0.7323666     23.02901       8.485992  14.06896       8.670313      1.005387       1.464733  
1 1 1 33  7  12 o 2.849043  0.7062911     -1.493478      8.001204  17.01331       8.497654      -1.665831      1.412582  
1 1 1 33  7  13 o 3.273458  0.7689197     13.86804       7.971046  13.17624       8.736493      0.8816142E-01  1.537839  
1 1 1 33  7  14 o 2.090840  0.6667259     -0.4228870     8.223207  0.4607009      8.463914      -0.7234882E-01 1.333452  
1 1 1 33  7  15 o 2.486392  0.7248383     7.282144       8.295665  7.502803       8.190808      -0.1412665E-01 1.449677  
1 1 1 33  7  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  9  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  9  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  9  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  9  3  o 6.898097  0.6766364     38.38847       12.13524  61.85936       13.19564      -1.717274      1.353273  
1 1 1 33  9  4  o 8.441032  0.5600371     74.19354       13.03310  73.64529       13.40349      0.4181546E-01  1.120074  
1 1 1 33  9  5  o 13.46161  0.6103705     188.1553       23.36185  189.6493       22.88004      -0.6772511E-01 1.220741  
1 1 1 33  9  6  o 12.99223  0.6111774     160.0241       22.23530  193.0567       22.31167      -1.277868      1.222355  
1 1 1 33  9  7  o 3.914106  0.8131683     14.67780       9.192674  19.80181       10.08993      -0.5356790     1.626337  
1 1 1 33  9  8  o 6.384023  0.6394609     41.37756       11.41202  46.45275       11.01337      -0.4266253     1.278922  
1 1 1 33  9  9  o 3.723243  0.8521076     12.61629       11.26192  18.31159       9.763999      -0.5200914     1.704215  
1 1 1 33  9  10 o 7.281496  0.5544996     57.04684       11.05099  57.77789       11.43936      -0.2966865E-01 1.108999  
1 1 1 33  9  11 o 4.231236  0.7378737     13.06778       8.981104  29.47082       9.384689      -1.718321      1.475747  
1 1 1 33  9  12 o 2.386155  0.7162164     6.388512       8.315941  -0.6456175     8.944551      0.4228581      1.432433  
1 1 1 33  9  13 o 3.824179  0.6910908     30.27416       8.569378  5.405056       9.429967      2.481800       1.382182  
1 1 1 33  9  14 o 2.133762  0.6689548     -5.509951      8.290788  8.554556       9.146366      -0.8527324     1.337910  
1 1 1 33  9  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  9  16 o 1.665296  0.5734723     -16.44223      9.340155  0.8742794      8.952763      -0.4883123     1.146945  
1 1 1 33  11 0  o 8.278306  0.7314662     78.05996       16.78658  67.88714       16.64977      0.6217567      1.462932  
1 1 1 33  11 1  o 4.233285  0.9244200     26.69105       12.79387  11.90434       12.53434      1.294291       1.848840  
1 1 1 33  11 2  o 3.240975  0.8581555     16.75829       11.56119  -1.417211      11.69171      1.312831       1.716311  
1 1 1 33  11 3  o 12.84302  0.6632734     156.9339       22.19160  193.0217       25.81367      -1.302845      1.326547  
1 1 1 33  11 4  o 7.573443  0.6203061     62.97025       12.94455  58.36620       13.12190      0.3151019      1.240612  
1 1 1 33  11 5  o 8.051867  0.6475694     53.28717       14.75645  83.64056       13.54473      -1.985400      1.295139  
1 1 1 33  11 6  o 4.385244  0.8785251     16.81456       11.98152  26.72102       11.37077      -0.9439544     1.757050  
1 1 1 33  11 7  f 4.454909  0.7869104     32.18501       10.53591  12.35382       10.51904      1.946226       1.573821  
1 1 1 33  11 8  o 8.995984  0.5685892     88.59882       14.28447  85.31975       14.34077      0.1865197      1.137178  
1 1 1 33  11 9  o 3.978582  0.8866450     13.51699       12.26156  24.08300       11.01365      -0.9610184     1.773290  
1 1 1 33  11 10 o 3.271478  0.8110799     5.277071       10.21667  18.57967       9.715798      -1.144080      1.622160  
1 1 1 33  11 11 o 3.633777  0.8166552     20.69189       9.413438  13.10075       9.999951      0.7702130      1.633310  
1 1 1 33  11 12 o 2.258074  0.7126912     -4.332535      9.020791  6.794824       10.31845      -0.7040134     1.425382  
1 1 1 33  11 13 o 2.479242  0.7486928     7.164353       8.746118  4.711564       10.01027      0.1026173      1.497386  
1 1 1 33  11 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  11 15 o 2.569852  0.7765273     9.053674       10.09058  13.88598       10.06964      -0.3031777     1.553055  
1 1 1 33  13 0  o 2.366876  0.7973881     -20.36518      13.68432  -9.459898      16.32060      -0.6012639     1.594776  
1 1 1 33  13 1  o 9.072727  0.6678013     91.95715       16.97776  84.76087       16.77109      0.3931032      1.335603  
1 1 1 33  13 2  o 5.377064  0.8677744     19.26377       13.24991  46.40411       13.71094      -2.338407      1.735549  
1 1 1 33  13 3  o 5.697681  0.8499392     48.03757       13.40844  24.88950       13.81601      2.003642       1.699878  
1 1 1 33  13 4  o 3.043234  0.8675272     13.14573       12.03845  -1.673471      12.28174      0.9305664      1.735054  
1 1 1 33  13 5  o 7.147458  0.7086549     62.48748       14.47606  50.92901       13.33940      0.7607492      1.417310  
1 1 1 33  13 6  o 3.636301  0.8776694     26.59910       12.68650  1.225916       12.04173      1.954782       1.755339  
1 1 1 33  13 7  o 3.027486  0.8494644     11.35890       11.46570  5.596900       10.42649      0.4824399      1.698929  
1 1 1 33  13 8  o 5.879390  0.7664635     41.91425       12.18534  40.17312       12.36955      0.1669188      1.532927  
1 1 1 33  13 9  o 4.705107  0.9059374     22.12491       12.07076  36.93560       13.15332      -1.275973      1.811875  
1 1 1 33  13 10 o 1.921555  0.6558599     -8.635838      10.84816  -13.59985      10.63493      0.1783731      1.311720  
1 1 1 33  13 11 f 3.626402  0.7292845     33.47209       10.24569  -3.194276      11.02077      2.899756       1.458569  
1 1 1 33  13 12 o 3.170358  0.8437783     8.176285       9.940971  24.85093       11.88258      -1.232289      1.687557  
1 1 1 33  13 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  13 14 o 2.450904  0.7677121     10.39079       9.919932  8.380886       11.39037      0.1062589      1.535424  
1 1 1 33  15 0  o 11.16869  0.7392606     139.7622       21.91947  139.6821       24.44355      0.1530530      1.478521  
1 1 1 33  15 1  o 6.028088  0.9413809     36.38960       14.88661  52.02046       16.43103      -1.164276      1.882762  
1 1 1 33  15 2  o 2.919277  0.8903381     -8.303305      14.21306  11.82132       14.41056      -0.9932967     1.780676  
1 1 1 33  15 3  o 3.173244  0.9257394     15.61666       14.13632  -2.055618      14.36399      0.9746802      1.851479  
1 1 1 33  15 4  o 4.124245  0.9902422     17.17325       14.74493  25.05226       13.42821      -0.6303450     1.980484  
1 1 1 33  15 5  o 3.394136  0.9456071     7.312601       14.26830  16.36832       13.06889      -0.5461003     1.891214  
1 1 1 33  15 6  o 4.306249  0.9211994     9.858001       13.93761  37.00823       13.52457      -2.163617      1.842399  
1 1 1 33  15 7  o 2.660582  0.8326072     -1.647246      13.48762  5.233034       11.66066      -0.2054887     1.665214  
1 1 1 33  15 8  o 2.801072  0.8553852     4.748475       12.30623  7.652275       12.49284      -0.1685829     1.710770  
1 1 1 33  15 9  o 4.179481  0.9731468     27.29157       12.54168  27.39217       14.37528      0.1434524      1.946294  
1 1 1 33  15 10 o 2.411504  0.7627839     13.85902       12.29531  -11.44501      12.00572      1.106754       1.525568  
1 1 1 33  15 11 f 2.013441  0.6877469     -7.441452      11.58779  -6.507922      12.10771      -0.6522136E-01 1.375494  
1 1 1 33  15 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  17 0  o 10.10668  0.8061831     113.3218       21.39368  134.8932       23.98025      -0.8344120     1.612366  
1 1 1 33  17 1  o 2.993325  0.9523384     -5.073827      15.69193  12.59408       19.27786      -0.8824021     1.904677  
1 1 1 33  17 2  f 3.965890  1.024500      31.71691       15.93493  11.17651       15.90111      1.359693       2.049000  
1 1 1 33  17 3  o 3.955458  0.9976628     36.36603       16.02186  5.275400       16.10911      1.979027       1.995326  
1 1 1 33  17 4  o 2.727496  0.8786890     9.020101       16.28972  -7.330082      14.53241      0.7420049      1.757378  
1 1 1 33  17 5  o 5.059085  1.032089      46.19974       16.77315  31.82451       14.66656      0.9556950      2.064178  
1 1 1 33  17 6  o 3.958917  1.020640      29.59505       15.24273  20.95500       14.71979      0.5933011      2.041280  
1 1 1 33  17 7  o 8.804040  0.7469314     110.0265       19.25197  90.70228       17.23631      0.8264475      1.493863  
1 1 1 33  17 8  o 3.077936  0.9389831     17.56788       15.44718  11.94530       14.41239      0.2806156      1.877966  
1 1 1 33  17 9  o 2.104218  0.7237217     -0.7209859E-02 13.50579  -19.61856      14.68157      0.4150652      1.447443  
1 1 1 33  17 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  19 0  o 2.808910  0.9410629     2.776825       17.64542  -4.808055      23.22491      -0.1133134E-01 1.882126  
1 1 1 33  19 1  o 3.890649  1.131472      32.03858       17.99648  24.72609       24.73239      0.5413023      2.262944  
1 1 1 33  19 2  o 4.613571  1.174547      35.64249       19.11984  49.43449       20.41076      -0.7474256     2.349094  
1 1 1 33  19 3  o 6.074950  1.168462      64.87502       21.17513  67.94685       20.19655      -0.4046332     2.336924  
1 1 1 33  19 4  o 3.700608  1.070564      35.88568       19.34794  20.40141       16.74387      0.7024461      2.141129  
1 1 1 33  19 5  o 3.576009  1.002850      46.91726       18.87449  7.268786       15.46053      1.952814       2.005701  
1 1 1 33  19 6  o 3.287481  0.9762484     39.29985       17.83084  5.764371       16.55059      1.516008       1.952497  
1 1 1 33  19 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  19 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  21 0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  21 1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  21 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  21 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  21 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 33  21 5  o 2.821696  0.9493780     33.91524       22.85274  14.49517       18.81745      0.4109244      1.898756  
1 1 1 34  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  7  o 1.706081  1.127067      -1.752836      9.962377  -1.752836      9.962377      ?              ?         
1 1 1 34  0  8  o 2.048951  1.251862      4.201864       9.735106  4.201864       9.735106      ?              ?         
1 1 1 34  0  9  o 3.178186  1.358925      15.03917       8.811348  15.03917       8.811348      ?              ?         
1 1 1 34  0  10 o 5.652575  0.8985679     35.22297       9.390613  35.22297       9.390613      ?              ?         
1 1 1 34  0  11 f 3.520376  1.264845      17.29052       8.146441  17.29052       8.146441      ?              ?         
1 1 1 34  0  12 o 1.216388  0.8516563     -7.055168      7.753060  -7.055168      7.753060      ?              ?         
1 1 1 34  0  13 o 2.545807  1.302601      11.04050       8.388905  11.04050       8.388905      ?              ?         
1 1 1 34  0  14 o 7.101058  0.7600965     55.31033       10.48331  55.31033       10.48331      ?              ?         
1 1 1 34  0  15 o 3.309058  1.307835      17.70776       8.326526  17.70776       8.326526      ?              ?         
1 1 1 34  0  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  0  17 o 2.063596  1.207420      9.382112       8.330229  9.382112       8.330229      ?              ?         
1 1 1 34  2  0  o 12.92268  0.5851173     169.2553       21.11564  172.8080       21.43443      -0.1333381     1.170235  
1 1 1 34  2  1  o 13.39249  0.5963998     180.6989       22.42209  186.9228       22.52649      -0.2317711     1.192800  
1 1 1 34  2  2  o 4.906172  0.7538605     27.44164       10.39795  24.17515       9.929028      0.3187438      1.507721  
1 1 1 34  2  3  o 4.700083  0.7691607     31.84068       10.16124  13.82785       10.92141      1.775822       1.538321  
1 1 1 34  2  4  o 11.41597  0.5652547     139.1612       18.19851  128.2394       18.05309      0.4786156      1.130509  
1 1 1 34  2  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  2  6  o 3.515467  1.448018      6.353725       16.42718  ?              ?             ?              ?         
1 1 1 34  2  7  o 8.417563  0.8189994     68.47297       19.09229  83.51346       18.73662      -0.9302225     1.637999  
1 1 1 34  2  8  o 3.490952  0.9668288     5.303760       14.59509  13.44412       13.61748      -0.4673414     1.933658  
1 1 1 34  2  9  o 2.564555  0.8151392     -4.815394      12.07217  -2.069150      12.67462      -0.1925160     1.630278  
1 1 1 34  2  10 o 4.824739  0.8925365     35.54945       12.63175  17.89901       13.15011      1.597340       1.785073  
1 1 1 34  2  11 o 3.274165  0.8809240     5.879313       11.34973  15.62608       11.80170      -0.7592894     1.761848  
1 1 1 34  2  12 o 3.443109  0.8722326     7.962139       11.22128  19.40846       11.19728      -0.9431365     1.744465  
1 1 1 34  2  13 o 3.267872  0.8780673     11.69600       11.55255  14.32615       10.95359      -0.1963882     1.756135  
1 1 1 34  2  14 o 3.410552  0.8846042     25.47345       12.65699  9.005335       10.88072      1.249731       1.769208  
1 1 1 34  2  15 o 2.583513  0.7613968     -11.87080      12.99624  17.12716       10.22250      -1.312957      1.522794  
1 1 1 34  2  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  2  17 f 3.025176  0.7670110     13.15343       8.653152  20.51197       8.532497      -0.7111446     1.534022  
1 1 1 34  4  0  o 27.03874  1.122144      767.4781       85.31562  814.3108       85.50759      -0.8644220     2.244289  
1 1 1 34  4  1  o 6.491473  0.6209539     44.30052       11.05827  43.47339       11.15934      0.6752390E-01  1.241908  
1 1 1 34  4  2  o 3.905839  0.8106729     8.555450       10.48041  21.98233       9.766570      -1.293649      1.621346  
1 1 1 34  4  3  o 9.642629  0.5551085     96.81139       14.55921  94.07755       15.49864      0.1597449      1.110217  
1 1 1 34  4  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  4  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  4  6  o 5.166482  0.6777347     7.639808       9.722836  52.31366       10.47437      -4.050600      1.355469  
1 1 1 34  4  7  o 3.397937  0.8162071     6.253239       9.835852  16.31079       9.652125      -0.9281556     1.632414  
1 1 1 34  4  8  o 10.79368  0.5474576     118.2370       16.59432  124.6557       16.60103      -0.2988381     1.094915  
1 1 1 34  4  9  o 5.991042  0.6258855     31.28139       10.06439  45.37023       10.32246      -1.200445      1.251771  
1 1 1 34  4  10 o 1.949794  0.6414102     -4.066416      8.562778  -8.650397      8.673681      0.1969603      1.282820  
1 1 1 34  4  11 f 4.488346  0.6972095     27.64633       8.650881  17.80675       8.793773      1.079619       1.394419  
1 1 1 34  4  12 o 4.904913  0.6398758     20.44160       8.536113  33.88479       8.588116      -1.393427      1.279752  
1 1 1 34  4  13 o 2.762544  0.7472651     8.756131       7.945123  7.904911       8.380465      0.5988452E-01  1.494530  
1 1 1 34  4  14 o 2.104372  0.6654249     -2.350286      7.985261  3.437990       8.473585      -0.3843725     1.330850  
1 1 1 34  4  15 o 2.502535  0.6941096     15.27959       8.291371  -2.431536      8.503212      1.299287       1.388219  
1 1 1 34  4  16 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  4  17 o 2.292521  0.7533149     4.683404       14.34219  10.28794       10.40215      -0.1833933     1.506630  
1 1 1 34  6  0  o 9.449940  0.5850085     96.19213       15.16147  87.44638       15.78798      0.4797600      1.170017  
1 1 1 34  6  1  o 5.205213  1.063405      25.24489       16.61275  34.57735       16.70685      -0.7436087     2.126810  
1 1 1 34  6  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  6  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  6  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  6  5  o 9.215160  0.5434001     87.49182       14.28673  88.10923       13.79491      -0.4488436E-01 1.086800  
1 1 1 34  6  6  o 13.28118  0.6177233     176.8512       23.02102  191.2651       23.10512      -0.5432603     1.235447  
1 1 1 34  6  7  o 8.363383  0.5553874     65.24254       12.81407  80.61233       13.06122      -0.9230852     1.110775  
1 1 1 34  6  8  o 4.203472  0.7966012     10.94498       10.62398  27.27068       10.02641      -1.612920      1.593202  
1 1 1 34  6  9  o 10.06639  0.5417641     115.1827       15.53957  98.81020       15.03090      0.7999640      1.083528  
1 1 1 34  6  10 o 3.290179  0.7496256     20.12004       8.999632  1.700340       9.097619      1.712903       1.499251  
1 1 1 34  6  11 o 1.881765  0.6229980     -11.92553      8.375285  -1.591187      8.815452      -0.5131168     1.245996  
1 1 1 34  6  12 o 5.143199  0.6474133     19.60853       8.888124  41.65833       9.182506      -2.153742      1.294827  
1 1 1 34  6  13 o 4.428752  0.7067634     30.78193       8.672661  17.28222       9.291905      1.503130       1.413527  
1 1 1 34  6  14 o 2.588656  0.7234673     12.57888       8.056380  1.696828       8.817904      0.8275513      1.446935  
1 1 1 34  6  15 o 2.115028  1.056454      -19.23087      18.37374  ?              ?             ?              ?         
1 1 1 34  6  16 o 2.308613  0.7099090     10.39817       8.869184  3.805468       8.720752      0.4167919      1.419818  
1 1 1 34  8  0  o 10.25757  1.812355      122.0196       35.82132  ?              ?             ?              ?         
1 1 1 34  8  1  o 6.475668  0.9745050     50.54940       16.24847  41.07544       19.07775      0.8133836      1.949010  
1 1 1 34  8  2  o 12.70375  0.6216099     147.3149       22.28540  186.9363       21.91190      -1.581069      1.243220  
1 1 1 34  8  3  f 11.26325  0.5859559     128.8261       18.11458  134.5652       18.98190      -0.2362520     1.171912  
1 1 1 34  8  4  o 9.329208  0.5692725     104.6070       14.57970  75.59003       14.89691      1.584918       1.138545  
1 1 1 34  8  5  o 9.626355  0.5678699     88.92332       15.60168  103.4250       14.99885      -0.7779629     1.135740  
1 1 1 34  8  6  o 6.753416  0.6580239     46.34502       12.22221  51.23159       12.22012      -0.3698202     1.316048  
1 1 1 34  8  7  o 6.937871  0.6252066     56.29470       11.96468  46.34295       11.92405      0.7315844      1.250413  
1 1 1 34  8  8  o 3.992729  0.8484614     13.24864       10.80281  22.82585       10.47468      -0.9304187     1.696923  
1 1 1 34  8  9  o 4.464033  0.8341849     20.68378       10.86934  26.31162       10.65455      -0.5738966     1.668370  
1 1 1 34  8  10 o 4.868498  0.7399362     31.60883       9.918184  23.31144       9.945177      0.8456245      1.479872  
1 1 1 34  8  11 o 4.213885  0.7773389     17.46430       9.322137  26.15679       9.632628      -0.9064417     1.554678  
1 1 1 34  8  12 o 2.660919  0.7669308     5.797959       8.680874  7.864837       9.556290      -0.2043582     1.533862  
1 1 1 34  8  13 o 2.057835  0.6687312     -2.697230      8.544928  -0.3608934     9.303223      -0.1877144     1.337462  
1 1 1 34  8  14 o 3.467184  0.8059780     18.67331       8.671391  18.01653       9.788612      0.1677637      1.611956  
1 1 1 34  8  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  8  16 o 2.410615  0.7211631     1.147405       9.835029  17.43234       9.194614      -0.9848856     1.442326  
1 1 1 34  10 0  o 4.100420  0.9433142     24.41056       12.56047  9.799712       13.94022      1.149476       1.886628  
1 1 1 34  10 1  o 4.863842  0.9401781     28.24092       13.28779  25.39664       13.34396      0.2579455      1.880356  
1 1 1 34  10 2  o 6.413714  0.7618881     45.06917       13.06506  44.52820       13.61825      0.6670785E-01  1.523776  
1 1 1 34  10 3  o 12.27767  0.6323656     168.9073       21.37385  147.3981       22.20078      0.9084114      1.264731  
1 1 1 34  10 4  o 8.754251  0.6008102     82.36771       14.62043  79.42364       14.75470      0.1744476      1.201620  
1 1 1 34  10 5  o 5.111117  0.8031258     16.53033       12.56934  40.50028       11.45625      -2.213223      1.606252  
1 1 1 34  10 6  o 8.504797  0.6268202     86.78428       15.04900  68.06392       14.52343      1.095096       1.253640  
1 1 1 34  10 7  o 4.009993  0.7936525     3.663056       10.42178  31.89466       11.27976      -2.550220      1.587305  
1 1 1 34  10 8  o 4.497463  0.8573915     22.10002       11.26142  26.46425       11.12874      -0.4357394     1.714783  
1 1 1 34  10 9  o 9.903399  0.5845683     114.4950       16.38286  100.2296       16.01938      0.7049245      1.169137  
1 1 1 34  10 10 o 2.131196  0.6980745     -3.018952      10.28734  -6.037756      9.724096      0.1952932      1.396149  
1 1 1 34  10 11 o 2.461353  0.7503032     -1.134158      9.496799  7.769913       10.01107      -0.5848163     1.500606  
1 1 1 34  10 12 o 2.031543  0.6795465     -7.216046      9.308115  -2.535862      11.52914      -0.3856130     1.359093  
1 1 1 34  10 13 o 4.691991  0.7790120     21.57593       9.839787  41.17899       11.01298      -1.775922      1.558024  
1 1 1 34  10 14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  10 15 f 3.041838  0.8182490     19.17090       9.596559  17.12496       9.955297      0.2074108      1.636498  
1 1 1 34  12 0  o 2.906014  0.9108455     4.413045       13.97229  -10.96303      16.82129      0.4045160      1.821691  
1 1 1 34  12 1  o 3.789110  0.9502484     25.97072       14.19632  1.464643       14.16602      1.714504       1.900497  
1 1 1 34  12 2  o 3.534662  0.9458119     -0.3688165     13.23686  23.31848       15.26536      -1.659231      1.891624  
1 1 1 34  12 3  o 2.098930  0.7085384     -2.908663      13.08392  -39.33110      13.87970      0.9015360      1.417077  
1 1 1 34  12 4  o 8.374331  0.6564361     86.90650       15.21489  64.40934       15.10619      1.365528       1.312872  
1 1 1 34  12 5  o 2.520945  0.8060722     -5.157880      12.93402  -1.773701      11.73718      -0.3227699E-01 1.612144  
1 1 1 34  12 6  o 2.911749  0.8732212     6.814769       12.85600  2.120680       12.22385      0.3194066      1.746442  
1 1 1 34  12 7  o 5.075058  0.8598072     25.61462       12.04176  36.91785       12.50499      -1.023926      1.719614  
1 1 1 34  12 8  o 2.904141  0.7988026     -9.296853      11.32109  19.56046       11.75767      -1.798055      1.597605  
1 1 1 34  12 9  o 5.018493  0.8065975     15.41178       12.47010  48.05360       12.14473      -2.900028      1.613195  
1 1 1 34  12 10 o 4.445092  0.8330057     36.07063       11.41639  16.87876       11.06242      1.798186       1.666011  
1 1 1 34  12 11 o 2.796692  0.8187321     5.699073       10.38170  12.98353       11.06574      -0.5038165     1.637464  
1 1 1 34  12 12 f 2.164804  0.7185016     -0.3043994     10.05948  -4.113589      12.56295      -0.2754008E-01 1.437003  
1 1 1 34  12 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  12 14 o 2.144496  0.7092118     4.247529       10.04772  1.801054       11.53096      0.4448051E-01  1.418424  
1 1 1 34  14 0  o 7.194273  0.9340282     64.62048       17.06202  58.44581       20.10424      0.6738170      1.868056  
1 1 1 34  14 1  o 5.630457  0.9566350     50.35825       15.18660  25.52093       16.67834      2.071014       1.913270  
1 1 1 34  14 2  o 4.337772  1.045367      27.67869       14.83630  18.50866       16.72461      0.6857323      2.090735  
1 1 1 34  14 3  o 5.885524  0.8801177     16.93251       15.23772  68.15318       15.79387      -3.914774      1.760235  
1 1 1 34  14 4  o 5.335697  0.9576705     35.49732       14.42588  36.65049       14.52632      -0.9298461E-01 1.915341  
1 1 1 34  14 5  o 2.450318  0.7892476     7.482345       14.51688  -17.92598      12.56675      1.157237       1.578495  
1 1 1 34  14 6  o 6.145031  0.8557671     52.02589       14.36569  41.14319       14.34257      0.8934018      1.711534  
1 1 1 34  14 7  o 2.463657  0.8035734     1.860095       13.26954  -8.581946      13.16033      0.4185220      1.607147  
1 1 1 34  14 8  o 4.369933  0.9553183     29.61609       13.03492  25.66397       13.04312      0.3497339      1.910637  
1 1 1 34  14 9  o 4.051973  0.9484525     29.36382       12.74194  21.01251       13.00846      0.7243957      1.896905  
1 1 1 34  14 10 o 3.042617  0.8834013     17.35713       12.43912  9.837443       12.22140      0.4759926      1.766803  
1 1 1 34  14 11 o 2.484491  0.7936671     10.72250       12.09570  0.8692577E-01  12.17491      0.4800233      1.587334  
1 1 1 34  14 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  16 0  o 3.610595  1.034842      27.81609       17.05030  -6.585249      21.06930      1.450451       2.069684  
1 1 1 34  16 1  o 3.239186  0.9835352     19.71461       16.40800  -11.43674      19.90543      1.114988       1.967070  
1 1 1 34  16 2  o 3.053139  0.9665667     -5.989604      16.10147  16.03931       19.98660      -1.050935      1.933133  
1 1 1 34  16 3  o 3.554603  0.9766700     -2.218309      16.02006  31.09161       16.49027      -1.844485      1.953340  
1 1 1 34  16 4  o 4.121926  0.9432098     47.33915       16.82891  -1.991734      14.97280      3.118598       1.886420  
1 1 1 34  16 5  o 4.492782  1.046967      39.01078       16.95778  24.74946       14.30799      0.9147655      2.093933  
1 1 1 34  16 6  o 4.640039  1.011605      25.20759       14.83920  41.79060       15.26913      -1.295468      2.023210  
1 1 1 34  16 7  o 3.772555  0.9987203     33.66214       15.41044  14.04226       15.05647      1.274253       1.997441  
1 1 1 34  16 8  o 3.591970  0.9137756     1.954373       14.70784  38.43069       14.45352      -2.237923      1.827551  
1 1 1 34  16 9  o 2.737895  0.8680978     7.577061       13.61615  11.92252       14.26058      -0.2032048     1.736196  
1 1 1 34  16 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  18 0  o 5.327252  1.212471      54.65575       19.12035  52.02763       24.75212      0.8458167      2.424942  
1 1 1 34  18 1  o 2.707851  0.9136212     -15.67735      18.16358  11.53990       22.26210      -0.8684440     1.827242  
1 1 1 34  18 2  o 8.079441  1.036213      100.0486       21.71601  97.30039       24.19647      0.6320828      2.072425  
1 1 1 34  18 3  o 2.604063  0.8775366     7.716229       18.45023  -15.69926      18.33108      0.6249658      1.755073  
1 1 1 34  18 4  o 2.612076  0.8562437     22.91589       19.14417  -24.51912      16.76114      1.449890       1.712487  
1 1 1 34  18 5  o 3.244588  0.9580913     -1.057361      18.35209  31.93903       16.00119      -1.470433      1.916183  
1 1 1 34  18 6  o 4.675786  1.076789      31.50922       17.64973  57.22510       17.51363      -1.813818      2.153577  
1 1 1 34  18 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  18 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  20 0  o 2.554112  0.8957498     -5.932603      21.49334  -4.011946      28.16513      -0.1756988     1.791500  
1 1 1 34  20 1  o 3.352226  1.150536      38.68530       28.29140  60.34221       45.56089      0.6437943E-01  2.301071  
1 1 1 34  20 2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  20 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  20 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  20 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 34  20 6  o 2.162642  0.7646650     -27.49169      20.76544  6.102240       18.97735      -0.4436943     1.529330  
1 1 1 35  1  0  o 3.432288  0.9793157     -8.770918      15.68973  17.71311       16.69184      -1.503977      1.958631  
1 1 1 35  1  1  o 6.108766  1.125343      40.04376       13.24247  ?              ?             ?              ?         
1 1 1 35  1  2  o 3.799224  1.625698      ?              ?         3.095044       21.97212      ?              ?         
1 1 1 35  1  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  1  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  1  5  o 13.74584  0.9054853     180.0722       35.00760  226.0096       34.27365      -1.719252      1.810971  
1 1 1 35  1  6  o 8.866707  0.7644529     82.53147       18.94176  85.96680       18.60425      -0.2088458     1.528906  
1 1 1 35  1  7  o 13.03847  0.8944105     173.6407       32.40598  200.1966       32.60078      -1.022904      1.788821  
1 1 1 35  1  8  f 2.786785  0.8733698     -17.79346      15.11358  7.934686       14.82864      -1.047744      1.746740  
1 1 1 35  1  9  o 5.432927  0.9610716     30.17089       14.58783  40.18491       15.01828      -0.8361306     1.922143  
1 1 1 35  1  10 o 6.240128  0.8673360     33.92162       14.57219  57.06630       15.10474      -1.831964      1.734672  
1 1 1 35  1  11 o 3.002882  0.8272344     5.071199       12.08150  10.59568       9.038433      -0.2366262     1.654469  
1 1 1 35  1  12 o 3.322867  0.7722612     15.43883       8.452442  11.38183       8.471396      0.4279380      1.544522  
1 1 1 35  1  13 o 2.440410  0.6265951     -15.79655      8.108175  16.89097       8.245931      -2.141341      1.253190  
1 1 1 35  1  14 o 6.523790  0.5903299     50.22895       10.62802  51.97061       10.65512      -0.1325015     1.180660  
1 1 1 35  1  15 o 2.037158  0.6401889     10.15479       8.880624  -12.01926      8.847394      1.086134       1.280378  
1 1 1 35  1  16 o 2.329923  0.7301772     6.917662       8.940370  6.990413       10.26203      -0.2938413E-01 1.460354  
1 1 1 35  3  0  o 11.42718  1.812123      148.3942       40.03450  ?              ?             ?              ?         
1 1 1 35  3  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  3  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  3  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  3  4  o 10.81753  0.6435762     106.1901       17.91420  139.3208       21.18557      -1.463769      1.287152  
1 1 1 35  3  5  o 15.90026  0.6924309     259.6687       31.10773  270.6226       30.86155      -0.3521642     1.384862  
1 1 1 35  3  6  o 8.938481  0.5389074     72.54133       13.39955  92.74835       13.46432      -1.141889      1.077815  
1 1 1 35  3  7  o 13.31521  0.6141254     174.2713       22.86638  198.0424       23.08045      -0.8912867     1.228251  
1 1 1 35  3  8  o 8.795074  0.5799236     83.90314       14.29460  79.75443       14.21746      0.2352915      1.159847  
1 1 1 35  3  9  o 3.135873  0.8215804     12.92610       10.28010  6.613480       9.341434      0.5995246      1.643161  
1 1 1 35  3  10 o 5.814330  0.6454170     32.07555       10.15853  42.25988       10.27228      -0.8947006     1.290834  
1 1 1 35  3  11 o 2.752087  0.7804434     15.23952       10.32878  -16.97269      13.28753      1.465429       1.560887  
1 1 1 35  3  12 o 3.638162  0.9230544     19.75618       12.09034  15.11828       12.20555      0.3781906      1.846109  
1 1 1 35  3  13 o 5.546730  0.8654366     31.34382       13.47527  51.57338       13.51908      -1.758866      1.730873  
1 1 1 35  3  14 o 2.226418  0.7387847     4.483454       12.62729  -9.137400      11.57544      0.5748218      1.477569  
1 1 1 35  3  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  3  16 o 1.992353  0.6840851     -17.05240      15.34850  2.105697       10.69375      -0.2371047     1.368170  
1 1 1 35  5  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  5  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  5  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  5  3  o 5.175622  0.8385609     20.77587       11.61574  37.80052       12.72781      -1.553678      1.677122  
1 1 1 35  5  4  o 20.01646  0.8571442     457.6493       48.39227  401.5825       48.07946      1.398086       1.714288  
1 1 1 35  5  5  f 3.155382  0.8288636     -0.6532396     11.11390  15.09935       10.36233      -1.149914      1.657727  
1 1 1 35  5  6  o 7.060518  0.6016811     51.93464       11.74315  53.43199       11.80214      -0.1056705     1.203362  
1 1 1 35  5  7  o 5.318637  0.7504925     37.26302       10.82719  24.32924       11.13531      1.237228       1.500985  
1 1 1 35  5  8  o 3.526246  0.8330510     4.139479       10.07134  22.28093       11.17876      -1.631177      1.666102  
1 1 1 35  5  9  o 2.237415  0.7189994     1.216274       10.41197  -9.993807      10.12048      0.5686885      1.437999  
1 1 1 35  5  10 o 7.855088  0.5603148     69.41061       12.32710  64.34959       12.21498      0.3197051      1.120630  
1 1 1 35  5  11 o 2.420354  0.7308050     -1.169730      8.911338  6.043834       9.167146      -0.4988265     1.461610  
1 1 1 35  5  12 o 3.537346  0.7997680     16.08035       8.938696  16.22841       9.141682      -0.8002579E-02 1.599536  
1 1 1 35  5  13 o 2.581559  0.7507786     8.618212       8.565898  4.432745       9.289292      0.2735247      1.501557  
1 1 1 35  5  14 o 2.059147  0.6668618     -2.518981      8.478146  2.318598       9.146175      -0.2998230     1.333724  
1 1 1 35  5  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  5  16 o 3.089548  0.7930264     23.00407       9.356967  13.67418       9.144208      0.8133088      1.586053  
1 1 1 35  7  0  o 8.451355  0.6689107     90.69397       14.90509  58.24269       15.87626      1.999012       1.337821  
1 1 1 35  7  1  o 5.814537  0.8184315     34.70425       13.25510  38.99699       12.75512      -0.3904965     1.636863  
1 1 1 35  7  2  o 4.144333  0.9135510     13.20799       12.77936  22.94074       11.67940      -0.8415310     1.827102  
1 1 1 35  7  3  o 5.031543  0.8572245     35.75421       11.89448  18.16172       13.55287      1.610648       1.714449  
1 1 1 35  7  4  o 8.565092  0.6603490     79.26027       14.57568  75.55528       17.20337      0.3091739      1.320698  
1 1 1 35  7  5  o 6.637652  0.6833633     43.04192       12.82675  50.90649       12.05993      -0.6416591     1.366727  
1 1 1 35  7  6  o 3.997756  0.9213932     12.58598       11.42552  23.75351       12.98080      -1.005461      1.842786  
1 1 1 35  7  7  o 6.028002  0.7256242     30.11291       11.86242  49.29148       11.87167      -1.637235      1.451248  
1 1 1 35  7  8  o 5.004701  0.8172358     23.30329       11.79116  34.01336       11.23911      -1.053537      1.634472  
1 1 1 35  7  9  o 2.468336  0.7226115     13.04253       10.74285  -17.23287      10.34745      1.640688       1.445223  
1 1 1 35  7  10 o 3.454966  0.8563128     6.779467       10.94984  20.84762       10.98943      -1.181540      1.712626  
1 1 1 35  7  11 o 9.071720  0.5526529     79.17207       13.75394  103.6602       14.16764      -1.334754      1.105306  
1 1 1 35  7  12 o 3.598531  0.8150979     20.02787       9.290375  14.72577       9.782232      0.5560000      1.630196  
1 1 1 35  7  13 o 2.484865  0.7338406     11.67400       8.985819  -0.8861043     9.490410      0.8052141      1.467681  
1 1 1 35  7  14 o 2.380054  0.7463300     11.40565       10.76295  -0.7329868     10.01164      0.6737539      1.492660  
1 1 1 35  7  15 o 1.736799  0.6109490     -11.19979      9.570452  -15.40299      14.31839      -0.2420146     1.221898  
1 1 1 35  9  0  o 4.834271  0.9405046     14.68238       13.26633  38.30272       14.65588      -2.007250      1.881009  
1 1 1 35  9  1  o 5.854359  0.8845762     45.67198       14.31782  30.40558       14.31130      1.289786       1.769152  
1 1 1 35  9  2  o 12.78240  0.6435659     168.9852       23.44677  175.7898       22.78912      -0.2882408     1.287132  
1 1 1 35  9  3  o 3.629080  0.9426462     5.937817       12.56184  19.98267       13.81532      -1.104471      1.885292  
1 1 1 35  9  4  o 10.98287  0.6015695     137.0642       18.55119  117.3373       18.45974      0.9025087      1.203139  
1 1 1 35  9  5  o 6.655864  0.7168714     49.42092       13.64489  48.10244       12.56505      0.4541082E-01  1.433743  
1 1 1 35  9  6  o 6.234570  0.7775154     30.79486       13.46608  55.45782       12.95127      -2.053371      1.555031  
1 1 1 35  9  7  o 2.737923  0.8249990     -0.4076632     11.41454  5.900423       11.29087      -0.3638737     1.649998  
1 1 1 35  9  8  o 8.377082  0.6213942     62.45535       14.15835  91.27617       14.46731      -1.735418      1.242788  
1 1 1 35  9  9  o 3.862884  0.9027627     16.92941       11.63368  20.69263       11.40664      -0.3435488     1.805525  
1 1 1 35  9  10 o 4.580667  0.8128028     19.92528       11.16228  32.41090       10.56559      -1.276746      1.625606  
1 1 1 35  9  11 o 3.674178  0.8449540     22.04484       10.07764  14.47883       10.53793      0.7385871      1.689908  
1 1 1 35  9  12 o 2.835870  0.7977331     14.20481       9.610859  5.444723       10.28014      0.6359027      1.595466  
1 1 1 35  9  13 o 4.911243  0.7937423     32.57904       10.32238  37.40171       11.28641      -0.3013954     1.587485  
1 1 1 35  9  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  9  15 o 2.710921  0.7656962     3.112099       9.914435  26.11009       10.68113      -1.464826      1.531392  
1 1 1 35  11 0  o 9.702319  0.7897082     106.7493       21.47107  101.7713       21.07651      0.2405408      1.579416  
1 1 1 35  11 1  o 4.092678  1.010915      13.44001       14.82995  23.74776       14.54872      -0.7693537     2.021831  
1 1 1 35  11 2  o 8.113277  0.7055743     66.09775       15.92715  77.06330       15.69095      -0.7013851     1.411149  
1 1 1 35  11 3  o 3.123618  0.9186723     11.61253       13.48484  -1.931012      14.31371      0.7003116      1.837345  
1 1 1 35  11 4  o 3.704220  0.9082107     1.660999       12.83145  26.39294       13.30157      -1.845401      1.816421  
1 1 1 35  11 5  o 4.567425  0.8412559     6.266447       13.33990  40.04535       12.44726      -2.811142      1.682512  
1 1 1 35  11 6  o 5.672269  0.8672047     28.07508       13.90351  48.00823       13.66551      -1.730607      1.734409  
1 1 1 35  11 7  o 3.055793  0.8316964     -6.927581      11.81001  20.52680       12.30624      -1.764021      1.663393  
1 1 1 35  11 8  o 3.300050  0.8494905     22.86003       11.68171  -0.8811341     12.06051      1.675527       1.698981  
1 1 1 35  11 9  o 2.795213  0.8280754     -5.278030      12.38752  14.98620       11.94032      -1.101131      1.656151  
1 1 1 35  11 10 o 3.270268  0.7710753     -9.681483      11.58644  29.62088       11.38083      -2.608266      1.542151  
1 1 1 35  11 11 o 2.585032  0.7987202     -0.5534940     10.69074  13.04536       12.37120      -0.8037167     1.597440  
1 1 1 35  11 12 o 3.165042  0.8585339     12.80550       10.44118  20.42645       11.36733      -0.5539902     1.717068  
1 1 1 35  11 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  11 14 f 3.453386  0.8888634     21.19672       10.55592  31.39380       12.17681      -0.5909837     1.777727  
1 1 1 35  13 0  o 4.883278  1.005908      3.005279       16.30992  56.78531       19.30723      -3.587130      2.011817  
1 1 1 35  13 1  o 3.178928  0.9646204     10.99466       15.82994  -1.240515      15.90761      0.5920545      1.929241  
1 1 1 35  13 2  o 9.163213  0.7170455     96.47839       18.26869  92.09195       18.26684      0.2425181      1.434091  
1 1 1 35  13 3  o 6.940871  0.8730901     33.14746       16.13828  82.91484       16.74800      -3.562641      1.746180  
1 1 1 35  13 4  o 5.558590  0.9326424     26.53692       14.76945  50.23560       15.06346      -1.959794      1.865285  
1 1 1 35  13 5  o 2.976772  0.8478627     22.94873       14.73677  -15.36782      12.93507      2.062398       1.695725  
1 1 1 35  13 6  o 6.026134  0.8821380     25.25351       15.86356  66.86234       15.03392      -3.318594      1.764276  
1 1 1 35  13 7  o 3.420518  0.9544687     15.21261       13.67811  14.17774       13.56235      0.7034899E-01  1.908937  
1 1 1 35  13 8  o 2.571639  0.8063084     11.84609       12.70038  -10.15739      12.88846      0.9788957      1.612617  
1 1 1 35  13 9  o 3.278635  0.8814168     2.344569       12.67726  26.93934       12.97582      -1.610345      1.762834  
1 1 1 35  13 10 f 2.691096  0.8305392     0.5401561      12.67157  14.06709       12.20068      -0.6734641     1.661078  
1 1 1 35  13 11 o 3.601287  0.9471350     26.19597       12.95696  22.73319       12.87219      0.2537675      1.894270  
1 1 1 35  13 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  15 0  o 6.755647  1.095750      63.26572       19.07020  64.09219       22.58422      0.3416067      2.191501  
1 1 1 35  15 1  o 3.396316  0.9964150     -4.886210      16.54566  27.58212       18.62043      -1.622414      1.992830  
1 1 1 35  15 2  o 5.595889  1.062187      38.75007       17.03541  49.48015       17.48116      -0.8077490     2.124374  
1 1 1 35  15 3  o 3.996217  1.071071      20.52343       16.63536  25.29243       16.74789      -0.3058966     2.142141  
1 1 1 35  15 4  o 3.221932  0.9544668     23.20432       16.41155  -2.517850      15.52756      1.305542       1.908934  
1 1 1 35  15 5  o 9.704798  0.7537321     124.8579       21.52184  107.9882       19.28544      0.6292833      1.507464  
1 1 1 35  15 6  o 2.581969  0.8304146     11.91100       14.22305  -15.22526      15.05120      0.9564915      1.660829  
1 1 1 35  15 7  o 3.952615  1.022341      35.85249       15.79547  17.78780       15.40916      1.203273       2.044682  
1 1 1 35  15 8  o 2.867652  0.8977336     13.63989       14.51312  6.252428       14.50289      0.3391914      1.795467  
1 1 1 35  15 9  o 3.972903  0.9508339     14.25385       14.08421  44.95634       14.82875      -2.114958      1.901668  
1 1 1 35  15 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  17 0  o 4.306708  1.196295      38.96894       19.84807  33.11304       24.18901      0.5222365      2.392590  
1 1 1 35  17 1  o 3.065565  0.9803653     22.30298       18.48828  -15.39968      22.45264      1.056259       1.960731  
1 1 1 35  17 2  o 4.254686  1.001637      -2.247219      18.36997  58.55519       18.99299      -3.290552      2.003275  
1 1 1 35  17 3  f 2.654237  0.8930322     -11.61682      18.78606  4.993880       18.43474      -0.4292861     1.786064  
1 1 1 35  17 4  o 3.313150  1.013093      32.66785       19.63503  5.247885       17.29444      1.174564       2.026186  
1 1 1 35  17 5  o 3.606247  1.016089      9.131586       19.52783  36.18395       16.21456      -1.446176      2.032179  
1 1 1 35  17 6  o 3.904064  1.053679      45.51050       17.66935  19.51159       17.23823      1.489640       2.107357  
1 1 1 35  17 7  o 2.642609  0.8859660     1.877303       18.52760  9.746682       17.24010      -0.1952239     1.771932  
1 1 1 35  17 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  19 0  o 2.178264  0.7793727     -12.63491      21.40597  -78.92561      28.46878      0.3689708      1.558745  
1 1 1 35  19 1  o 3.008733  1.010809      19.50956       21.59701  13.42751       25.90680      0.1504877      2.021619  
1 1 1 35  19 2  o 2.388451  0.8371825     5.378636       21.38105  -29.39155      22.15447      0.5362968      1.674365  
1 1 1 35  19 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  19 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  19 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 35  19 6  f 2.644370  0.8978500     10.45641       19.93375  18.07966       19.19240      -0.1883991     1.795700  
1 1 1 36  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  6  o 2.686340  1.608594      9.250155       15.41468  9.250155       15.41468      ?              ?         
1 1 1 36  0  7  o 4.986520  1.509171      32.41655       13.12760  32.41655       13.12760      ?              ?         
1 1 1 36  0  8  o 2.214035  1.350409      5.591762       11.28526  5.591762       11.28526      ?              ?         
1 1 1 36  0  9  o 13.00975  0.8620389     177.9177       22.20054  177.9177       22.20054      ?              ?         
1 1 1 36  0  10 o 1.364982  0.9547341     -8.397226      9.673098  -8.397226      9.673098      ?              ?         
1 1 1 36  0  11 o 3.267488  1.424648      17.14786       9.663531  17.14786       9.663531      ?              ?         
1 1 1 36  0  12 o 1.870694  1.166418      4.051298       8.871877  4.051298       8.871877      ?              ?         
1 1 1 36  0  13 o 5.946764  0.9211013     41.13008       10.17319  41.13008       10.17319      ?              ?         
1 1 1 36  0  14 o 3.650159  1.403361      21.97923       9.692451  21.97923       9.692451      ?              ?         
1 1 1 36  0  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  0  16 o 2.643327  1.377754      16.12335       9.500909  16.12335       9.500909      ?              ?         
1 1 1 36  2  0  o 4.505797  0.9862853     14.67440       14.84072  28.13306       13.86954      -1.084765      1.972571  
1 1 1 36  2  1  o 11.91252  0.6134021     149.8954       20.54354  144.5447       20.50307      0.2249613      1.226804  
1 1 1 36  2  2  o 3.000362  0.8718285     7.897870       12.33006  0.4910318      11.75176      0.5290005      1.743657  
1 1 1 36  2  3  o 9.031620  0.6678710     81.41222       15.36777  91.77920       18.68208      -0.4830576     1.335742  
1 1 1 36  2  4  o 21.29035  0.9345904     497.4243       56.02956  493.9760       55.97329      0.7928878E-01  1.869181  
1 1 1 36  2  5  o 5.397095  0.8051835     35.87703       12.23304  28.54057       11.57664      0.6517802      1.610367  
1 1 1 36  2  6  o 2.766772  0.8440207     -1.356784      10.45485  4.697512       14.31739      -0.7124292     1.688041  
1 1 1 36  2  7  o 6.819080  0.9047382     37.16530       16.90405  68.07568       16.89437      -2.297072      1.809476  
1 1 1 36  2  8  f 6.409428  1.020547      45.71786       18.36942  53.71417       17.85245      -0.6424216     2.041095  
1 1 1 36  2  9  o 5.597706  1.038324      38.23538       16.77595  41.47852       16.54349      -0.2769973     2.076647  
1 1 1 36  2  10 o 2.770960  0.8615302     -7.297622      13.09456  9.954976       14.42846      -0.9178065     1.723060  
1 1 1 36  2  11 o 3.536731  0.9698398     18.74083       13.44062  11.63581       14.77783      0.4524243      1.939680  
1 1 1 36  2  12 o 5.577010  0.9394665     41.86295       14.48651  44.82578       14.73209      -0.2227310     1.878933  
1 1 1 36  2  13 o 3.676706  0.9475497     25.89582       12.87448  17.26285       13.22242      0.6734231      1.895099  
1 1 1 36  2  14 o 3.483913  0.9380325     27.44102       13.31053  17.17517       12.76903      0.6996102      1.876065  
1 1 1 36  2  15 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  2  16 o 4.045815  0.8661557     31.43514       11.70645  33.15270       10.27821      -0.5106367     1.732311  
1 1 1 36  4  0  o 3.962415  0.9721541     15.75525       12.79904  16.46566       13.85580      -0.9803429E-01 1.944308  
1 1 1 36  4  1  o 10.02699  0.6094935     84.15738       16.79811  125.1320       16.98949      -2.066023      1.218987  
1 1 1 36  4  2  o 15.05377  0.6888176     246.3117       29.43076  229.5674       28.89184      0.5446592      1.377635  
1 1 1 36  4  3  o 2.865082  0.8367872     -9.093097      11.61085  12.68135       13.14835      -1.402572      1.673574  
1 1 1 36  4  4  o 12.27256  0.6331003     165.5018       22.06731  150.6417       21.55564      0.5945870      1.266201  
1 1 1 36  4  5  o 6.327806  0.7185547     46.84005       12.82867  40.14004       12.00589      0.5056757      1.437109  
1 1 1 36  4  6  o 14.46283  0.6513336     231.9161       26.51746  212.7691       26.45879      0.6631792      1.302667  
1 1 1 36  4  7  o 2.663908  0.8109422     2.715541       10.96374  -0.1485076     11.20694      0.1431738      1.621884  
1 1 1 36  4  8  o 7.858916  0.6460273     73.51068       13.99908  60.45180       14.07480      0.8512528      1.292055  
1 1 1 36  4  9  o 5.931482  0.7306783     31.94588       11.98968  47.10700       11.62240      -1.340121      1.461357  
1 1 1 36  4  10 o 1.981569  0.6599238     -1.670872      9.948836  -15.62331      9.967260      0.5392103      1.319848  
1 1 1 36  4  11 o 2.823510  0.7955937     6.921850       9.502547  8.975607       9.625434      -0.1658204     1.591187  
1 1 1 36  4  12 o 6.423937  0.6149021     44.21935       10.71335  52.53051       10.98885      -0.6323580     1.229804  
1 1 1 36  4  13 o 2.684173  0.7684408     9.266130       8.930017  8.000046       9.215891      0.9015991E-01  1.536882  
1 1 1 36  4  14 o 2.185682  0.6980512     6.344769       9.133736  -2.719693      9.771347      0.4214843      1.396102  
1 1 1 36  4  15 o 2.738407  0.8656241     20.03534       13.29926  8.847461       15.22031      0.5124789      1.731248  
1 1 1 36  6  0  o 9.584364  0.6544369     102.8173       16.94179  89.58840       18.08728      0.7349159      1.308874  
1 1 1 36  6  1  o 5.024936  0.9604685     23.91976       15.71804  31.89251       13.14004      -0.7160992     1.920937  
1 1 1 36  6  2  o 5.054915  0.9075803     36.77463       13.86340  20.98870       12.52667      1.393738       1.815161  
1 1 1 36  6  3  o 7.719744  0.7007987     59.74405       14.28093  68.43481       15.65494      -0.5196791     1.401597  
1 1 1 36  6  4  o 6.578018  0.7710016     49.68534       13.07306  44.49128       14.80279      0.4868000      1.542003  
1 1 1 36  6  5  o 3.754535  0.9164056     12.93011       12.39503  17.07566       11.45972      -0.3243973     1.832811  
1 1 1 36  6  6  o 2.922100  0.8455019     2.621915       11.43356  7.642406       10.96942      -0.2978652     1.691004  
1 1 1 36  6  7  o 6.055095  0.7602852     30.04285       12.45626  51.68042       12.57302      -1.823340      1.520570  
1 1 1 36  6  8  o 3.897530  0.9191227     21.14521       11.75984  14.71228       12.33336      0.5579854      1.838245  
1 1 1 36  6  9  f 6.420089  0.7247051     59.10883       12.91877  35.16058       12.19816      1.867975       1.449410  
1 1 1 36  6  10 o 4.603853  0.7606467     9.001905       11.80437  41.34148       10.73349      -2.949594      1.521293  
1 1 1 36  6  11 o 5.465524  0.7167076     52.59233       10.61414  20.54433       11.06563      2.940333       1.433415  
1 1 1 36  6  12 f 2.909664  0.7904027     4.145975       9.534166  16.99014       9.914278      -1.018099      1.580805  
1 1 1 36  6  13 o 3.495675  0.7631883     5.812856       9.517573  29.34622       9.907107      -2.108840      1.526377  
1 1 1 36  6  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  6  15 o 2.059073  0.6674850     -6.416111      9.297791  11.68173       10.01924      -0.8420150     1.334970  
1 1 1 36  8  0  o 3.471590  0.9670453     3.023021       13.56508  16.81232       15.30600      -0.9890442     1.934091  
1 1 1 36  8  1  o 2.773508  0.8682038     3.547749       14.05221  -7.562418      13.44199      0.5809473      1.736408  
1 1 1 36  8  2  o 6.945475  0.7839050     41.68415       15.45741  62.51011       14.22745      -1.611333      1.567810  
1 1 1 36  8  3  o 9.680352  0.6614989     105.8644       17.38221  93.93553       18.37544      0.6639471      1.322998  
1 1 1 36  8  4  o 2.144674  0.7294566     -20.19370      12.58463  -12.09862      13.52431      -0.3452816     1.458913  
1 1 1 36  8  5  o 6.555767  0.7712272     41.03815       14.32296  53.81691       13.30996      -1.064448      1.542454  
1 1 1 36  8  6  o 4.918237  0.8985240     36.01473       13.21704  21.71304       12.35565      1.272470       1.797048  
1 1 1 36  8  7  o 5.157581  0.8524243     39.95107       12.45524  22.66554       12.64025      1.588349       1.704849  
1 1 1 36  8  8  f 2.310057  0.7493675     1.631897       10.95303  -13.48915      12.24022      0.4978905      1.498735  
1 1 1 36  8  9  o 3.991637  0.9124514     15.41415       12.32437  25.64212       11.85784      -0.9088590     1.824903  
1 1 1 36  8  10 o 7.179124  0.7137434     40.05213       13.68195  82.90589       12.96050      -3.152384      1.427487  
1 1 1 36  8  11 o 2.359579  0.7483527     3.786179       10.21467  -1.554582      10.65464      0.2387465      1.496705  
1 1 1 36  8  12 o 3.392228  0.7850667     1.918300       10.19530  30.49170       10.94572      -2.275309      1.570133  
1 1 1 36  8  13 o 2.715967  0.9095879     37.16990       22.84238  -17.79217      19.74318      1.339698       1.819176  
1 1 1 36  8  14 o 2.249585  1.049695      3.814042       11.61512  ?              ?             ?              ?         
1 1 1 36  10 0  o 4.062292  1.008465      28.29746       14.97378  5.217061       16.45609      1.520077       2.016930  
1 1 1 36  10 1  o 4.119198  0.9501922     35.94136       15.34474  -3.947804      15.83606      2.607995       1.900384  
1 1 1 36  10 2  o 4.709504  0.9601143     38.04860       14.63140  14.04885       14.23850      1.964326       1.920229  
1 1 1 36  10 3  o 5.902759  0.9131002     25.37859       14.70562  57.00462       15.83231      -2.508318      1.826200  
1 1 1 36  10 4  o 6.071712  0.8888537     37.60159       14.36127  49.40026       15.16547      -0.9181010     1.777707  
1 1 1 36  10 5  f 4.593778  0.9484163     21.71534       14.10030  29.65936       12.68977      -0.7421823     1.896833  
1 1 1 36  10 6  o 2.997830  0.9091988     -4.007506      13.87906  12.89116       15.05962      -0.9329565     1.818398  
1 1 1 36  10 7  o 4.503148  0.9575956     25.64515       13.27339  27.46164       13.11721      -0.1693288     1.915191  
1 1 1 36  10 8  o 3.342306  0.9028291     16.75661       11.59566  9.122726       12.75300      0.5324353      1.805658  
1 1 1 36  10 9  o 3.550589  0.9354128     14.18960       12.94081  20.12576       12.49633      -0.4508416     1.870826  
1 1 1 36  10 10 o 2.428982  0.7801081     5.590059       12.29041  -3.603233      11.39040      0.4779269      1.560216  
1 1 1 36  10 11 o 4.445533  0.8486525     40.63281       11.77614  17.91944       12.16473      2.087961       1.697305  
1 1 1 36  10 12 o 2.848379  0.8250055     3.538449       11.09702  21.90911       11.89499      -1.142010      1.650011  
1 1 1 36  10 13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  10 14 o 2.362082  0.7633609     5.215157       10.78750  14.87500       12.22661      -0.4278173     1.526722  
1 1 1 36  12 0  o 2.484761  0.8477802     -13.38397      16.46618  -28.74351      19.84616      0.8305314E-01  1.695560  
1 1 1 36  12 1  o 4.253644  1.093071      20.27234       16.89591  25.43766       17.20008      -0.3504867     2.186143  
1 1 1 36  12 2  o 3.599082  0.9582544     -2.264786      15.47047  26.13629       14.80897      -1.697113      1.916509  
1 1 1 36  12 3  o 3.250189  0.9157004     24.39437       15.26753  -17.44943      16.44175      1.939951       1.831401  
1 1 1 36  12 4  o 3.503707  0.9898241     14.67578       15.37723  11.77819       14.30733      0.2148252      1.979648  
1 1 1 36  12 5  o 4.069451  1.028453      32.03839       17.25582  14.74782       13.60902      1.198697       2.056906  
1 1 1 36  12 6  o 6.078431  1.017390      49.60538       17.05634  51.54047       17.38237      -0.1166104     2.034780  
1 1 1 36  12 7  o 3.297419  0.9136111     25.33927       14.22132  -0.8627859     13.80777      1.574565       1.827222  
1 1 1 36  12 8  o 2.480440  0.7791665     13.89802       13.07005  -18.32451      13.05790      1.305647       1.558333  
1 1 1 36  12 9  o 3.300129  0.9103636     24.78787       13.10542  6.757233       13.28817      1.170791       1.820727  
1 1 1 36  12 10 o 3.257528  0.9218684     22.83595       13.39831  12.89746       12.80448      0.6304200      1.843737  
1 1 1 36  12 11 o 2.727795  0.9585573     25.11457       29.13594  -17.19842      28.70213      0.5848911      1.917115  
1 1 1 36  12 12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  14 0  o 3.409702  1.061252      4.502023       18.22459  16.32774       21.91959      -0.6042941     2.122504  
1 1 1 36  14 1  o 5.310397  1.114990      32.21168       17.17028  51.32733       19.30949      -1.269383      2.229979  
1 1 1 36  14 2  f 9.906390  0.7939579     117.1257       21.91853  120.3847       21.78431      -0.1798594     1.587916  
1 1 1 36  14 3  o 7.651944  0.9228058     73.25453       19.15788  78.74593       19.33588      -0.3455238     1.845612  
1 1 1 36  14 4  o 3.947936  1.024641      12.12400       16.97886  31.31346       15.29631      -1.261160      2.049282  
1 1 1 36  14 5  o 4.679905  1.067781      32.63388       17.54111  35.66804       15.20462      -0.4197603     2.135563  
1 1 1 36  14 6  o 3.812565  1.032620      6.601849       17.65361  39.29420       17.62431      -1.805294      2.065240  
1 1 1 36  14 7  o 2.221858  0.7600375     1.550511       15.60694  -25.92432      15.18922      0.7145126      1.520075  
1 1 1 36  14 8  o 2.597995  0.8342590     -9.320191      14.73740  15.55037       14.31127      -0.9312847     1.668518  
1 1 1 36  14 9  o 2.719115  0.8522600     22.07578       14.37220  -5.788927      14.89951      1.134627       1.704520  
1 1 1 36  14 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  16 0  o 3.981913  1.151501      38.89563       20.09697  16.69192       24.60867      1.088729       2.303003  
1 1 1 36  16 1  o 2.610162  0.8957977     -20.49025      19.04152  1.919575       22.96332      -0.6767613     1.791595  
1 1 1 36  16 2  o 4.462058  1.116078      53.60130       19.79710  19.68285       18.85232      1.998725       2.232156  
1 1 1 36  16 3  o 2.854356  0.9304476     20.19273       19.29472  -13.25901      18.52750      1.071814       1.860895  
1 1 1 36  16 4  o 6.008806  1.188835      87.95612       24.35656  50.10374       18.46848      1.606189       2.377670  
1 1 1 36  16 5  o 3.541569  1.029453      11.75013       19.60918  33.11766       16.63055      -1.108346      2.058907  
1 1 1 36  16 6  o 3.069520  0.9785409     25.05758       18.10253  5.825144       19.17332      0.7006096      1.957082  
1 1 1 36  16 7  o 2.386708  0.8202204     3.921670       18.07505  -10.67161      17.09579      0.3738443      1.640441  
1 1 1 36  16 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  18 0  o 3.475755  1.117132      29.31860       20.86500  37.14920       28.65749      0.1258891E-01  2.234263  
1 1 1 36  18 1  o 2.587965  0.9029481     2.815558       21.76632  -19.70216      27.32033      0.2106933      1.805896  
1 1 1 36  18 2  o 2.806850  0.9426601     -6.884791      21.92925  23.49259       20.58475      -0.7339308     1.885320  
1 1 1 36  18 3  o 2.433872  0.8562075     -43.05565      26.44404  9.428220       22.37901      -0.6080544     1.712415  
1 1 1 36  18 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 36  18 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  1  0  o 4.817638  1.124505      36.73415       17.61143  7.147641       22.51138      1.701731       2.249010  
1 1 1 37  1  1  o 5.972544  1.343622      40.36810       15.66006  ?              ?             ?              ?         
1 1 1 37  1  2  o 9.485791  0.9846278     99.71677       24.79992  102.4600       26.55629      -0.6623779E-01 1.969256  
1 1 1 37  1  3  o 6.242428  1.130456      52.76460       20.01245  38.94967       20.49671      1.025688       2.260912  
1 1 1 37  1  4  o 10.35790  0.9381526     103.2654       28.45930  133.4603       25.09920      -1.671515      1.876305  
1 1 1 37  1  5  o 5.071933  1.138476      40.12718       20.41398  23.86855       16.84979      1.145950       2.276953  
1 1 1 37  1  6  f 3.260161  0.9789676     2.372423       15.87355  7.357254       15.68311      -0.2417775     1.957935  
1 1 1 37  1  7  o 14.61090  1.065349      214.7636       42.60400  299.7329       43.09591      -2.927257      2.130698  
1 1 1 37  1  8  o 4.383658  1.058751      41.07107       18.24858  4.460305       17.75263      2.310968       2.117503  
1 1 1 37  1  9  o 3.748004  1.056500      9.190023       17.04420  22.66575       17.39887      -0.7769330     2.113001  
1 1 1 37  1  10 o 3.244575  0.9417892     -0.5652514     14.18184  21.52325       15.64254      -1.275031      1.883578  
1 1 1 37  1  11 o 2.113658  0.7061895     -23.00286      13.66710  0.6848975E-01  10.29924      -0.4237088     1.412379  
1 1 1 37  1  12 o 2.128612  0.6914238     -4.295839      9.619526  0.7384184      9.516572      -0.2287843     1.382848  
1 1 1 37  1  13 o 4.267979  0.8099694     28.74320       9.996491  24.18487       10.05802      0.4830672      1.619939  
1 1 1 37  1  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  1  15 o 3.224977  0.8194669     11.85121       10.26094  29.07947       10.56157      -1.373843      1.638934  
1 1 1 37  3  0  o 9.311949  0.6810563     79.74728       17.14464  103.7957       18.03628      -1.281751      1.362113  
1 1 1 37  3  1  o 7.353159  0.7320727     51.81754       14.61456  63.96204       14.87589      -0.8366825     1.464145  
1 1 1 37  3  2  o 3.633090  0.9190100     23.71151       13.73695  -0.2455499     12.94110      1.756124       1.838020  
1 1 1 37  3  3  o 7.934890  0.7121490     73.76409       15.23984  60.47744       15.90191      0.8845885      1.424298  
1 1 1 37  3  4  o 6.108432  0.8286526     20.12113       13.92466  64.33115       14.40997      -3.512574      1.657305  
1 1 1 37  3  5  o 3.150258  0.8287250     -12.31090      12.73009  20.40552       12.01707      -1.964233      1.657450  
1 1 1 37  3  6  o 9.349081  0.5951202     98.27049       15.62869  87.89566       15.47126      0.5539520      1.190240  
1 1 1 37  3  7  o 8.304788  0.6269354     72.71366       14.46279  76.92101       14.52366      -0.2535148     1.253871  
1 1 1 37  3  8  o 2.672898  0.8319851     -4.136716      12.32795  4.819828       12.46373      -0.4649421     1.663970  
1 1 1 37  3  9  o 1.921522  0.6609337     -13.91902      11.91155  -17.44509      10.96836      0.2061836      1.321867  
1 1 1 37  3  10 o 2.135564  0.6999510     -14.97127      10.64610  2.405121       10.89867      -0.7310321     1.399902  
1 1 1 37  3  11 o 2.311296  0.7704908     0.3632332      12.21374  -17.64196      15.08163      0.3480074      1.540982  
1 1 1 37  3  12 o 2.680343  0.8558040     8.797594       13.36423  -0.9143658     14.74330      0.3465306      1.711608  
1 1 1 37  3  13 o 2.990610  0.8993835     7.578608       13.47869  21.03083       13.93892      -0.7210831     1.798767  
1 1 1 37  3  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  3  15 o 2.381971  0.7737105     -7.773015      14.24181  21.86313       13.12705      -1.022024      1.547421  
1 1 1 37  5  0  o 4.208393  1.010201      15.61014       13.99905  23.60505       14.93497      -0.6499509     2.020402  
1 1 1 37  5  1  o 4.173558  0.9853557     15.38268       13.81830  22.91861       13.77670      -0.6129540     1.970711  
1 1 1 37  5  2  o 12.96853  0.6654797     170.2174       24.44462  186.4912       24.01192      -0.6463849     1.330959  
1 1 1 37  5  3  o 2.605626  0.8420648     -6.113750      13.34063  -6.340611      14.40949      -0.1002469     1.684130  
1 1 1 37  5  4  o 3.668892  0.9481425     20.41929       12.81119  3.643182       14.73281      1.081788       1.896285  
1 1 1 37  5  5  f 5.850251  0.8356855     42.44136       13.83651  36.00337       12.87379      0.4983368      1.671371  
1 1 1 37  5  6  o 4.016580  0.9226898     14.96254       12.52223  22.25646       11.88629      -0.6378917     1.845380  
1 1 1 37  5  7  o 4.248657  0.9242908     18.53038       12.25965  25.29092       12.33143      -0.6120442     1.848582  
1 1 1 37  5  8  o 8.949911  0.6392378     92.57031       15.74924  84.77937       16.14555      0.4657435      1.278476  
1 1 1 37  5  9  o 2.156588  0.7247620     -9.487309      12.12476  -10.32543      11.92785      0.4850862E-01  1.449524  
1 1 1 37  5  10 f 3.098764  0.8142303     -1.924944      11.47684  20.55557       10.72862      -1.559751      1.628461  
1 1 1 37  5  11 o 2.615336  0.7956971     3.897375       10.73705  6.654217       10.58645      -0.1561333     1.591394  
1 1 1 37  5  12 o 2.368099  0.7374608     -3.706383      9.934875  9.976274       10.38453      -0.7685851     1.474922  
1 1 1 37  5  13 o 2.898542  0.8087782     6.682466       10.11605  19.36635       10.48908      -0.9248690     1.617556  
1 1 1 37  5  14 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  7  0  o 4.074482  1.020865      23.96983       14.59216  10.75547       15.99109      0.9017622      2.041730  
1 1 1 37  7  1  o 3.566474  0.9279155     -6.836451      14.90556  24.75023       14.17374      -1.909425      1.855831  
1 1 1 37  7  2  o 4.052326  1.006757      21.26686       14.97186  15.68642       13.74419      0.4552799      2.013514  
1 1 1 37  7  3  o 3.153432  0.9334903     -0.6487894     13.47158  11.83555       15.28220      -0.8276813     1.866981  
1 1 1 37  7  4  o 6.765570  0.8295180     39.26751       14.49094  64.67346       15.91165      -1.840215      1.659036  
1 1 1 37  7  5  o 12.23683  0.6552420     158.9834       22.91686  166.4656       22.11149      -0.3467404     1.310484  
1 1 1 37  7  6  o 2.251452  0.7502099     -12.31581      12.86616  -7.646350      11.96632      -0.6895593E-01 1.500420  
1 1 1 37  7  7  o 3.358431  0.9219261     9.645340       12.46762  14.05597       12.70581      -0.3232782     1.843852  
1 1 1 37  7  8  o 3.192871  0.9000131     7.996338       11.50535  13.56712       13.12745      -0.4468371     1.800026  
1 1 1 37  7  9  o 4.611605  0.9079543     37.71082       13.06924  19.16606       12.55546      1.621549       1.815909  
1 1 1 37  7  10 o 2.864228  0.8504061     11.17692       12.23656  5.522830       11.21734      0.3902223      1.700812  
1 1 1 37  7  11 o 3.109856  0.7532782     -9.325002      10.47700  29.28747       11.35514      -2.592722      1.506556  
1 1 1 37  7  12 o 2.360006  0.7450656     10.56806       10.58850  -5.083612      11.06235      0.7358895      1.490131  
1 1 1 37  7  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  7  14 o 2.120128  0.7036926     -1.073141      10.38619  6.693219       11.16362      -0.3349368     1.407385  
1 1 1 37  9  0  o 7.922262  0.8659724     46.18517       17.38745  98.92604       19.13349      -3.316494      1.731945  
1 1 1 37  9  1  o 6.831777  0.9105192     71.09357       17.23969  37.44213       16.82591      2.463615       1.821038  
1 1 1 37  9  2  o 6.245585  0.8820978     73.66811       16.69676  20.66504       14.77355      3.951960       1.764196  
1 1 1 37  9  3  o 3.809017  0.9892740     25.49480       14.76147  4.399038       15.47360      1.375340       1.978548  
1 1 1 37  9  4  o 6.612719  0.8613311     44.12609       14.98113  58.72117       15.98127      -1.050638      1.722662  
1 1 1 37  9  5  o 4.278559  0.9772131     15.17666       14.80789  29.45106       13.49547      -1.152917      1.954426  
1 1 1 37  9  6  o 5.578476  0.9309994     45.87093       15.47906  33.40566       13.53006      0.9091516      1.861999  
1 1 1 37  9  7  o 2.525479  0.8187832     -6.500309      13.36385  0.2971311      13.28809      -0.2693327     1.637566  
1 1 1 37  9  8  o 2.834841  0.8503684     -3.870439      12.12663  15.76553       13.52968      -1.141749      1.700737  
1 1 1 37  9  9  o 5.412783  0.9220440     42.91227       14.19545  38.83902       13.70963      0.2955280      1.844088  
1 1 1 37  9  10 o 2.272576  0.7493495     5.494662       12.78153  -11.22106      11.90668      0.6904902      1.498699  
1 1 1 37  9  11 o 2.718910  0.8390171     4.368129       13.44813  12.01924       11.54114      -0.3447658     1.678034  
1 1 1 37  9  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  9  13 o 2.173278  0.7244601     4.263264       11.08316  -0.3418775     12.21520      0.1233438      1.448920  
1 1 1 37  11 0  o 4.492163  1.170093      36.24363       19.82234  16.20366       21.17733      1.171904       2.340186  
1 1 1 37  11 1  o 7.504029  0.9329783     84.02126       19.17812  51.83403       18.84203      2.171431       1.865957  
1 1 1 37  11 2  f 3.742381  0.9434074     -7.874554      15.89903  33.04367       15.48294      -2.392436      1.886815  
1 1 1 37  11 3  o 2.476573  0.8346675     -7.456152      15.89863  -19.90146      16.76858      0.2774483      1.669335  
1 1 1 37  11 4  o 3.304124  0.9413062     23.41951       15.32539  -6.920173      15.69407      1.574791       1.882612  
1 1 1 37  11 5  o 7.111020  0.8363050     62.26651       16.75555  61.93995       15.75737      -0.7753724E-01 1.672610  
1 1 1 37  11 6  o 3.509178  0.9579270     29.43600       16.13870  3.000623       13.52062      1.677871       1.915854  
1 1 1 37  11 7  o 2.558706  0.8239186     12.09235       15.22296  -17.13641      14.20892      1.142648       1.647837  
1 1 1 37  11 8  o 3.824154  0.9782137     29.69412       13.77959  14.63340       15.05308      1.106845       1.956427  
1 1 1 37  11 9  o 2.440074  0.8024031     -1.368297      13.28997  0.8660641      13.50964      -0.9618021E-01 1.604806  
1 1 1 37  11 10 o 2.608338  0.8368686     4.156241       13.93242  7.930332       12.96389      -0.1297485     1.673737  
1 1 1 37  11 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  11 12 f 2.089339  0.7043858     -15.23703      12.15090  13.17131       13.45397      -0.9060612     1.408772  
1 1 1 37  13 0  o 2.678978  0.9108878     -6.041524      18.82197  -27.07190      22.57663      0.2413071      1.821776  
1 1 1 37  13 1  o 9.408554  0.9268265     73.91946       22.31174  151.7784       23.32310      -4.153329      1.853653  
1 1 1 37  13 2  o 8.254786  0.9211091     56.45592       20.16159  118.1532       20.02398      -3.849928      1.842218  
1 1 1 37  13 3  o 4.342416  1.128879      33.08392       18.06222  25.75619       18.68598      0.4909922      2.257758  
1 1 1 37  13 4  o 4.475228  1.073478      42.93914       17.20655  18.75246       17.66198      1.662590       2.146955  
1 1 1 37  13 5  o 4.504825  1.088373      31.85563       18.07204  33.94559       15.72202      -0.3183092     2.176746  
1 1 1 37  13 6  o 3.587494  1.013931      11.43920       18.02298  26.67811       15.12956      -0.8721461     2.027862  
1 1 1 37  13 7  o 3.352712  0.9918752     25.91156       16.54188  10.73994       15.83612      0.7838525      1.983750  
1 1 1 37  13 8  o 3.994552  1.058944      28.57442       15.67777  34.66389       16.73199      -0.3134020     2.117887  
1 1 1 37  13 9  o 2.150402  0.7426299     -7.269844      14.65861  -10.73385      15.09581      0.5728331E-01  1.485260  
1 1 1 37  13 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  15 0  f 4.052503  1.176558      39.72676       20.77133  21.16768       25.40724      0.9457707      2.353115  
1 1 1 37  15 1  o 5.809332  1.155884      78.45514       21.06366  39.42542       24.19993      2.846408       2.311769  
1 1 1 37  15 2  o 5.611325  1.174689      48.18050       20.46012  62.98080       20.16195      -1.095649      2.349377  
1 1 1 37  15 3  o 4.088121  1.151236      33.65842       20.08220  32.44059       19.88526      0.5507952E-01  2.302473  
1 1 1 37  15 4  o 3.690610  1.089429      28.60276       18.98643  23.71018       19.00084      0.2410516      2.178858  
1 1 1 37  15 5  o 3.419138  1.042414      27.30520       19.99886  18.14146       16.87072      0.3456511      2.084829  
1 1 1 37  15 6  o 3.254893  0.9714451     0.1343342      19.36807  34.49332       16.66297      -1.465292      1.942890  
1 1 1 37  15 7  o 2.442802  0.8384326     1.805150       18.70896  -5.612943      17.59260      0.2072531      1.676865  
1 1 1 37  15 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  17 0  o 4.150734  1.261421      51.10587       24.02982  62.03891       30.55171      0.1298283      2.522842  
1 1 1 37  17 1  o 3.913544  1.201201      49.23208       23.02621  43.02666       28.35640      0.5662665      2.402402  
1 1 1 37  17 2  o 2.761687  0.9244649     33.28558       22.30427  -22.08548      21.78489      1.277276       1.848930  
1 1 1 37  17 3  o 2.476250  0.8620747     15.57652       22.48680  -29.51132      22.21515      0.7826340      1.724149  
1 1 1 37  17 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 37  17 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  0  6  o 7.027928  1.762329      63.45610       21.42647  63.45610       21.42647      ?              ?         
1 1 1 38  0  7  o 3.483443  1.592334      19.71196       12.07425  19.71196       12.07425      ?              ?         
1 1 1 38  0  8  o 5.135870  1.563635      36.01242       14.02144  36.01242       14.02144      ?              ?         
1 1 1 38  0  9  f 4.298244  1.650453      28.70894       13.41330  28.70894       13.41330      ?              ?         
1 1 1 38  0  10 o 1.521983  1.057670      -7.125694      11.35483  -7.125694      11.35483      ?              ?         
1 1 1 38  0  11 o 2.105071  1.305446      6.514971       10.96219  6.514971       10.96219      ?              ?         
1 1 1 38  0  12 o 1.352235  0.9569919     -9.421395      10.64585  -9.421395      10.64585      ?              ?         
1 1 1 38  0  13 o 1.964908  1.396024      -7.258612      23.43529  -7.258612      23.43529      ?              ?         
1 1 1 38  2  0  o 8.994578  0.7659029     108.3179       18.18070  66.39957       19.00965      2.434985       1.531806  
1 1 1 38  2  1  o 8.963891  0.7004216     89.53017       17.39221  83.42930       17.51052      0.3499705      1.400843  
1 1 1 38  2  2  o 5.164889  0.9780043     37.74966       15.07416  24.69544       14.42118      1.095942       1.956009  
1 1 1 38  2  3  o 4.535380  0.9764850     33.95385       14.58156  12.94776       14.40983      1.695692       1.952970  
1 1 1 38  2  4  o 6.011677  0.8895657     24.29160       15.15666  58.64766       15.20683      -2.752906      1.779131  
1 1 1 38  2  5  o 3.211799  0.9333791     10.36689       13.65448  3.806218       13.80328      0.3836440      1.866758  
1 1 1 38  2  6  o 6.066102  0.9134788     41.06915       13.24000  49.36993       18.44339      -0.3073806     1.826958  
1 1 1 38  2  7  o 3.406602  1.005081      5.081034       16.06998  13.98531       16.48581      -0.4920712     2.010162  
1 1 1 38  2  8  o 4.635936  1.148441      38.60734       18.96487  22.22252       19.35290      1.076708       2.296883  
1 1 1 38  2  9  o 2.502769  0.8549485     -14.57891      18.14264  -17.41020      18.50632      0.4145950E-01  1.709897  
1 1 1 38  2  10 o 3.047045  0.9407425     -4.382005      16.50139  18.25795       16.17138      -0.9720353     1.881485  
1 1 1 38  2  11 o 2.794007  0.8694819     -12.58917      14.65775  22.72892       16.41173      -1.490365      1.738964  
1 1 1 38  2  12 o 2.793429  0.8845507     17.41936       14.56862  -2.176504      15.97496      0.7601081      1.769101  
1 1 1 38  2  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  4  0  o 6.399007  0.9431661     39.09884       15.82186  55.68750       17.23684      -1.218448      1.886332  
1 1 1 38  4  1  o 4.653341  1.021650      27.39315       14.80618  23.78453       14.96349      0.2992830      2.043299  
1 1 1 38  4  2  o 4.887052  0.9733724     15.98394       15.40883  38.47794       14.59304      -1.832970      1.946745  
1 1 1 38  4  3  o 8.638194  0.7216620     92.34769       17.01502  69.66125       17.29959      1.358432       1.443324  
1 1 1 38  4  4  f 6.859573  0.8409996     70.14740       15.63942  36.37544       15.61236      2.518354       1.681999  
1 1 1 38  4  5  o 3.199609  0.9090957     -1.322012      14.22596  14.63318       12.53477      -0.8575483     1.818191  
1 1 1 38  4  6  o 2.965576  0.8818064     8.751254       13.12584  1.851467       12.23502      0.4710722      1.763613  
1 1 1 38  4  7  o 5.836902  0.8551123     44.63522       13.39164  36.91329       14.03090      0.7131484      1.710225  
1 1 1 38  4  8  o 2.510333  0.7866856     -17.31856      12.45809  11.09561       13.37004      -1.292659      1.573371  
1 1 1 38  4  9  o 3.127097  0.8840656     18.86651       12.55060  0.3010891E-01  13.20766      1.134494       1.768131  
1 1 1 38  4  10 o 2.668699  0.8223911     6.420190       12.32184  3.500444       11.06059      0.2324526      1.644782  
1 1 1 38  4  11 o 2.511748  0.7902060     3.625837       11.32753  3.965914       11.26474      -0.1385328E-01 1.580412  
1 1 1 38  4  12 o 3.110531  0.7639569     -5.367915      10.62102  29.87918       11.16353      -2.400574      1.527914  
1 1 1 38  4  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  6  0  o 4.462125  1.061994      30.11825       15.81558  15.99281       17.04484      1.016566       2.123988  
1 1 1 38  6  1  o 9.119610  0.8430395     69.08921       22.03350  115.6705       19.01703      -2.820270      1.686079  
1 1 1 38  6  2  o 2.609466  0.8542617     -4.859835      15.52510  -10.62228      14.43098      0.3132952      1.708523  
1 1 1 38  6  3  f 3.209458  0.9310663     -8.666306      14.43878  19.66725       16.10210      -1.592141      1.862133  
1 1 1 38  6  4  f 5.170572  1.021758      31.44468       14.61844  36.03966       16.54800      -0.2927644     2.043517  
1 1 1 38  6  5  o 7.678893  0.7550371     67.24577       16.62708  67.06712       15.36081      -0.7505550E-01 1.510074  
1 1 1 38  6  6  o 2.445366  0.7969168     -0.8773304     13.32886  -9.319155      12.48764      0.4196228      1.593834  
1 1 1 38  6  7  o 4.426894  0.9729037     21.13842       13.48573  30.58841       13.78713      -0.7955624     1.945807  
1 1 1 38  6  8  o 4.792583  0.9650876     27.51610       13.15326  35.56824       14.37645      -0.6151511     1.930175  
1 1 1 38  6  9  o 3.942865  0.8903400     36.91422       13.51476  4.896987       12.88229      2.405605       1.780680  
1 1 1 38  6  10 o 4.029505  0.8610126     8.320957       13.07700  36.42544       12.08519      -2.290163      1.722025  
1 1 1 38  6  11 o 2.653224  0.8224631     10.39328       11.81501  3.536609       12.07298      0.3502884      1.644926  
1 1 1 38  6  12 o 2.331393  0.7592651     -0.9749054     11.26050  6.857997       12.06953      -0.3702755     1.518530  
1 1 1 38  6  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  8  0  o 6.740057  0.9888199     53.91466       17.46657  57.45918       19.10497      -0.1388728     1.977640  
1 1 1 38  8  1  o 6.099473  1.020377      50.62829       17.69211  42.09772       16.99790      0.6225399      2.040753  
1 1 1 38  8  2  o 5.161649  1.032069      42.42750       16.67694  25.52497       15.35576      1.311690       2.064138  
1 1 1 38  8  3  o 3.549042  0.9986773     21.83438       15.69299  -0.7855026E-01 16.67072      1.184398       1.997355  
1 1 1 38  8  4  f 6.110905  0.9658338     52.39905       15.83667  39.68076       17.24512      1.122606       1.931668  
1 1 1 38  8  5  o 6.422172  0.8838156     38.05882       16.42310  60.99155       15.08424      -1.909542      1.767631  
1 1 1 38  8  6  o 4.827961  1.045743      34.05037       18.39353  31.23509       13.87373      -0.4159085E-01 2.091486  
1 1 1 38  8  7  o 2.944853  0.9015474     1.089221       14.03315  10.60303       14.02463      -0.4805536     1.803095  
1 1 1 38  8  8  f 2.801905  0.8598415     -4.119719      12.77185  15.17910       14.23549      -1.033153      1.719683  
1 1 1 38  8  9  o 3.735492  0.9824212     18.89838       14.57447  24.47939       13.52649      -0.4386391     1.964842  
1 1 1 38  8  10 o 3.313692  0.9336382     21.50577       13.81999  14.22800       12.66109      0.4523557      1.867276  
1 1 1 38  8  11 o 2.457206  0.7946652     -0.6510124     12.85399  8.510024       12.28149      -0.3613277     1.589330  
1 1 1 38  8  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  8  13 o 2.444213  0.7858707     14.06717       11.73028  5.475416       12.48171      0.3774497      1.571741  
1 1 1 38  10 0  o 3.186744  0.9949107     10.81363       17.02143  -5.691107      19.23753      0.5387189      1.989821  
1 1 1 38  10 1  o 6.665776  1.027285      52.14995       19.13959  62.20415       18.63123      -0.7920808     2.054570  
1 1 1 38  10 2  o 3.558867  1.025157      15.34696       16.28562  11.31737       16.26732      0.2287726      2.050313  
1 1 1 38  10 3  o 3.760058  1.060853      11.62239       16.77632  22.73991       17.67694      -0.6540724     2.121706  
1 1 1 38  10 4  o 4.136826  1.069637      19.09609       16.14436  28.64717       16.81397      -0.6398704     2.139274  
1 1 1 38  10 5  o 3.818093  0.9578207     2.580895       15.48690  32.69501       14.63231      -1.949334      1.915641  
1 1 1 38  10 6  o 3.607224  0.9840946     5.104926       16.91895  26.61142       14.47209      -1.244313      1.968189  
1 1 1 38  10 7  o 3.564810  1.013741      20.43706       16.02847  17.00216       15.30778      0.1996880      2.027483  
1 1 1 38  10 8  o 2.633758  0.8545359     2.646473       13.77569  1.541369       15.23134      -0.3083358E-01 1.709072  
1 1 1 38  10 9  o 2.675718  0.8487291     -3.079044      13.70206  15.38320       14.28083      -0.8127741     1.697458  
1 1 1 38  10 10 o 2.925668  0.9041610     11.80445       14.70119  15.62697       13.81609      -0.1890797     1.808322  
1 1 1 38  10 11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  12 0  o 8.158461  1.073956      91.68208       22.32290  94.36493       25.95063      0.3224304      2.147913  
1 1 1 38  12 1  o 4.143855  1.136585      32.86239       19.49307  19.54273       19.23570      0.7538006      2.273170  
1 1 1 38  12 2  o 7.146327  0.9977238     87.53810       19.86983  50.63209       19.47516      2.534492       1.995448  
1 1 1 38  12 3  o 6.631582  0.9530711     104.6332       19.77979  21.44668       20.39697      5.422748       1.906142  
1 1 1 38  12 4  o 4.851879  1.095829      23.96693       17.86229  51.92709       18.44125      -1.911886      2.191659  
1 1 1 38  12 5  o 3.308877  0.9906427     23.13826       17.45639  7.040292       15.43186      0.8335443      1.981285  
1 1 1 38  12 6  o 2.633805  0.8769497     -4.209050      18.62340  0.3901781      15.42971      0.1872358E-01  1.753899  
1 1 1 38  12 7  o 4.899910  1.052496      26.05539       18.14508  59.75371       17.54635      -2.416882      2.104992  
1 1 1 38  12 8  o 4.797976  1.066090      33.24956       15.87416  55.27568       17.37741      -1.440233      2.132181  
1 1 1 38  12 9  o 2.935849  1.041764      29.99661       44.40814  10.74155       32.35133      0.1812954      2.083528  
1 1 1 38  12 10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  14 0  o 6.419413  1.320876      65.84715       23.23863  96.79225       28.13971      -1.147348      2.641753  
1 1 1 38  14 1  o 3.941330  1.150205      37.35503       20.67378  21.23990       22.25327      0.7959566      2.300409  
1 1 1 38  14 2  o 2.733107  0.9213770     0.5842860      19.98243  -6.082752      19.54541      0.1903558      1.842754  
1 1 1 38  14 3  o 3.506040  1.080544      27.33814       20.41607  15.93739       20.21321      0.4676870      2.161089  
1 1 1 38  14 4  o 4.136551  1.097356      54.17448       20.01417  14.85315       19.69235      2.079742       2.194711  
1 1 1 38  14 5  o 3.446326  1.044672      16.10739       20.67900  28.79704       17.37693      -0.6260001     2.089345  
1 1 1 38  14 6  o 2.403605  0.8212772     14.39345       19.63490  -21.91360      16.77862      0.9570341      1.642554  
1 1 1 38  14 7  o 2.929965  1.044830      54.92159       43.88083  -7.760362      35.58238      0.5810338      2.089661  
1 1 1 38  14 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  16 0  o 2.909516  1.002172      0.9743646      23.55900  22.16641       29.66951      -0.4417667     2.004344  
1 1 1 38  16 1  o 4.182253  1.168364      3.356189       23.40700  107.3328       29.85002      -3.335252      2.336728  
1 1 1 38  16 2  o 3.930815  1.141976      66.73002       23.54131  20.30438       22.62586      1.872135       2.283952  
1 1 1 38  16 3  f 2.781981  0.9520602     1.835038       23.09091  14.59867       22.99022      -0.2654475     1.904120  
1 1 1 38  16 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 38  16 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  1  0  o 5.052738  1.269769      42.76557       22.61832  19.48534       25.46620      1.296848       2.539539  
1 1 1 39  1  1  o 9.480544  1.096004      112.0880       22.96553  109.8275       45.13132      1.804709       2.192008  
1 1 1 39  1  2  o 7.451092  1.248513      62.35491       25.96814  81.70379       26.15356      -1.226090      2.497027  
1 1 1 39  1  3  o 3.089104  1.015587      -4.024870      21.86715  -14.05687      21.18156      0.3439802      2.031174  
1 1 1 39  1  4  o 9.142153  1.092692      110.2312       29.58677  100.1751       25.40660      0.2051220      2.185384  
1 1 1 39  1  5  o 4.702264  1.214937      42.78689       23.56346  19.43316       19.77407      1.345902       2.429875  
1 1 1 39  1  6  o 3.218557  1.005101      12.08457       18.85443  -4.298633      17.89745      0.7245193      2.010201  
1 1 1 39  1  7  o 5.060348  1.038614      58.13036       18.62926  9.663423       19.06375      3.197145       2.077229  
1 1 1 39  1  8  f 4.059739  1.112571      45.67300       21.75685  0.9358348      20.39764      2.176836       2.225141  
1 1 1 39  1  9  o 3.386733  1.039960      -0.8220304     19.12289  27.88172       20.38372      -1.192674      2.079919  
1 1 1 39  1  10 o 3.082566  0.9623709     -5.214887      18.26653  23.46076       17.54949      -1.099040      1.924742  
1 1 1 39  1  11 o 2.575705  0.8345966     7.621924       15.81814  1.667995       12.00507      0.3956030      1.669193  
1 1 1 39  1  13 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  3  0  o 3.799522  1.014154      28.07433       16.56914  -4.414375      17.53761      1.796227       2.028308  
1 1 1 39  3  1  o 3.193192  0.9470845     15.52874       15.63331  -7.293621      15.51435      1.157733       1.894169  
1 1 1 39  3  2  o 4.627633  1.072483      28.77066       16.89815  24.55315       15.55405      0.3077518      2.144967  
1 1 1 39  3  3  o 4.902548  1.055437      31.49483       15.97872  29.09070       15.93400      0.1921897      2.110875  
1 1 1 39  3  4  o 5.974003  0.9328896     59.56671       15.93866  25.96827       16.28294      2.663666       1.865779  
1 1 1 39  3  5  o 3.512617  0.9326270     -7.290056      15.06501  27.44227       15.01302      -2.022201      1.865254  
1 1 1 39  3  6  o 2.984257  0.8931174     -0.8506108     13.59233  11.23335       13.21166      -0.6391172     1.786235  
1 1 1 39  3  7  o 2.401677  0.7862991     2.090132       13.64904  -12.58117      12.51736      0.6658468      1.572598  
1 1 1 39  3  8  o 3.241992  0.8903089     25.01204       13.69247  -6.329120      14.23044      1.770585       1.780618  
1 1 1 39  3  9  o 3.444730  0.9547462     12.62069       13.24930  20.37431       14.09170      -0.5182710     1.909492  
1 1 1 39  3  10 o 2.823201  0.8345143     -6.198826      13.29098  19.22271       12.38768      -1.288784      1.669029  
1 1 1 39  3  11 o 2.484506  0.8264620     -2.101590      12.20847  7.742498       18.44132      -0.5825832     1.652924  
1 1 1 39  3  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  5  0  o 3.471506  0.9952584     -10.85948      16.77130  26.04108       18.55069      -1.889632      1.990517  
1 1 1 39  5  1  o 5.117114  1.047943      42.18353       16.53786  22.93994       16.77789      1.507356       2.095885  
1 1 1 39  5  2  o 3.772609  0.9771042     -4.479298      16.72538  29.07749       15.35262      -1.937181      1.954208  
1 1 1 39  5  3  o 3.142676  0.8973240     23.11128       15.58359  -22.57085      16.08780      2.037517       1.794648  
1 1 1 39  5  4  o 4.101190  1.036433      11.10599       14.94844  31.53046       16.93584      -1.428592      2.072865  
1 1 1 39  5  5  o 6.510331  0.9172979     60.57817       16.70035  43.42644       15.90518      1.258876       1.834596  
1 1 1 39  5  6  o 5.344458  0.9667953     38.60786       14.84627  36.22470       14.50336      0.1769876      1.933591  
1 1 1 39  5  7  o 2.750905  0.8586662     8.744045       13.64544  -3.568486      13.19275      0.6194204      1.717332  
1 1 1 39  5  8  o 2.214885  0.7545415     -10.32842      13.39273  -14.70907      14.76368      0.5952842E-02  1.509083  
1 1 1 39  5  9  o 6.142736  0.8822349     71.11811       15.26590  32.68661       15.48953      3.052855       1.764470  
1 1 1 39  5  10 f 2.395800  0.7893035     -0.4323100     13.67885  -0.9679912     12.46487      0.9336077E-01  1.578607  
1 1 1 39  5  11 o 4.965463  0.9404597     42.76448       13.22638  38.01280       13.93696      0.5548897      1.880919  
1 1 1 39  5  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  7  0  o 11.72934  0.7785990     153.6087       24.77860  161.6163       26.34200      -0.2395885     1.557198  
1 1 1 39  7  1  o 7.233962  0.9655503     78.06525       19.53400  49.77380       18.52020      1.903026       1.931101  
1 1 1 39  7  2  o 4.025808  1.070509      26.26033       17.78138  14.51268       15.78591      0.7829557      2.141017  
1 1 1 39  7  3  o 3.503862  1.036932      17.96099       16.15175  -1.590307      20.69187      0.7042921      2.073865  
1 1 1 39  7  4  o 4.429797  1.080336      27.74714       15.84740  25.77036       17.14734      0.1765301      2.160672  
1 1 1 39  7  5  o 5.797410  0.9793503     49.20226       16.98298  40.19523       14.82996      0.5324638      1.958701  
1 1 1 39  7  6  o 4.368037  0.9951532     40.45320       15.81615  13.56870       14.48407      1.978638       1.990306  
1 1 1 39  7  7  o 4.097328  1.012619      16.37055       14.83809  33.54827       15.30794      -1.235726      2.025238  
1 1 1 39  7  8  o 7.040697  0.8805478     56.09269       16.36718  76.73418       17.29478      -1.366790      1.761096  
1 1 1 39  7  9  o 3.417541  0.9611205     9.587379       14.15552  28.48357       15.16312      -1.128317      1.922241  
1 1 1 39  7  10 o 2.919806  0.8913845     7.045116       14.31047  16.88994       13.23512      -0.4937738     1.782769  
1 1 1 39  7  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  7  12 o 2.313801  0.8034825     4.050593       17.90836  -5.669185      18.47886      0.1809056      1.606965  
1 1 1 39  9  0  o 6.294779  1.140929      50.54137       19.13584  61.83165       21.85163      -0.5577935     2.281857  
1 1 1 39  9  1  o 4.165442  1.064798      40.39164       18.60650  4.379835       18.04360      2.120390       2.129596  
1 1 1 39  9  2  o 3.026638  0.9639485     8.359147       18.54313  -3.619724      16.64207      0.5739712      1.927897  
1 1 1 39  9  3  o 2.800879  0.9015743     -22.19039      17.16832  13.90133       18.24706      -1.272238      1.803149  
1 1 1 39  9  4  o 3.498522  1.037427      11.54236       16.69372  16.94338       17.99978      -0.3045774     2.074855  
1 1 1 39  9  5  o 5.937272  1.015021      48.61016       17.13693  50.68298       16.61661      -0.2290655     2.030042  
1 1 1 39  9  6  o 3.004028  0.9554590     13.30934       19.84198  2.099154       14.82067      0.6314964      1.910918  
1 1 1 39  9  7  f 2.554814  0.8598147     -3.649482      16.49937  -7.297118      17.66766      0.3692181E-01  1.719629  
1 1 1 39  9  8  o 2.829508  0.8914234     14.32673       14.33165  0.1519636      15.49465      0.5733380      1.782847  
1 1 1 39  9  9  o 2.318598  0.7834442     -0.5309346     13.51058  -7.965991      15.73178      0.9523874E-01  1.566888  
1 1 1 39  9  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  9  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  11 0  o 3.602174  1.139389      9.506984       23.23913  20.86720       24.60508      -0.4131138     2.278777  
1 1 1 39  11 1  o 8.081282  1.029472      93.39842       22.80594  88.18987       22.51456      0.2877641      2.058944  
1 1 1 39  11 2  o 3.925230  1.076481      7.169621       19.41597  37.38257       18.48651      -1.608411      2.152962  
1 1 1 39  11 3  o 3.166570  0.9794139     26.02318       18.75383  -13.93110      19.61366      1.442819       1.958828  
1 1 1 39  11 4  o 2.344551  0.8121935     -15.84729      18.10398  -21.23677      18.30328      0.9804338E-01  1.624387  
1 1 1 39  11 5  o 3.509967  1.034075      23.02643       17.91072  15.99398       16.26116      0.3538893      2.068151  
1 1 1 39  11 6  o 3.421048  0.9928629     41.44254       19.56440  -0.1072512     15.97463      1.944032       1.985726  
1 1 1 39  11 7  o 3.727116  1.060995      40.00312       18.59775  17.45457       17.31235      1.147339       2.121989  
1 1 1 39  11 8  o 2.279794  0.7744074     -23.95620      15.72419  10.92962       16.18823      -0.9006288     1.548815  
1 1 1 39  11 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  13 0  o 3.417053  1.077368      38.00552       22.48832  -12.91803      27.12067      1.437084       2.154736  
1 1 1 39  13 1  o 3.323124  1.047879      33.23190       21.70175  -3.066787      21.87329      1.230697       2.095759  
1 1 1 39  13 2  o 2.940354  0.9717918     -5.243066      20.72445  14.79919       20.23819      -0.5645196     1.943584  
1 1 1 39  13 3  o 3.820043  1.141878      17.03357       21.02231  47.86662       23.48874      -1.225694      2.283756  
1 1 1 39  13 4  f 3.993916  1.104604      14.41053       20.75807  53.06286       20.49734      -1.900708      2.209208  
1 1 1 39  13 5  o 3.136745  0.9582635     43.94605       20.54188  -10.24018      17.62197      1.985699       1.916527  
1 1 1 39  13 6  o 3.979892  1.126176      47.41639       20.65666  31.61652       18.11764      0.6155049      2.252351  
1 1 1 39  13 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  13 8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 39  15 0  o 3.682309  1.181264      21.51480       25.27294  75.76689       30.95041      -1.305701      2.362527  
1 1 1 39  15 1  o 2.680743  0.9329216     5.236173       23.28158  -11.02907      27.29832      0.1819266      1.865843  
1 1 1 39  15 2  o 2.775310  0.9441007     27.89218       23.47041  -12.19088      22.29372      0.8839404      1.888201  
1 1 1 39  15 3  o 3.303106  1.093564      59.02321       28.60001  13.13762       24.64223      1.040279       2.187128  
1 1 1 39  15 4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  0  6  o 3.957687  2.236197      34.69299       27.12944  34.69299       27.12944      ?              ?         
1 1 1 40  0  7  o 4.195267  1.699815      28.77518       13.95111  28.77518       13.95111      ?              ?         
1 1 1 40  0  8  o 2.588625  1.554130      12.04365       14.46232  12.04365       14.46232      ?              ?         
1 1 1 40  0  9  o 2.871743  1.652030      17.25678       15.18393  17.25678       15.18393      ?              ?         
1 1 1 40  0  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  2  0  o 3.683027  0.9679251     34.70670       17.59808  -22.35564      18.48958      2.659861       1.935850  
1 1 1 40  2  1  o 3.265691  0.9709955     -8.829531      16.67197  18.95846       16.85467      -1.325292      1.941991  
1 1 1 40  2  2  o 5.762434  1.079607      38.77153       18.23701  47.42919       17.75413      -0.7039581     2.159214  
1 1 1 40  2  3  o 2.330539  0.8019756     -27.53255      16.90736  -16.54085      16.99958      -0.2615784     1.603951  
1 1 1 40  2  4  o 3.268463  0.9744935     16.85787       15.95738  -2.803591      16.53917      0.9402670      1.948987  
1 1 1 40  2  5  o 2.245202  0.7748482     -26.61442      16.21251  -15.98957      16.08953      -0.2323525     1.549696  
1 1 1 40  2  6  f 3.483580  1.017936      3.135091       14.89055  27.85744       19.90374      -1.404443      2.035873  
1 1 1 40  2  7  o 5.068696  1.209466      44.59540       20.32466  41.18007       20.89872      0.2716847      2.418932  
1 1 1 40  2  8  o 3.377362  1.055613      9.574956       18.25697  20.05804       21.69590      -0.4676436     2.111226  
1 1 1 40  2  9  o 2.936029  0.9705322     19.99139       21.03897  -13.66806      21.47361      0.9097361      1.941064  
1 1 1 40  2  10 o 3.488237  1.056452      11.60743       20.11561  37.46076       19.54296      -1.105972      2.112905  
1 1 1 40  2  12 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  4  0  o 5.212538  1.143476      25.91623       18.46233  48.57652       19.92674      -1.553242      2.286952  
1 1 1 40  4  1  o 5.188354  1.113436      32.40935       17.83202  39.96672       17.88077      -0.5715014     2.226873  
1 1 1 40  4  2  o 2.627733  0.8766394     -16.99924      17.67185  -5.794818      16.59232      -0.2458629     1.753279  
1 1 1 40  4  3  o 3.082790  0.9667224     9.312567       17.32402  -4.153879      16.82468      0.5938151      1.933445  
1 1 1 40  4  4  o 4.171624  1.014821      37.26291       16.14655  4.095956       17.48490      2.102360       2.029642  
1 1 1 40  4  5  o 3.642300  1.016902      7.636500       16.55383  23.36947       15.70508      -0.9084767     2.033805  
1 1 1 40  4  6  o 6.119021  0.9458946     55.24740       16.34894  43.88784       15.50116      0.8197875      1.891789  
1 1 1 40  4  7  o 3.034377  0.9086613     18.64546       14.88295  -0.9252726     13.80218      1.061490       1.817323  
1 1 1 40  4  8  f 2.744358  0.8795996     -3.266991      14.48708  10.53230       15.61030      -0.6126058     1.759199  
1 1 1 40  4  9  o 5.739206  1.001202      52.30302       15.96656  50.74359       16.36381      0.1959872      2.002404  
1 1 1 40  4  10 o 4.564463  0.9445803     21.44327       15.34402  49.23786       14.16443      -2.292443      1.889161  
1 1 1 40  4  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  6  0  o 4.704699  1.171780      24.42969       18.70604  39.69452       20.60514      -0.9416518     2.343559  
1 1 1 40  6  1  o 8.042644  0.9586661     97.76739       21.80610  63.44196       19.96005      2.013838       1.917332  
1 1 1 40  6  2  o 3.254431  1.005170      2.396567       18.65918  9.660673       16.70452      -0.2182275     2.010339  
1 1 1 40  6  3  o 5.731768  1.040499      61.35081       17.96519  27.09056       18.77887      2.580127       2.080998  
1 1 1 40  6  4  o 3.487408  1.028403      18.77383       16.58140  6.451365       17.97701      0.5828922      2.056806  
1 1 1 40  6  5  o 3.339610  1.003922      16.26906       16.99561  7.193222       16.42865      0.4666147      2.007843  
1 1 1 40  6  6  o 3.638440  1.007423      10.68873       16.55509  24.98822       14.98825      -0.8598154     2.014846  
1 1 1 40  6  7  o 8.546829  0.7863729     85.23006       18.99593  99.21854       18.01356      -0.9676322     1.572746  
1 1 1 40  6  8  o 2.788130  0.8819404     -8.324055      15.01586  19.77412       16.34776      -1.162559      1.763881  
1 1 1 40  6  9  o 4.554347  1.029410      42.99953       14.80549  31.01872       16.62431      1.144185       2.058821  
1 1 1 40  6  10 o 2.533674  0.8300952     16.05373       15.35607  -5.626773      14.33741      0.7967362      1.660190  
1 1 1 40  6  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  8  0  o 3.522283  1.083353      12.93499       18.98162  11.01114       21.52636      0.5992356E-02  2.166705  
1 1 1 40  8  1  o 4.779539  1.151618      21.48193       20.27794  47.59519       19.62801      -1.683678      2.303236  
1 1 1 40  8  2  o 2.775270  0.9222326     -7.706538      19.60408  -4.508233      17.46865      0.3800130E-01  1.844465  
1 1 1 40  8  3  o 4.686211  1.151515      32.27845       18.36555  37.25079       19.03081      -0.3012047     2.303029  
1 1 1 40  8  4  o 4.051643  1.108763      29.64092       17.57161  20.81517       19.30390      0.5501484      2.217525  
1 1 1 40  8  5  o 3.049942  0.9643388     11.12817       17.52876  3.523791       16.70572      0.3393184      1.928678  
1 1 1 40  8  6  o 3.345518  1.000737      9.120296       17.81283  20.74454       15.81797      -0.5519825     2.001473  
1 1 1 40  8  7  o 4.025406  1.070943      28.63654       17.75071  30.18800       15.72710      -0.2296096     2.141886  
1 1 1 40  8  8  o 2.214272  0.7575765     6.018274       16.01486  -28.77142      15.65972      0.8488207      1.515153  
1 1 1 40  8  9  o 2.529542  0.8339713     -9.591063      14.82950  18.71017       16.67633      -0.9758131     1.667943  
1 1 1 40  8  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  10 0  o 2.923780  0.9748952     7.602402       20.46399  -15.72971      22.65034      0.5124429      1.949790  
1 1 1 40  10 1  o 4.299857  1.191777      32.38689       21.48277  33.20554       20.76607      -0.7234348E-01 2.383553  
1 1 1 40  10 2  o 2.967469  0.9654672     -8.330509      19.20490  13.82357       19.32394      -0.7254207     1.930934  
1 1 1 40  10 3  o 3.020291  0.9985459     5.310869       19.34108  -0.4054502     23.60528      0.1452519E-01  1.997092  
1 1 1 40  10 4  o 2.496006  0.8581115     -8.043317      18.89438  -17.96844      19.70178      0.1710916      1.716223  
1 1 1 40  10 5  o 2.789238  0.9172754     0.6739579      18.80524  5.065346       16.46478      -0.5356152E-01 1.834551  
1 1 1 40  10 6  o 3.059371  0.9835178     15.74106       20.42124  10.30070       16.98562      0.2309424      1.967036  
1 1 1 40  10 7  o 2.372404  0.8002740     -36.29036      18.74298  14.37086       16.57834      -1.057944      1.600548  
1 1 1 40  10 9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  12 0  o 3.158433  1.059436      -3.055019      23.24385  29.11456       28.68635      -0.8304476     2.118872  
1 1 1 40  12 1  o 2.729989  0.9315144     8.344978       22.14961  -17.01633      21.77488      0.5704223      1.863029  
1 1 1 40  12 2  o 3.137933  1.021028      24.00318       21.62224  1.780005       21.12395      0.6969266      2.042057  
1 1 1 40  12 3  o 2.937307  0.9429793     37.46869       21.51237  -49.08329      25.36789      1.849985       1.885959  
1 1 1 40  12 4  o 2.962571  0.9795560     22.94149       21.15982  -1.779668      20.84160      0.7056893      1.959112  
1 1 1 40  12 5  o 3.099360  1.000242      18.19255       20.79232  16.75387       18.31932      0.3587196E-01  2.000483  
1 1 1 40  12 6  o 2.339561  0.8182267     -6.874924      21.50384  -12.71442      18.39045      0.2175272      1.636453  
1 1 1 40  12 7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 40  14 0  o 3.107588  1.064677      12.92780       26.02356  36.14184       31.95616      -0.3916502     2.129353  
1 1 1 40  14 1  o 3.092777  1.035333      33.35769       24.48077  8.500695       24.59174      0.6028933      2.070666  
1 1 1 40  14 2  o 3.660233  1.154828      50.08683       24.83824  34.18049       24.18414      0.5062510      2.309656  
1 1 1 40  14 3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  1  0  o 4.517763  1.328489      29.32597       25.55414  30.78639       31.14123      -0.5381579E-01 2.656978  
1 1 1 41  1  1  o 4.764746  1.373779      27.98701       21.12187  62.98521       46.73610      -0.9006422     2.747558  
1 1 1 41  1  2  o 3.475748  1.136826      19.32734       28.22336  -17.79177      26.85990      1.028050       2.273651  
1 1 1 41  1  3  o 4.189538  1.252007      13.67872       26.47785  34.87210       25.84908      -0.8372571     2.504014  
1 1 1 41  1  4  o 3.645258  1.137333      30.45679       25.84771  -1.613089      22.35751      1.219713       2.274666  
1 1 1 41  1  5  f 3.085174  1.035633      -9.960583      27.13579  -1.430602      22.28321      0.5725113E-02  2.071265  
1 1 1 41  1  6  o 5.342519  1.323671      60.17116       25.89537  49.70662       23.63269      0.4059915      2.647342  
1 1 1 41  1  7  o 2.687808  0.9143475     -4.608982      19.87358  -12.30026      21.14057      0.1174763      1.828695  
1 1 1 41  1  8  o 2.710001  0.9256284     0.2844041      19.68193  -14.26639      24.11338      0.1388815      1.851257  
1 1 1 41  1  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  3  0  o 3.208368  1.014411      15.13437       19.27605  -12.39155      20.74512      0.9049790      2.028821  
1 1 1 41  3  1  o 3.873066  1.104608      15.03798       18.52274  22.20214       18.93458      -0.3926728     2.209216  
1 1 1 41  3  2  o 3.178434  1.004766      4.986527       19.38817  3.515417       17.65217      0.1455702      2.009531  
1 1 1 41  3  3  o 2.338859  0.8045681     -47.27677      18.72488  -3.659092      18.37048      -0.8734599     1.609136  
1 1 1 41  3  4  o 3.101607  0.9806856     1.522565       17.68309  8.214153       17.70477      -0.2680100     1.961371  
1 1 1 41  3  5  o 9.394900  0.8514843     120.6778       22.12322  101.7927       21.91765      1.003812       1.702969  
1 1 1 41  3  6  o 2.212456  0.7522654     3.808897       16.72148  -41.43792      15.73784      1.118511       1.504531  
1 1 1 41  3  7  o 2.903230  0.9055396     13.90737       14.88820  0.7572013      14.86088      0.5990279      1.811079  
1 1 1 41  3  8  o 2.997301  0.9101520     26.01633       15.61209  -9.898072      17.17965      1.441617       1.820304  
1 1 1 41  3  9  o 4.443653  1.061656      26.36727       17.09268  51.84149       17.10717      -1.745533      2.123312  
1 1 1 41  3  11 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  5  0  o 8.304935  1.024119      100.7895       22.40534  79.75861       24.11348      1.505395       2.048239  
1 1 1 41  5  1  o 5.172140  1.171931      27.99112       21.47271  52.63864       19.91834      -1.703091      2.343863  
1 1 1 41  5  2  o 3.178586  1.011056      10.22565       19.98351  0.2004765      18.34823      0.4485388      2.022113  
1 1 1 41  5  3  o 3.381449  1.029516      0.1204118      18.18591  22.70954       19.17829      -1.018342      2.059032  
1 1 1 41  5  4  o 3.612698  1.076819      15.66991       17.81632  18.96740       19.85503      -0.1801398     2.153638  
1 1 1 41  5  5  o 3.091895  0.9786424     12.78601       18.14574  2.336446       17.34795      0.4429087      1.957285  
1 1 1 41  5  6  o 6.632675  1.015869      68.69108       19.28345  61.33853       17.78834      0.3098950      2.031738  
1 1 1 41  5  7  o 2.301958  0.7856816     -0.5945517     16.08931  -18.43954      15.20885      0.5225975      1.571363  
1 1 1 41  5  8  o 4.206114  1.092873      33.89624       16.50912  36.51261       17.65583      -0.6279540E-01 2.185746  
1 1 1 41  5  9  o 3.289174  0.9868900     23.34025       15.25581  19.61613       17.01708      0.2475739      1.973780  
1 1 1 41  5  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  7  0  o 3.300530  1.058168      7.937837       20.25550  7.286461       22.56195      -0.5267834E-01 2.116336  
1 1 1 41  7  1  o 4.500957  1.208954      34.48013       21.78427  34.54575       20.72856      -0.4776225E-01 2.417909  
1 1 1 41  7  2  o 3.864325  1.026944      50.74345       21.07437  -13.65933      18.94314      2.955532       2.053887  
1 1 1 41  7  3  o 4.383772  1.164783      24.95076       19.65650  41.65509       20.38540      -0.9495441     2.329566  
1 1 1 41  7  4  o 2.531751  0.8673963     -21.20476      18.59623  -3.351043      20.11097      -0.4940699     1.734793  
1 1 1 41  7  5  f 2.820251  0.9273680     1.439012       18.00792  2.502788       17.77281      -0.2453002E-01 1.854736  
1 1 1 41  7  6  o 5.080371  1.068782      29.60881       19.45528  59.39508       17.51308      -2.290858      2.137564  
1 1 1 41  7  7  o 2.654819  0.8851210     2.334707       18.19118  1.803706       16.41133      0.7934938E-01  1.770242  
1 1 1 41  7  8  o 2.569785  0.8609645     6.372088       16.77516  -0.9481455     16.74776      0.2157407      1.721929  
1 1 1 41  7  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  7  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  9  0  o 4.653857  1.262266      41.88012       22.01866  46.19326       24.76207      -0.4116984E-01 2.524532  
1 1 1 41  9  1  o 3.179917  1.032380      21.60415       22.21334  -4.288507      21.56253      0.8165440      2.064759  
1 1 1 41  9  2  o 2.834347  0.9514152     11.91086       22.31285  -13.82390      19.96439      0.7562562      1.902830  
1 1 1 41  9  3  o 2.835669  0.9490778     10.07061       20.53852  -10.78707      20.64930      0.5480732      1.898156  
1 1 1 41  9  4  o 3.363312  1.040453      35.20244       20.09196  -6.181932      23.41791      1.396303       2.080906  
1 1 1 41  9  5  o 3.057827  0.9883589     10.31753       19.44114  13.80951       18.83678      -0.1129076     1.976718  
1 1 1 41  9  6  o 2.364559  0.8198897     -12.85262      20.04139  -9.124886      17.46769      0.4366112E-01  1.639779  
1 1 1 41  9  7  o 2.504845  0.8442525     22.37480       19.77515  -19.33043      17.04991      1.127721       1.688505  
1 1 1 41  9  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  11 0  o 3.365152  1.113719      2.112597       25.46728  47.12103       29.82093      -1.089810      2.227439  
1 1 1 41  11 1  o 3.041608  1.020369      9.471356       24.17840  9.334309       23.10067      0.1886647E-01  2.040737  
1 1 1 41  11 2  o 3.315454  1.066020      7.576578       23.24460  32.64608       22.22186      -0.7973608     2.132041  
1 1 1 41  11 3  o 3.140274  1.034819      13.12403       22.66061  19.56576       22.35358      -0.1824741     2.069637  
1 1 1 41  11 4  o 2.665592  0.9171790     -1.967600      22.07233  0.4404563      22.11758      -0.4972079E-01 1.834358  
1 1 1 41  11 6  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 41  13 0  o 3.598250  1.198043      45.85391       28.72851  61.54548       34.70919      -0.9187964E-01 2.396086  
1 1 1 42  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  0  6  o 3.788602  2.393858      50.30170       38.72470  50.30170       38.72470      ?              ?         
1 1 1 42  0  7  o 1.973644  1.343773      -0.5757958     16.25317  -0.5757958     16.25317      ?              ?         
1 1 1 42  0  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  2  0  o 3.624355  1.085322      34.13085       21.67993  -5.786913      21.53823      1.598035       2.170645  
1 1 1 42  2  1  o 4.900574  1.204261      35.01715       20.41314  43.83130       20.66920      -0.5547268     2.408523  
1 1 1 42  2  2  o 2.942416  0.9791813     -7.154524      21.01165  -0.2605001     20.97983      -0.1883253     1.958363  
1 1 1 42  2  3  o 3.563966  1.087134      16.98036       20.13477  15.44728       19.77762      0.7133581E-01  2.174268  
1 1 1 42  2  4  o 3.021596  0.9540409     21.97587       18.27351  -18.22449      19.85413      1.299773       1.908082  
1 1 1 42  2  5  o 3.660075  1.071245      9.248014       19.32843  32.84929       19.02943      -1.130144      2.142490  
1 1 1 42  2  6  o 3.517392  1.001302      -9.887657      18.08093  47.43117       20.56980      -2.446456      2.002603  
1 1 1 42  2  7  o 3.382477  1.086662      11.91625       22.39784  32.34506       23.62092      -0.6508720     2.173324  
1 1 1 42  2  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  2  10 x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  4  0  o 2.862197  0.9666929     -6.741592      21.11306  -9.533442      22.85654      -0.1973921E-01 1.933386  
1 1 1 42  4  1  o 3.333320  1.058010      7.085372       20.77090  12.45320       20.76332      -0.1942518     2.116020  
1 1 1 42  4  2  o 3.083938  1.009245      2.250953       21.57499  3.489085       20.09047      0.1985340E-01  2.018490  
1 1 1 42  4  3  o 3.630203  1.099281      15.47197       21.00357  22.26858       19.56772      -0.2917562     2.198563  
1 1 1 42  4  4  o 3.601251  1.088617      10.86892       18.81680  31.25927       21.51216      -0.8936043     2.177235  
1 1 1 42  4  5  f 3.517495  1.074894      19.69996       19.50434  20.17612       19.64843      -0.2003465E-01 2.149789  
1 1 1 42  4  6  o 3.963622  1.096953      25.56226       18.69164  34.51545       17.63420      -0.5746581     2.193907  
1 1 1 42  4  7  o 2.758766  0.9035600     9.829905       17.11412  2.887522       16.41602      0.2567564      1.807120  
1 1 1 42  4  8  o 3.239787  0.9805031     7.778493       17.31509  34.31265       17.34659      -1.185366      1.961006  
1 1 1 42  4  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  6  0  o 3.167500  1.045854      2.350435       21.99868  8.241887       24.30966      -0.2308590     2.091709  
1 1 1 42  6  1  o 2.453026  0.8581272     -27.19452      22.58494  -24.07648      21.49854      0.9079874E-02  1.716254  
1 1 1 42  6  2  o 2.926790  0.9341758     -41.20682      22.49080  27.16829       20.05192      -1.703238      1.868352  
1 1 1 42  6  3  o 3.018115  0.9934970     11.38892       20.83847  -1.917443      20.72002      0.3989886      1.986994  
1 1 1 42  6  4  o 2.816650  0.9475985     -2.791474      19.80008  1.639652       21.55309      -0.1782947     1.895197  
1 1 1 42  6  5  o 3.359402  0.9952308     -7.080908      19.39630  39.55822       19.10913      -1.875154      1.990462  
1 1 1 42  6  6  o 3.011580  0.9646740     -0.8121336     19.85274  22.99661       17.73366      -0.7970484     1.929348  
1 1 1 42  6  7  o 3.669050  0.9661621     -6.654364      19.63788  51.74139       17.53941      -2.687192      1.932324  
1 1 1 42  6  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  6  9  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  8  0  o 3.830113  1.144570      49.33279       23.18214  5.032857       25.92853      1.664700       2.289140  
1 1 1 42  8  1  o 4.857810  1.275888      41.16416       24.88074  64.40454       23.98250      -1.316671      2.551777  
1 1 1 42  8  2  o 3.319085  1.067482      8.515103       23.61014  23.41186       21.23417      -0.4651186     2.134964  
1 1 1 42  8  3  o 2.859627  0.9643898     5.524726       21.59634  -1.035271      21.81173      0.1546664      1.928780  
1 1 1 42  8  4  o 3.214041  1.041537      23.59338       20.99096  9.973551       22.48184      0.4281316      2.083073  
1 1 1 42  8  5  o 3.151655  1.009401      4.381567       20.46710  30.98894       20.24723      -0.9004893     2.018802  
1 1 1 42  8  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 42  10 0  o 3.163959  1.066927      29.66907       25.75797  1.816155       29.04593      0.5838699      2.133854  
1 1 1 42  10 5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 43  1  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 43  3  0  o 3.536983  1.124878      30.52759       23.87827  5.549532       24.90670      0.8001153      2.249755  
1 1 1 43  3  1  f 3.247345  1.057290      13.85666       22.45056  6.818963       22.47046      0.2147576      2.114580  
1 1 1 43  3  2  o 3.673211  1.108240      43.59257       22.79726  1.389247       22.85564      1.601732       2.216480  
1 1 1 43  3  3  o 3.428620  1.089005      11.01931       22.45004  25.49872       22.11809      -0.5002791     2.178010  
1 1 1 43  3  4  o 2.761988  0.9346014     0.7205266      20.92790  -3.564970      20.52586      0.1189244      1.869203  
1 1 1 43  3  5  o 3.039598  0.9917967     -4.282252      21.28384  25.89750       20.74210      -0.8968052     1.983593  
1 1 1 43  3  8  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 43  5  0  o 2.914671  0.9943314     -3.290232      23.37473  -1.104122      25.82573      -0.1195846     1.988663  
1 1 1 43  5  1  o 2.818321  0.9647148     -33.13411      27.27799  11.87801       23.01721      -0.6980844     1.929430  
1 1 1 43  5  4  o 6.254248  0.9367074     133.5416       23.66499  0.7711228      24.72776      6.750154       1.873415  
1 1 1 43  5  5  o 2.355526  0.8259228     -22.80173      20.75037  -10.23631      20.92372      -0.2155502     1.651846  
1 1 1 43  5  6  o 3.906036  1.084885      70.57435       22.79741  8.281024       20.35116      2.565376       2.169770  
1 1 1 43  5  7  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  0  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  1  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  2  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  3  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  4  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  5  x ?         ?             ?              ?         ?              ?             ?              ?         
1 1 1 44  0  6  x ?         ?             ?              ?         ?              ?             ?              ?         
# 
#END OF REFLECTIONS
